# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/fa6c4d86-d8d3-4136-bc7c-9acddf2df665/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 KNaLi2(SO4)2 / P2_12_12_1 (19) / materials id 14484](https://mdr.nims.go.jp/datasets/7a1d3b80-004f-4db9-a619-7fa9b83aa06d) ## 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: "P2_12_12_1" number: 19 Hall_symbol: "P 2ac 2ab"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.924078910000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.772474740000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.960672800000001 ] # c points: - symbol: Li # 1 coordinates: [ 0.006634430000000, 0.745672310000000, 0.909666540000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.506634430000000, 0.754327690000000, 0.090333460000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.993365570000000, 0.245672310000000, 0.590333460000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.493365570000000, 0.254327690000000, 0.409666540000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.036068710000000, 0.100788680000000, 0.860371370000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.536068710000000, 0.399211320000000, 0.139628630000000 ] mass: 6.941000 - symbol: Li # 7 coordinates: [ 0.963931290000000, 0.600788680000000, 0.639628630000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.463931290000000, 0.899211320000000, 0.360371370000000 ] mass: 6.941000 - symbol: O # 9 coordinates: [ 0.194992910000000, 0.462563200000000, 0.576441660000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.694992910000000, 0.037436800000000, 0.423558340000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.805007090000000, 0.962563200000000, 0.923558340000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.305007090000000, 0.537436800000000, 0.076441660000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.517924420000000, 0.430150140000000, 0.481443700000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.017924420000000, 0.069849860000000, 0.518556300000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.482075580000000, 0.930150140000000, 0.018556300000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.982075580000000, 0.569849860000000, 0.981443700000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.632257080000000, 0.609690760000000, 0.581100420000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.132257080000000, 0.890309240000000, 0.418899580000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.367742920000000, 0.109690760000000, 0.918899580000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.867742920000000, 0.390309240000000, 0.081100420000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.607920220000000, 0.299043360000000, 0.595648910000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.107920220000000, 0.200956640000000, 0.404351090000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.392079780000000, 0.799043360000000, 0.904351090000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.892079780000000, 0.700956640000000, 0.095648910000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.631981200000000, 0.379715530000000, 0.331701170000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.131981200000000, 0.120284470000000, 0.668298830000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.368018800000000, 0.879715530000000, 0.168298830000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.868018800000000, 0.620284470000000, 0.831701170000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.868387830000000, 0.308630050000000, 0.828392900000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.368387830000000, 0.191369950000000, 0.171607100000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.131612170000000, 0.808630050000000, 0.671607100000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.631612170000000, 0.691369950000000, 0.328392900000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.268575650000000, 0.468103940000000, 0.789807480000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.768575650000000, 0.031896060000000, 0.210192520000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.731424350000000, 0.968103940000000, 0.710192520000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.231424350000000, 0.531896060000000, 0.289807480000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.849729710000000, 0.471742950000000, 0.720324370000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.349729710000000, 0.028257050000000, 0.279675630000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.150270290000000, 0.971742950000000, 0.779675630000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.650270290000000, 0.528257050000000, 0.220324370000000 ] mass: 15.999400 - symbol: Na # 41 coordinates: [ 0.016273080000000, 0.251862160000000, 0.274973830000000 ] mass: 22.989769 - symbol: Na # 42 coordinates: [ 0.983726920000000, 0.751862160000000, 0.225026170000000 ] mass: 22.989769 - symbol: Na # 43 coordinates: [ 0.483726920000000, 0.748137840000000, 0.774973830000000 ] mass: 22.989769 - symbol: Na # 44 coordinates: [ 0.516273080000000, 0.248137840000000, 0.725026170000000 ] mass: 22.989769 - symbol: S # 45 coordinates: [ 0.967394880000000, 0.466940540000000, 0.792322810000000 ] mass: 32.065000 - symbol: S # 46 coordinates: [ 0.532605120000000, 0.533059460000000, 0.292322810000000 ] mass: 32.065000 - symbol: S # 47 coordinates: [ 0.467394880000000, 0.033059460000000, 0.207677190000000 ] mass: 32.065000 - symbol: S # 48 coordinates: [ 0.032605120000000, 0.966940540000000, 0.707677190000000 ] mass: 32.065000 - symbol: S # 49 coordinates: [ 0.009273190000000, 0.549272690000000, 0.058906870000000 ] mass: 32.065000 - symbol: S # 50 coordinates: [ 0.509273190000000, 0.950727310000000, 0.941093130000000 ] mass: 32.065000 - symbol: S # 51 coordinates: [ 0.990726810000000, 0.049272690000000, 0.441093130000000 ] mass: 32.065000 - symbol: S # 52 coordinates: [ 0.490726810000000, 0.450727310000000, 0.558906870000000 ] mass: 32.065000 - symbol: K # 53 coordinates: [ 0.498498520000000, 0.945324260000000, 0.571954830000000 ] mass: 39.098300 - symbol: K # 54 coordinates: [ 0.998498520000000, 0.554675740000000, 0.428045170000000 ] mass: 39.098300 - symbol: K # 55 coordinates: [ 0.501501480000000, 0.445324260000000, 0.928045170000000 ] mass: 39.098300 - symbol: K # 56 coordinates: [ 0.001501480000000, 0.054675740000000, 0.071954830000000 ] mass: 39.098300 reciprocal_lattice: # without 2pi - [ 0.203083666666910, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.128659150843377, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.052740744516197 ] # c*unit_cell: lattice: - [ 4.924078910000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.772474740000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.960672800000001 ] # c points: - symbol: Li # 1 coordinates: [ 0.006634430000000, 0.745672310000000, 0.909666540000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.506634430000000, 0.754327690000000, 0.090333460000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.993365570000000, 0.245672310000000, 0.590333460000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.493365570000000, 0.254327690000000, 0.409666540000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.036068710000000, 0.100788680000000, 0.860371370000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.536068710000000, 0.399211320000000, 0.139628630000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.963931290000000, 0.600788680000000, 0.639628630000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.463931290000000, 0.899211320000000, 0.360371370000000 ] mass: 6.941000 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.194992910000000, 0.462563200000000, 0.576441660000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.694992910000000, 0.037436800000000, 0.423558340000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.805007090000000, 0.962563200000000, 0.923558340000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.305007090000000, 0.537436800000000, 0.076441660000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.517924420000000, 0.430150140000000, 0.481443700000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.017924420000000, 0.069849860000000, 0.518556300000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.482075580000000, 0.930150140000000, 0.018556300000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.982075580000000, 0.569849860000000, 0.981443700000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.632257080000000, 0.609690760000000, 0.581100420000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.132257080000000, 0.890309240000000, 0.418899580000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.367742920000000, 0.109690760000000, 0.918899580000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.867742920000000, 0.390309240000000, 0.081100420000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.607920220000000, 0.299043360000000, 0.595648910000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.107920220000000, 0.200956640000000, 0.404351090000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.392079780000000, 0.799043360000000, 0.904351090000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.892079780000000, 0.700956640000000, 0.095648910000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.631981200000000, 0.379715530000000, 0.331701170000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.131981200000000, 0.120284470000000, 0.668298830000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.368018800000000, 0.879715530000000, 0.168298830000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.868018800000000, 0.620284470000000, 0.831701170000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.868387830000000, 0.308630050000000, 0.828392900000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.368387830000000, 0.191369950000000, 0.171607100000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.131612170000000, 0.808630050000000, 0.671607100000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.631612170000000, 0.691369950000000, 0.328392900000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.268575650000000, 0.468103940000000, 0.789807480000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.768575650000000, 0.031896060000000, 0.210192520000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.731424350000000, 0.968103940000000, 0.710192520000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.231424350000000, 0.531896060000000, 0.289807480000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.849729710000000, 0.471742950000000, 0.720324370000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.349729710000000, 0.028257050000000, 0.279675630000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.150270290000000, 0.971742950000000, 0.779675630000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.650270290000000, 0.528257050000000, 0.220324370000000 ] mass: 15.999400 reduced_to: 40 - symbol: Na # 41 coordinates: [ 0.016273080000000, 0.251862160000000, 0.274973830000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 42 coordinates: [ 0.983726920000000, 0.751862160000000, 0.225026170000000 ] mass: 22.989769 reduced_to: 42 - symbol: Na # 43 coordinates: [ 0.483726920000000, 0.748137840000000, 0.774973830000000 ] mass: 22.989769 reduced_to: 43 - symbol: Na # 44 coordinates: [ 0.516273080000000, 0.248137840000000, 0.725026170000000 ] mass: 22.989769 reduced_to: 44 - symbol: S # 45 coordinates: [ 0.967394880000000, 0.466940540000000, 0.792322810000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.532605120000000, 0.533059460000000, 0.292322810000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.467394880000000, 0.033059460000000, 0.207677190000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.032605120000000, 0.966940540000000, 0.707677190000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 49 coordinates: [ 0.009273190000000, 0.549272690000000, 0.058906870000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.509273190000000, 0.950727310000000, 0.941093130000000 ] mass: 32.065000 reduced_to: 50 - symbol: S # 51 coordinates: [ 0.990726810000000, 0.049272690000000, 0.441093130000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 52 coordinates: [ 0.490726810000000, 0.450727310000000, 0.558906870000000 ] mass: 32.065000 reduced_to: 52 - symbol: K # 53 coordinates: [ 0.498498520000000, 0.945324260000000, 0.571954830000000 ] mass: 39.098300 reduced_to: 53 - symbol: K # 54 coordinates: [ 0.998498520000000, 0.554675740000000, 0.428045170000000 ] mass: 39.098300 reduced_to: 54 - symbol: K # 55 coordinates: [ 0.501501480000000, 0.445324260000000, 0.928045170000000 ] mass: 39.098300 reduced_to: 55 - symbol: K # 56 coordinates: [ 0.001501480000000, 0.054675740000000, 0.071954830000000 ] mass: 39.098300 reduced_to: 56supercell: lattice: - [ 9.848157820000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.772474740000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.960672800000001 ] # c points: - symbol: Li # 1 coordinates: [ 0.003317215000000, 0.745672310000000, 0.909666540000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.503317215000000, 0.745672310000000, 0.909666540000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.253317215000000, 0.754327690000000, 0.090333460000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.753317215000000, 0.754327690000000, 0.090333460000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 5 coordinates: [ 0.496682785000000, 0.245672310000000, 0.590333460000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.996682785000000, 0.245672310000000, 0.590333460000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 7 coordinates: [ 0.246682785000000, 0.254327690000000, 0.409666540000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.746682785000000, 0.254327690000000, 0.409666540000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 9 coordinates: [ 0.018034355000000, 0.100788680000000, 0.860371370000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.518034355000000, 0.100788680000000, 0.860371370000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 11 coordinates: [ 0.268034355000000, 0.399211320000000, 0.139628630000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.768034355000000, 0.399211320000000, 0.139628630000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 13 coordinates: [ 0.481965645000000, 0.600788680000000, 0.639628630000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.981965645000000, 0.600788680000000, 0.639628630000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 15 coordinates: [ 0.231965645000000, 0.899211320000000, 0.360371370000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 16 coordinates: [ 0.731965645000000, 0.899211320000000, 0.360371370000000 ] mass: 6.941000 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.097496455000000, 0.462563200000000, 0.576441660000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.597496455000000, 0.462563200000000, 0.576441660000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.347496455000000, 0.037436800000000, 0.423558340000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.847496455000000, 0.037436800000000, 0.423558340000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.402503545000000, 0.962563200000000, 0.923558340000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.902503545000000, 0.962563200000000, 0.923558340000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.152503545000000, 0.537436800000000, 0.076441660000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.652503545000000, 0.537436800000000, 0.076441660000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.258962210000000, 0.430150140000000, 0.481443700000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.758962210000000, 0.430150140000000, 0.481443700000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.008962210000000, 0.069849860000000, 0.518556300000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.508962210000000, 0.069849860000000, 0.518556300000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.241037790000000, 0.930150140000000, 0.018556300000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.741037790000000, 0.930150140000000, 0.018556300000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.491037790000000, 0.569849860000000, 0.981443700000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.991037790000000, 0.569849860000000, 0.981443700000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.316128540000000, 0.609690760000000, 0.581100420000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.816128540000000, 0.609690760000000, 0.581100420000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.066128540000000, 0.890309240000000, 0.418899580000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.566128540000000, 0.890309240000000, 0.418899580000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.183871460000000, 0.109690760000000, 0.918899580000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.683871460000000, 0.109690760000000, 0.918899580000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.433871460000000, 0.390309240000000, 0.081100420000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.933871460000000, 0.390309240000000, 0.081100420000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.303960110000000, 0.299043360000000, 0.595648910000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.803960110000000, 0.299043360000000, 0.595648910000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.053960110000000, 0.200956640000000, 0.404351090000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.553960110000000, 0.200956640000000, 0.404351090000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.196039890000000, 0.799043360000000, 0.904351090000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.696039890000000, 0.799043360000000, 0.904351090000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.446039890000000, 0.700956640000000, 0.095648910000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.946039890000000, 0.700956640000000, 0.095648910000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.315990600000000, 0.379715530000000, 0.331701170000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.815990600000000, 0.379715530000000, 0.331701170000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.065990600000000, 0.120284470000000, 0.668298830000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.565990600000000, 0.120284470000000, 0.668298830000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.184009400000000, 0.879715530000000, 0.168298830000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.684009400000000, 0.879715530000000, 0.168298830000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.434009400000000, 0.620284470000000, 0.831701170000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.934009400000000, 0.620284470000000, 0.831701170000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.434193915000000, 0.308630050000000, 0.828392900000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.934193915000000, 0.308630050000000, 0.828392900000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.184193915000000, 0.191369950000000, 0.171607100000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.684193915000000, 0.191369950000000, 0.171607100000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.065806085000000, 0.808630050000000, 0.671607100000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.565806085000000, 0.808630050000000, 0.671607100000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.315806085000000, 0.691369950000000, 0.328392900000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.815806085000000, 0.691369950000000, 0.328392900000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.134287825000000, 0.468103940000000, 0.789807480000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.634287825000000, 0.468103940000000, 0.789807480000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.384287825000000, 0.031896060000000, 0.210192520000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.884287825000000, 0.031896060000000, 0.210192520000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.365712175000000, 0.968103940000000, 0.710192520000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.865712175000000, 0.968103940000000, 0.710192520000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.115712175000000, 0.531896060000000, 0.289807480000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.615712175000000, 0.531896060000000, 0.289807480000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.424864855000000, 0.471742950000000, 0.720324370000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.924864855000000, 0.471742950000000, 0.720324370000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.174864855000000, 0.028257050000000, 0.279675630000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.674864855000000, 0.028257050000000, 0.279675630000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.075135145000000, 0.971742950000000, 0.779675630000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.575135145000000, 0.971742950000000, 0.779675630000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.325135145000000, 0.528257050000000, 0.220324370000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.825135145000000, 0.528257050000000, 0.220324370000000 ] mass: 15.999400 reduced_to: 79 - symbol: Na # 81 coordinates: [ 0.008136540000000, 0.251862160000000, 0.274973830000000 ] mass: 22.989769 reduced_to: 81 - symbol: Na # 82 coordinates: [ 0.508136540000000, 0.251862160000000, 0.274973830000000 ] mass: 22.989769 reduced_to: 81 - symbol: Na # 83 coordinates: [ 0.491863460000000, 0.751862160000000, 0.225026170000000 ] mass: 22.989769 reduced_to: 83 - symbol: Na # 84 coordinates: [ 0.991863460000000, 0.751862160000000, 0.225026170000000 ] mass: 22.989769 reduced_to: 83 - symbol: Na # 85 coordinates: [ 0.241863460000000, 0.748137840000000, 0.774973830000000 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 86 coordinates: [ 0.741863460000000, 0.748137840000000, 0.774973830000000 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 87 coordinates: [ 0.258136540000000, 0.248137840000000, 0.725026170000000 ] mass: 22.989769 reduced_to: 87 - symbol: Na # 88 coordinates: [ 0.758136540000000, 0.248137840000000, 0.725026170000000 ] mass: 22.989769 reduced_to: 87 - symbol: S # 89 coordinates: [ 0.483697440000000, 0.466940540000000, 0.792322810000000 ] mass: 32.065000 reduced_to: 89 - symbol: S # 90 coordinates: [ 0.983697440000000, 0.466940540000000, 0.792322810000000 ] mass: 32.065000 reduced_to: 89 - symbol: S # 91 coordinates: [ 0.266302560000000, 0.533059460000000, 0.292322810000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 92 coordinates: [ 0.766302560000000, 0.533059460000000, 0.292322810000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 93 coordinates: [ 0.233697440000000, 0.033059460000000, 0.207677190000000 ] mass: 32.065000 reduced_to: 93 - symbol: S # 94 coordinates: [ 0.733697440000000, 0.033059460000000, 0.207677190000000 ] mass: 32.065000 reduced_to: 93 - symbol: S # 95 coordinates: [ 0.016302560000000, 0.966940540000000, 0.707677190000000 ] mass: 32.065000 reduced_to: 95 - symbol: S # 96 coordinates: [ 0.516302560000000, 0.966940540000000, 0.707677190000000 ] mass: 32.065000 reduced_to: 95 - symbol: S # 97 coordinates: [ 0.004636595000000, 0.549272690000000, 0.058906870000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 98 coordinates: [ 0.504636595000000, 0.549272690000000, 0.058906870000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 99 coordinates: [ 0.254636595000000, 0.950727310000000, 0.941093130000000 ] mass: 32.065000 reduced_to: 99 - symbol: S # 100 coordinates: [ 0.754636595000000, 0.950727310000000, 0.941093130000000 ] mass: 32.065000 reduced_to: 99 - symbol: S # 101 coordinates: [ 0.495363405000000, 0.049272690000000, 0.441093130000000 ] mass: 32.065000 reduced_to: 101 - symbol: S # 102 coordinates: [ 0.995363405000000, 0.049272690000000, 0.441093130000000 ] mass: 32.065000 reduced_to: 101 - symbol: S # 103 coordinates: [ 0.245363405000000, 0.450727310000000, 0.558906870000000 ] mass: 32.065000 reduced_to: 103 - symbol: S # 104 coordinates: [ 0.745363405000000, 0.450727310000000, 0.558906870000000 ] mass: 32.065000 reduced_to: 103 - symbol: K # 105 coordinates: [ 0.249249260000000, 0.945324260000000, 0.571954830000000 ] mass: 39.098300 reduced_to: 105 - symbol: K # 106 coordinates: [ 0.749249260000000, 0.945324260000000, 0.571954830000000 ] mass: 39.098300 reduced_to: 105 - symbol: K # 107 coordinates: [ 0.499249260000000, 0.554675740000000, 0.428045170000000 ] mass: 39.098300 reduced_to: 107 - symbol: K # 108 coordinates: [ 0.999249260000000, 0.554675740000000, 0.428045170000000 ] mass: 39.098300 reduced_to: 107 - symbol: K # 109 coordinates: [ 0.250750740000000, 0.445324260000000, 0.928045170000000 ] mass: 39.098300 reduced_to: 109 - symbol: K # 110 coordinates: [ 0.750750740000000, 0.445324260000000, 0.928045170000000 ] mass: 39.098300 reduced_to: 109 - symbol: K # 111 coordinates: [ 0.000750740000000, 0.054675740000000, 0.071954830000000 ] mass: 39.098300 reduced_to: 111 - symbol: K # 112 coordinates: [ 0.500750740000000, 0.054675740000000, 0.071954830000000 ] mass: 39.098300 reduced_to: 111displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0486880100000000, -0.0032065400000000, -0.0041392100000000 ] - [ 0.0028489100000000, -0.0003162900000000, 0.0000328900000000 ] - [ 0.0000200600000000, -0.0007287100000000, 0.0011938500000000 ] - [ 0.0000251600000000, 0.0005220600000000, -0.0012588200000000 ] - [ 0.0001822100000000, -0.0000248700000000, -0.0001728200000000 ] - [ 0.0000449000000000, 0.0000559900000000, -0.0000885600000000 ] - [ 0.0001269700000000, 0.0000354400000000, 0.0002185400000000 ] - [ 0.0001316500000000, 0.0000480600000000, 0.0001897700000000 ] - [ -0.0033884200000000, 0.0005265000000000, 0.0002652800000000 ] - [ 0.0019804700000000, 0.0002483600000000, 0.0001677700000000 ] - [ 0.0001563600000000, 0.0000836000000000, -0.0002059400000000 ] - [ 0.0001363900000000, -0.0000532700000000, -0.0005126900000000 ] - [ -0.0000351800000000, 0.0000377000000000, -0.0004344600000000 ] - [ -0.0003241100000000, -0.0001506800000000, -0.0000819600000000 ] - [ -0.0001376900000000, -0.0000318400000000, 0.0004592000000000 ] - [ -0.0001404300000000, -0.0000138000000000, 0.0003629700000000 ] - [ -0.0005863400000000, 0.0000763000000000, -0.0001624100000000 ] - [ -0.0008309700000000, 0.0000859500000000, -0.0001060300000000 ] - [ -0.0007863200000000, -0.0000889000000000, 0.0000423000000000 ] - [ -0.0006855300000000, -0.0000850300000000, 0.0000750500000000 ] - [ -0.0058416000000000, -0.0027574300000000, -0.0002716100000000 ] - [ 0.0059782900000000, -0.0039905700000000, -0.0001965900000000 ] - [ 0.0028814600000000, 0.0002269600000000, 0.0005202900000000 ] - [ -0.0004812900000000, -0.0001638000000000, 0.0000069200000000 ] - [ -0.0005000700000000, -0.0003963800000000, -0.0005915400000000 ] - [ -0.0005598600000000, -0.0003989500000000, -0.0006785900000000 ] - [ -0.0005071700000000, 0.0003769200000000, 0.0005048000000000 ] - [ -0.0005699100000000, 0.0003797300000000, 0.0005018400000000 ] - [ -0.0009295400000000, -0.0028259700000000, -0.0041716100000000 ] - [ -0.0010725000000000, 0.0000989600000000, 0.0034781600000000 ] - [ -0.0007412100000000, 0.0005121200000000, -0.0007344300000000 ] - [ 0.0038858300000000, 0.0013151000000000, -0.0014446600000000 ] - [ 0.0001583500000000, 0.0008230500000000, 0.0003769600000000 ] - [ 0.0000631600000000, 0.0007787500000000, 0.0002267000000000 ] - [ 0.0001649400000000, -0.0008141400000000, -0.0003946700000000 ] - [ 0.0001035300000000, -0.0007948500000000, -0.0003672500000000 ] - [ 0.0004951300000000, -0.0045941200000000, -0.0008502900000000 ] - [ -0.0027155600000000, 0.0032081100000000, -0.0006203100000000 ] - [ -0.0006189400000000, -0.0010190300000000, 0.0002918300000000 ] - [ 0.0001236400000000, -0.0004038100000000, 0.0002699500000000 ] - [ -0.0001941800000000, -0.0008169600000000, 0.0003450000000000 ] - [ -0.0003099900000000, -0.0007795300000000, 0.0001622700000000 ] - [ -0.0001905300000000, 0.0008042600000000, -0.0003654300000000 ] - [ -0.0002592100000000, 0.0007865200000000, -0.0003353100000000 ] - [ 0.0187313300000000, -0.0007769600000000, -0.0032501800000000 ] - [ -0.0042488800000000, 0.0011668300000000, 0.0004538400000000 ] - [ -0.0004842300000000, 0.0012041300000000, 0.0002332100000000 ] - [ 0.0009828900000000, 0.0003183900000000, 0.0005553700000000 ] - [ 0.0001495200000000, -0.0000663000000000, -0.0002491800000000 ] - [ 0.0001616400000000, -0.0000834900000000, -0.0001681800000000 ] - [ 0.0004487200000000, -0.0001468400000000, 0.0006985100000000 ] - [ -0.0000748700000000, 0.0000661300000000, 0.0000606000000000 ] - [ -0.0000910500000000, -0.0002295400000000, -0.0003617500000000 ] - [ -0.0002321700000000, 0.0000390500000000, 0.0005309500000000 ] - [ -0.0016247500000000, 0.0008881100000000, 0.0006374600000000 ] - [ 0.0073623100000000, 0.0041487400000000, 0.0069837000000000 ] - [ -0.0007363300000000, -0.0003045600000000, 0.0003841900000000 ] - [ 0.0012064800000000, -0.0018169200000000, -0.0006793800000000 ] - [ 0.0001604600000000, 0.0000941900000000, -0.0000701700000000 ] - [ 0.0000496900000000, 0.0001730600000000, 0.0002861000000000 ] - [ 0.0002580000000000, 0.0000571500000000, 0.0004915900000000 ] - [ -0.0003818800000000, -0.0000814200000000, 0.0000578300000000 ] - [ -0.0001182300000000, 0.0001423100000000, -0.0002260000000000 ] - [ -0.0001073400000000, 0.0001429600000000, -0.0001484900000000 ] - [ 0.0047337700000000, -0.0004079700000000, 0.0001012600000000 ] - [ -0.0011770400000000, -0.0001604600000000, -0.0002952500000000 ] - [ 0.0004473500000000, 0.0000828100000000, 0.0001029400000000 ] - [ 0.0007214300000000, 0.0001672800000000, 0.0003118700000000 ] - [ -0.0013306800000000, -0.0002048400000000, 0.0004405500000000 ] - [ 0.0004903500000000, 0.0000361900000000, 0.0001089300000000 ] - [ -0.0005441600000000, 0.0001304200000000, -0.0002943300000000 ] - [ -0.0006418100000000, 0.0001278400000000, -0.0002408300000000 ] - [ -0.0001368400000000, -0.0001844700000000, 0.0005341300000000 ] - [ 0.0005622600000000, -0.0014926000000000, -0.0017923600000000 ] - [ 0.0002601800000000, 0.0002519500000000, -0.0005052300000000 ] - [ 0.0001799700000000, 0.0003261100000000, -0.0000467500000000 ] - [ 0.0013915900000000, -0.0006342900000000, 0.0012782500000000 ] - [ -0.0009840700000000, -0.0001963600000000, -0.0006345400000000 ] - [ -0.0001910700000000, 0.0002885900000000, 0.0000645800000000 ] - [ -0.0002061800000000, 0.0002880100000000, 0.0002618600000000 ] - [ -0.0001146700000000, 0.0000892700000000, 0.0001268800000000 ] - [ 0.0000748500000000, 0.0000820200000000, 0.0001281200000000 ] - [ 0.0001527500000000, 0.0000630500000000, -0.0000391900000000 ] - [ -0.0001282900000000, 0.0000430700000000, -0.0001121800000000 ] - [ 0.0008775300000000, -0.0004632000000000, -0.0027448600000000 ] - [ 0.0012189800000000, 0.0000085700000000, 0.0020871400000000 ] - [ -0.0000777400000000, 0.0000889400000000, -0.0003851400000000 ] - [ 0.0002093100000000, 0.0000008100000000, 0.0002347700000000 ] - [ 0.0024319300000000, -0.0006236900000000, -0.0011761100000000 ] - [ -0.0060147000000000, 0.0040344700000000, 0.0023838800000000 ] - [ -0.0000195500000000, -0.0000059000000000, 0.0002041600000000 ] - [ 0.0000932700000000, 0.0000044200000000, -0.0000529400000000 ] - [ 0.0001368100000000, 0.0002963300000000, 0.0006737100000000 ] - [ -0.0001895200000000, -0.0002172800000000, -0.0003998900000000 ] - [ -0.0019392300000000, -0.0002928300000000, -0.0014385500000000 ] - [ 0.0012181000000000, -0.0000230700000000, 0.0003931800000000 ] - [ -0.0019938300000000, -0.0000890400000000, -0.0009203200000000 ] - [ 0.0018340600000000, -0.0002005900000000, -0.0000744800000000 ] - [ 0.0126662700000000, 0.0169930000000000, 0.0086693100000000 ] - [ 0.0120807500000000, -0.0096649100000000, -0.0050813600000000 ] - [ 0.0002342200000000, 0.0000286900000000, 0.0003513500000000 ] - [ 0.0000591100000000, 0.0000246400000000, 0.0003698600000000 ] - [ -0.0000414300000000, -0.0000078900000000, -0.0002572100000000 ] - [ 0.0003461200000000, -0.0000281100000000, -0.0000376900000000 ] - [ -0.0001219800000000, 0.0001482800000000, -0.0001980500000000 ] - [ -0.0001088200000000, 0.0001360500000000, -0.0001025400000000 ] - [ -0.0000860600000000, -0.0001520700000000, 0.0002017400000000 ] - [ -0.0001551600000000, -0.0001523600000000, 0.0002054200000000 ] - [ 0.0019106800000000, -0.0024975600000000, 0.0004569100000000 ] - [ 0.0021195700000000, 0.0026338200000000, -0.0003298200000000 ] - [ -0.0014040000000000, -0.0000930200000000, -0.0002892900000000 ] - [ 0.0013314800000000, -0.0000921500000000, 0.0000309600000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0472046900000000, 0.0023224400000000, 0.0046483700000000 ] - [ -0.0031222100000000, 0.0002510400000000, 0.0003030600000000 ] - [ -0.0002880100000000, 0.0007873700000000, -0.0015233900000000 ] - [ -0.0002830100000000, -0.0004597600000000, 0.0009281700000000 ] - [ 0.0000764000000000, -0.0000389500000000, -0.0001642600000000 ] - [ 0.0002130800000000, -0.0001187400000000, -0.0002480000000000 ] - [ 0.0001303700000000, 0.0000297600000000, 0.0001180600000000 ] - [ 0.0001262000000000, 0.0000173600000000, 0.0001456300000000 ] - [ 0.0036503700000000, -0.0005028800000000, 0.0004831400000000 ] - [ -0.0017083600000000, -0.0002024000000000, 0.0005793900000000 ] - [ 0.0001161700000000, -0.0001242600000000, -0.0005415900000000 ] - [ 0.0001454100000000, 0.0000098600000000, -0.0002346900000000 ] - [ -0.0002425600000000, 0.0000037500000000, -0.0003148800000000 ] - [ 0.0000459300000000, 0.0001911800000000, -0.0006614300000000 ] - [ -0.0001450300000000, -0.0000082900000000, 0.0002876400000000 ] - [ -0.0001408900000000, -0.0000266600000000, 0.0003846600000000 ] - [ -0.0008693400000000, 0.0000926100000000, -0.0000113800000000 ] - [ -0.0006329400000000, 0.0000836000000000, -0.0000649700000000 ] - [ -0.0006703400000000, -0.0000787200000000, 0.0001304600000000 ] - [ -0.0007734900000000, -0.0000835600000000, 0.0000969300000000 ] - [ 0.0073145100000000, 0.0029471000000000, 0.0004516700000000 ] - [ -0.0046942900000000, 0.0044352600000000, 0.0004264500000000 ] - [ -0.0014086000000000, -0.0003942200000000, -0.0006802400000000 ] - [ 0.0019322600000000, -0.0000032400000000, -0.0001828100000000 ] - [ -0.0005757600000000, -0.0003799900000000, -0.0005101100000000 ] - [ -0.0005166100000000, -0.0003772400000000, -0.0004234700000000 ] - [ -0.0005688800000000, 0.0004003100000000, 0.0005990500000000 ] - [ -0.0005064000000000, 0.0003980000000000, 0.0005981300000000 ] - [ 0.0019916300000000, 0.0020329900000000, 0.0052475800000000 ] - [ 0.0021255700000000, -0.0008943900000000, -0.0023758600000000 ] - [ 0.0018094900000000, 0.0002691000000000, -0.0003853100000000 ] - [ -0.0027778500000000, -0.0004506100000000, 0.0002616400000000 ] - [ 0.0000949600000000, 0.0007726700000000, 0.0003301500000000 ] - [ 0.0001882700000000, 0.0008167600000000, 0.0004786800000000 ] - [ 0.0000883500000000, -0.0007828700000000, -0.0003124400000000 ] - [ 0.0001487300000000, -0.0007999300000000, -0.0003390200000000 ] - [ -0.0007482900000000, 0.0061548600000000, 0.0001396400000000 ] - [ 0.0024204100000000, -0.0016268300000000, -0.0000920000000000 ] - [ 0.0003624100000000, -0.0005734900000000, 0.0004110600000000 ] - [ -0.0003907900000000, -0.0012080700000000, 0.0004622400000000 ] - [ -0.0002639000000000, -0.0007656100000000, 0.0002937000000000 ] - [ -0.0001504700000000, -0.0008023300000000, 0.0004741000000000 ] - [ -0.0002680800000000, 0.0007789800000000, -0.0002727500000000 ] - [ -0.0002026400000000, 0.0007909700000000, -0.0002987000000000 ] - [ -0.0168131200000000, -0.0003616200000000, 0.0025892400000000 ] - [ 0.0047362500000000, -0.0028150200000000, -0.0011144800000000 ] - [ 0.0009379500000000, 0.0003767400000000, 0.0004000400000000 ] - [ -0.0005350200000000, 0.0012737900000000, 0.0001051000000000 ] - [ 0.0001697600000000, -0.0001031700000000, -0.0000967400000000 ] - [ 0.0001556000000000, -0.0000806000000000, -0.0001799300000000 ] - [ -0.0001280100000000, 0.0003209400000000, -0.0003582800000000 ] - [ 0.0003918700000000, 0.0000984900000000, 0.0002908100000000 ] - [ -0.0002300700000000, 0.0000680200000000, 0.0007109100000000 ] - [ -0.0000940700000000, -0.0002053300000000, -0.0001858900000000 ] - [ 0.0012985600000000, -0.0007152800000000, -0.0009787000000000 ] - [ -0.0076112600000000, -0.0040789300000000, -0.0074530300000000 ] - [ 0.0009488100000000, 0.0000179700000000, -0.0006971700000000 ] - [ -0.0009892000000000, 0.0015114200000000, 0.0003627400000000 ] - [ 0.0000555400000000, 0.0001882400000000, 0.0003898000000000 ] - [ 0.0001645600000000, 0.0001090500000000, 0.0000329700000000 ] - [ -0.0004767400000000, -0.0003457200000000, -0.0001763400000000 ] - [ 0.0001613500000000, -0.0002033200000000, 0.0002633800000000 ] - [ -0.0000991000000000, 0.0001499700000000, -0.0000888400000000 ] - [ -0.0001129400000000, 0.0001425100000000, -0.0001691900000000 ] - [ -0.0035337200000000, 0.0001548100000000, -0.0005885000000000 ] - [ 0.0023490400000000, -0.0000908800000000, -0.0001904000000000 ] - [ 0.0007320200000000, 0.0001729100000000, 0.0003879300000000 ] - [ 0.0004546800000000, 0.0000898600000000, 0.0001791700000000 ] - [ 0.0001480400000000, -0.0000511300000000, 0.0000529100000000 ] - [ -0.0016820000000000, -0.0002921000000000, 0.0003818400000000 ] - [ -0.0006407000000000, 0.0001249600000000, -0.0001967000000000 ] - [ -0.0005429700000000, 0.0001279800000000, -0.0002497500000000 ] - [ 0.0005483600000000, -0.0003956400000000, -0.0001327800000000 ] - [ -0.0001484600000000, 0.0008960200000000, 0.0021574900000000 ] - [ 0.0001509800000000, 0.0003304200000000, 0.0001040600000000 ] - [ 0.0002281000000000, 0.0002575200000000, -0.0003497100000000 ] - [ -0.0018006000000000, 0.0000547900000000, -0.0016818200000000 ] - [ 0.0005710800000000, -0.0003869400000000, 0.0002487400000000 ] - [ -0.0002211700000000, 0.0002934200000000, 0.0003251900000000 ] - [ -0.0002101400000000, 0.0002946100000000, 0.0001355800000000 ] - [ 0.0000777900000000, 0.0000568800000000, 0.0000647200000000 ] - [ -0.0001113100000000, 0.0000636900000000, 0.0000649000000000 ] - [ -0.0001218200000000, 0.0000823200000000, -0.0001516400000000 ] - [ 0.0001587800000000, 0.0001013200000000, -0.0000825500000000 ] - [ -0.0008483200000000, 0.0003185300000000, 0.0029183600000000 ] - [ -0.0011856300000000, -0.0001563400000000, -0.0019126900000000 ] - [ 0.0000378400000000, -0.0002337500000000, 0.0001911000000000 ] - [ -0.0002406700000000, -0.0001445300000000, -0.0004271900000000 ] - [ -0.0024997700000000, 0.0006038600000000, 0.0011798000000000 ] - [ 0.0058859100000000, -0.0039763500000000, -0.0023233900000000 ] - [ 0.0000822500000000, 0.0000168600000000, -0.0001872000000000 ] - [ -0.0000263500000000, 0.0000067500000000, 0.0000677600000000 ] - [ -0.0002105300000000, -0.0002838500000000, -0.0006886300000000 ] - [ 0.0001222900000000, 0.0002299700000000, 0.0003856300000000 ] - [ 0.0020118000000000, 0.0002799200000000, 0.0014356400000000 ] - [ -0.0011547200000000, 0.0000125600000000, -0.0004206900000000 ] - [ 0.0016810500000000, 0.0001369800000000, 0.0002941000000000 ] - [ -0.0021286400000000, 0.0002385900000000, -0.0004680200000000 ] - [ -0.0128439700000000, -0.0169920000000000, -0.0081141800000000 ] - [ -0.0123100000000000, 0.0098326400000000, 0.0056969200000000 ] - [ 0.0000562700000000, 0.0000130900000000, 0.0002082100000000 ] - [ 0.0002308000000000, 0.0000170000000000, 0.0001911100000000 ] - [ 0.0003280500000000, -0.0000323400000000, -0.0003039200000000 ] - [ -0.0000514600000000, -0.0000130700000000, -0.0005221600000000 ] - [ -0.0001246500000000, 0.0001467700000000, -0.0001307100000000 ] - [ -0.0001352600000000, 0.0001591200000000, -0.0002261500000000 ] - [ -0.0001593500000000, -0.0001428500000000, 0.0001269700000000 ] - [ -0.0000902300000000, -0.0001422900000000, 0.0001233200000000 ] - [ -0.0016661900000000, 0.0027657800000000, -0.0001231700000000 ] - [ -0.0018837100000000, -0.0023718700000000, 0.0006613800000000 ] - [ 0.0016408000000000, -0.0002041000000000, -0.0000431600000000 ] - [ -0.0010907600000000, -0.0002010300000000, -0.0003563800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0024782200000000, -0.0523477600000000, -0.0054266100000000 ] - [ -0.0004163100000000, -0.0008271300000000, 0.0000699100000000 ] - [ -0.0006214300000000, -0.0010448700000000, 0.0002260400000000 ] - [ 0.0006279300000000, -0.0010460500000000, 0.0004793500000000 ] - [ 0.0001234700000000, 0.0000511800000000, -0.0002558400000000 ] - [ 0.0000432800000000, 0.0002091100000000, -0.0001619000000000 ] - [ 0.0001330500000000, 0.0000624700000000, 0.0001302300000000 ] - [ 0.0001452400000000, 0.0000737300000000, 0.0001430700000000 ] - [ 0.0007023000000000, 0.0067809500000000, -0.0025477800000000 ] - [ -0.0002540400000000, 0.0004493200000000, -0.0003547900000000 ] - [ -0.0003913700000000, 0.0004097600000000, -0.0006812100000000 ] - [ 0.0007877900000000, 0.0001588800000000, -0.0006487900000000 ] - [ -0.0001458700000000, -0.0000912000000000, -0.0004109100000000 ] - [ -0.0002916400000000, -0.0004279900000000, 0.0001342600000000 ] - [ -0.0001410600000000, -0.0000535200000000, 0.0003449000000000 ] - [ -0.0001165400000000, -0.0000685900000000, 0.0003673400000000 ] - [ -0.0005617200000000, 0.0000676300000000, -0.0001952800000000 ] - [ -0.0008294300000000, 0.0000871400000000, -0.0000533800000000 ] - [ -0.0007130500000000, -0.0000854400000000, 0.0001365700000000 ] - [ -0.0007112600000000, -0.0000858600000000, 0.0001396400000000 ] - [ -0.0001538100000000, -0.0001566200000000, 0.0002320500000000 ] - [ -0.0001464100000000, 0.0144094300000000, 0.0005671400000000 ] - [ 0.0036668300000000, -0.0002405500000000, 0.0031869900000000 ] - [ 0.0001603800000000, 0.0001461900000000, -0.0002016900000000 ] - [ -0.0004835800000000, -0.0003959700000000, -0.0005139200000000 ] - [ -0.0005610500000000, -0.0003942800000000, -0.0005596400000000 ] - [ -0.0005217700000000, 0.0003790200000000, 0.0007042300000000 ] - [ -0.0005346600000000, 0.0003814900000000, 0.0006669000000000 ] - [ -0.0001520700000000, -0.0002888300000000, -0.0010703100000000 ] - [ 0.0037325800000000, 0.0008593700000000, -0.0033906800000000 ] - [ 0.0005927600000000, 0.0008825500000000, -0.0009030800000000 ] - [ 0.0012866000000000, 0.0123849100000000, -0.0071705300000000 ] - [ 0.0001891000000000, 0.0008636500000000, 0.0003846600000000 ] - [ 0.0000396900000000, 0.0008308700000000, 0.0002417300000000 ] - [ 0.0001177700000000, -0.0007659600000000, -0.0002973200000000 ] - [ 0.0001180500000000, -0.0007703500000000, -0.0003135000000000 ] - [ -0.0020834300000000, -0.0004054300000000, -0.0007892400000000 ] - [ 0.0045235800000000, -0.0018790300000000, 0.0000443500000000 ] - [ 0.0000921700000000, -0.0008246700000000, 0.0001782000000000 ] - [ -0.0013534800000000, -0.0036682000000000, 0.0037214200000000 ] - [ -0.0001656500000000, -0.0008881700000000, 0.0003583300000000 ] - [ -0.0003264900000000, -0.0008720900000000, 0.0001956900000000 ] - [ -0.0002439400000000, 0.0007433100000000, -0.0002507000000000 ] - [ -0.0002446200000000, 0.0007465800000000, -0.0002710700000000 ] - [ 0.0020271500000000, 0.0028085900000000, -0.0007148900000000 ] - [ 0.0039117700000000, 0.0027763600000000, 0.0004907600000000 ] - [ 0.0002034700000000, 0.0011939700000000, 0.0001613700000000 ] - [ -0.0009267800000000, 0.0036349700000000, 0.0039589200000000 ] - [ 0.0002028100000000, -0.0001639800000000, -0.0000807200000000 ] - [ 0.0001436500000000, -0.0001713900000000, -0.0000245200000000 ] - [ 0.0002459400000000, -0.0008319600000000, 0.0014371700000000 ] - [ 0.0000857800000000, -0.0001749900000000, 0.0005208500000000 ] - [ -0.0000348600000000, 0.0000981200000000, 0.0000209600000000 ] - [ -0.0003246900000000, -0.0000976100000000, -0.0002275800000000 ] - [ -0.0001298800000000, 0.0006353500000000, 0.0001604500000000 ] - [ 0.0041643200000000, 0.0067118200000000, 0.0078483700000000 ] - [ 0.0002041400000000, -0.0006041600000000, 0.0000740200000000 ] - [ -0.0003390600000000, -0.0040004600000000, -0.0001058800000000 ] - [ 0.0001629700000000, -0.0000957300000000, 0.0001000100000000 ] - [ -0.0000469200000000, -0.0000262200000000, -0.0000029100000000 ] - [ -0.0000583100000000, 0.0009270000000000, 0.0010359800000000 ] - [ -0.0001905700000000, 0.0001441800000000, 0.0004656200000000 ] - [ -0.0000644500000000, 0.0002322100000000, -0.0000776800000000 ] - [ -0.0001335600000000, 0.0002367400000000, -0.0000223300000000 ] - [ 0.0021170400000000, -0.0020502200000000, -0.0019105200000000 ] - [ -0.0000860800000000, -0.0001495800000000, -0.0001487500000000 ] - [ 0.0008039300000000, 0.0001163600000000, 0.0001638800000000 ] - [ 0.0004407100000000, 0.0001233600000000, 0.0001434300000000 ] - [ -0.0006299700000000, -0.0001347500000000, 0.0005573400000000 ] - [ -0.0000910700000000, -0.0000413300000000, 0.0010209000000000 ] - [ -0.0004866800000000, 0.0001224100000000, -0.0001228700000000 ] - [ -0.0007266600000000, 0.0001316500000000, -0.0001664700000000 ] - [ 0.0002423100000000, -0.0002700700000000, 0.0003871800000000 ] - [ -0.0003661800000000, -0.0020091800000000, -0.0028764000000000 ] - [ 0.0002750400000000, 0.0002737700000000, -0.0002183100000000 ] - [ 0.0002143400000000, 0.0002515100000000, -0.0003331900000000 ] - [ 0.0000467300000000, -0.0004413000000000, 0.0036422100000000 ] - [ -0.0000135100000000, -0.0002472800000000, 0.0006002400000000 ] - [ -0.0000971100000000, 0.0003067600000000, 0.0003974100000000 ] - [ -0.0004304400000000, 0.0003005200000000, 0.0005942300000000 ] - [ -0.0000265500000000, 0.0001825100000000, -0.0000024300000000 ] - [ -0.0000336100000000, 0.0001356600000000, 0.0001214100000000 ] - [ -0.0000145700000000, -0.0000092100000000, -0.0000158200000000 ] - [ 0.0000006600000000, -0.0001433400000000, -0.0004354600000000 ] - [ -0.0002260900000000, -0.0013521900000000, -0.0002027200000000 ] - [ 0.0004776000000000, -0.0013635700000000, -0.0003462500000000 ] - [ -0.0002126800000000, 0.0005809100000000, -0.0000407800000000 ] - [ 0.0003243200000000, 0.0005488200000000, -0.0001069800000000 ] - [ 0.0004756900000000, -0.0001109800000000, -0.0006088100000000 ] - [ -0.0003877200000000, 0.0115689400000000, 0.0085534700000000 ] - [ -0.0001066600000000, -0.0000036000000000, -0.0002789500000000 ] - [ 0.0002571200000000, -0.0000056700000000, -0.0004718300000000 ] - [ -0.0002868300000000, 0.0001003900000000, 0.0001050100000000 ] - [ 0.0002288500000000, 0.0002474200000000, 0.0003800300000000 ] - [ -0.0013669200000000, -0.0005492800000000, -0.0043013500000000 ] - [ 0.0000315000000000, -0.0000457000000000, -0.0011141900000000 ] - [ -0.0009840900000000, 0.0008445200000000, -0.0132743800000000 ] - [ 0.0002028500000000, -0.0005066000000000, 0.0002451300000000 ] - [ 0.0076335200000000, 0.0031819200000000, 0.0030425000000000 ] - [ -0.0191774600000000, -0.0012901500000000, 0.0042721600000000 ] - [ 0.0001527700000000, 0.0000280600000000, 0.0001202900000000 ] - [ 0.0001561700000000, 0.0000269800000000, 0.0000799700000000 ] - [ -0.0001188700000000, 0.0000095300000000, -0.0003282000000000 ] - [ 0.0003607500000000, -0.0000133000000000, -0.0001846100000000 ] - [ -0.0000875300000000, 0.0001364500000000, -0.0003123400000000 ] - [ -0.0001227100000000, 0.0001353000000000, -0.0002976600000000 ] - [ -0.0001183100000000, -0.0001524900000000, 0.0001223200000000 ] - [ -0.0001320500000000, -0.0001532900000000, 0.0001207600000000 ] - [ -0.0031048600000000, 0.0020345500000000, -0.0000146000000000 ] - [ 0.0032162800000000, 0.0021457100000000, -0.0000755600000000 ] - [ 0.0002972900000000, 0.0008275400000000, 0.0018128200000000 ] - [ -0.0000628800000000, 0.0000997300000000, 0.0005039800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0030326400000000, 0.0519269100000000, 0.0054311000000000 ] - [ 0.0001506100000000, 0.0007688300000000, 0.0002644000000000 ] - [ 0.0003593200000000, 0.0011119300000000, -0.0005650100000000 ] - [ -0.0008894200000000, 0.0011109300000000, -0.0008156300000000 ] - [ 0.0001387300000000, -0.0001145000000000, -0.0000791700000000 ] - [ 0.0002178400000000, -0.0002710300000000, -0.0001736800000000 ] - [ 0.0001277300000000, 0.0000038500000000, 0.0002056500000000 ] - [ 0.0001154900000000, -0.0000075600000000, 0.0001922400000000 ] - [ -0.0004268800000000, -0.0066653000000000, 0.0032583600000000 ] - [ 0.0005275800000000, -0.0004089100000000, 0.0011048700000000 ] - [ 0.0006707500000000, -0.0004508300000000, -0.0000654900000000 ] - [ -0.0005083300000000, -0.0002005900000000, -0.0000978500000000 ] - [ -0.0001287500000000, 0.0001328800000000, -0.0003359300000000 ] - [ 0.0000162300000000, 0.0004682200000000, -0.0008794000000000 ] - [ -0.0001384900000000, 0.0000152100000000, 0.0004012100000000 ] - [ -0.0001619700000000, 0.0000299200000000, 0.0003801100000000 ] - [ -0.0008862700000000, 0.0001012400000000, 0.0000208700000000 ] - [ -0.0006235500000000, 0.0000822700000000, -0.0001199100000000 ] - [ -0.0007352700000000, -0.0000801400000000, 0.0000369500000000 ] - [ -0.0007387600000000, -0.0000807200000000, 0.0000334500000000 ] - [ 0.0016254200000000, 0.0003564200000000, -0.0000516900000000 ] - [ 0.0010150300000000, -0.0134601400000000, -0.0002331600000000 ] - [ -0.0022278100000000, 0.0000772300000000, -0.0033690900000000 ] - [ 0.0012921500000000, -0.0003133000000000, 0.0000297700000000 ] - [ -0.0005908800000000, -0.0003793500000000, -0.0005848200000000 ] - [ -0.0005128500000000, -0.0003809500000000, -0.0005399400000000 ] - [ -0.0005522200000000, 0.0003991100000000, 0.0003970100000000 ] - [ -0.0005397100000000, 0.0003971000000000, 0.0004280400000000 ] - [ 0.0012250500000000, -0.0004653600000000, 0.0021881000000000 ] - [ -0.0026420800000000, -0.0016323800000000, 0.0044844600000000 ] - [ 0.0004801700000000, -0.0001064700000000, -0.0002031300000000 ] - [ -0.0002491100000000, -0.0120177900000000, 0.0066658000000000 ] - [ 0.0000642900000000, 0.0007308200000000, 0.0003212500000000 ] - [ 0.0002143900000000, 0.0007643000000000, 0.0004637700000000 ] - [ 0.0001371400000000, -0.0008289100000000, -0.0004096800000000 ] - [ 0.0001362400000000, -0.0008223400000000, -0.0003931600000000 ] - [ 0.0017898700000000, 0.0020348700000000, 0.0000735100000000 ] - [ -0.0047888100000000, 0.0034783700000000, -0.0007561900000000 ] - [ -0.0003469900000000, -0.0007681500000000, 0.0005286400000000 ] - [ 0.0010926900000000, 0.0020672800000000, -0.0029988800000000 ] - [ -0.0002932300000000, -0.0006909400000000, 0.0002782200000000 ] - [ -0.0001318400000000, -0.0007069600000000, 0.0004396500000000 ] - [ -0.0002139200000000, 0.0008387300000000, -0.0003859900000000 ] - [ -0.0002165000000000, 0.0008291700000000, -0.0003614700000000 ] - [ -0.0015827400000000, -0.0043854200000000, 0.0000948800000000 ] - [ -0.0034419100000000, -0.0043337000000000, -0.0011229700000000 ] - [ 0.0002558300000000, 0.0003846100000000, 0.0004752600000000 ] - [ 0.0013885700000000, -0.0020624800000000, -0.0033383400000000 ] - [ 0.0001175800000000, 0.0000011700000000, -0.0002691200000000 ] - [ 0.0001755900000000, 0.0000135800000000, -0.0003277600000000 ] - [ 0.0000793300000000, 0.0010002700000000, -0.0010868700000000 ] - [ 0.0002340400000000, 0.0003378700000000, -0.0001704500000000 ] - [ -0.0002851800000000, -0.0002540000000000, 0.0003335700000000 ] - [ 0.0000047600000000, -0.0000617000000000, 0.0005779300000000 ] - [ -0.0001878700000000, -0.0004779200000000, -0.0005141600000000 ] - [ -0.0046342300000000, -0.0067165300000000, -0.0085577800000000 ] - [ 0.0000083700000000, 0.0003164200000000, -0.0003887100000000 ] - [ 0.0005599300000000, 0.0036867600000000, -0.0001919100000000 ] - [ 0.0000525000000000, 0.0003792000000000, 0.0002197900000000 ] - [ 0.0002643700000000, 0.0003081300000000, 0.0003231400000000 ] - [ -0.0001561000000000, -0.0012092000000000, -0.0007145100000000 ] - [ -0.0000252300000000, -0.0004278700000000, -0.0001479400000000 ] - [ -0.0001487700000000, 0.0000599600000000, -0.0002371000000000 ] - [ -0.0000822100000000, 0.0000480100000000, -0.0002965100000000 ] - [ -0.0009162100000000, 0.0017893400000000, 0.0014311300000000 ] - [ 0.0012697700000000, -0.0001049000000000, -0.0003414400000000 ] - [ 0.0003821700000000, 0.0001399100000000, 0.0003281600000000 ] - [ 0.0007469500000000, 0.0001333600000000, 0.0003470900000000 ] - [ -0.0005577900000000, -0.0001182200000000, -0.0000675600000000 ] - [ -0.0010988500000000, -0.0002121500000000, -0.0005272800000000 ] - [ -0.0007024200000000, 0.0001330300000000, -0.0003689600000000 ] - [ -0.0004597100000000, 0.0001243900000000, -0.0003246700000000 ] - [ 0.0001699800000000, -0.0003103500000000, 0.0000101800000000 ] - [ 0.0007872500000000, 0.0014106100000000, 0.0032504100000000 ] - [ 0.0001383900000000, 0.0003092500000000, -0.0001857900000000 ] - [ 0.0001973900000000, 0.0003322300000000, -0.0000663800000000 ] - [ -0.0004607000000000, -0.0001318000000000, -0.0040173700000000 ] - [ -0.0003981800000000, -0.0003328500000000, -0.0009981400000000 ] - [ -0.0003134500000000, 0.0002751100000000, -0.0000048700000000 ] - [ 0.0000188600000000, 0.0002828000000000, -0.0001964100000000 ] - [ -0.0000075600000000, -0.0000354200000000, 0.0001934000000000 ] - [ -0.0000007800000000, 0.0000113700000000, 0.0000696000000000 ] - [ 0.0000490400000000, 0.0001563200000000, -0.0001738400000000 ] - [ 0.0000340600000000, 0.0002902300000000, 0.0002461100000000 ] - [ 0.0002524600000000, 0.0012090400000000, 0.0004063400000000 ] - [ -0.0004384500000000, 0.0012168500000000, 0.0005441100000000 ] - [ 0.0001802300000000, -0.0007252300000000, -0.0001513100000000 ] - [ -0.0003582100000000, -0.0006911800000000, -0.0000877300000000 ] - [ -0.0005439300000000, 0.0001068000000000, 0.0006261300000000 ] - [ 0.0002547500000000, -0.0115280500000000, -0.0085981200000000 ] - [ 0.0001757400000000, 0.0000148800000000, 0.0002965300000000 ] - [ -0.0001874800000000, 0.0000172300000000, 0.0004897800000000 ] - [ 0.0002169800000000, -0.0000895100000000, -0.0001222300000000 ] - [ -0.0002998400000000, -0.0002344700000000, -0.0003968200000000 ] - [ 0.0014277200000000, 0.0005347100000000, 0.0042723100000000 ] - [ 0.0000381400000000, 0.0000357000000000, 0.0010982400000000 ] - [ 0.0006881600000000, -0.0008298700000000, 0.0127072400000000 ] - [ -0.0004970400000000, 0.0005511100000000, -0.0008054400000000 ] - [ -0.0078787100000000, -0.0033560300000000, -0.0025016000000000 ] - [ 0.0188696400000000, 0.0012614700000000, -0.0037142000000000 ] - [ 0.0001400400000000, 0.0000148900000000, 0.0004414500000000 ] - [ 0.0001359200000000, 0.0000156300000000, 0.0004812600000000 ] - [ 0.0004110600000000, -0.0000485200000000, -0.0002335100000000 ] - [ -0.0000669600000000, -0.0000266300000000, -0.0003759600000000 ] - [ -0.0001548100000000, 0.0001591500000000, -0.0000164500000000 ] - [ -0.0001202400000000, 0.0001605400000000, -0.0000308800000000 ] - [ -0.0001244500000000, -0.0001413400000000, 0.0002064700000000 ] - [ -0.0001106900000000, -0.0001402200000000, 0.0002079200000000 ] - [ 0.0033753700000000, -0.0017411900000000, 0.0003475500000000 ] - [ -0.0029959700000000, -0.0018531400000000, 0.0004054800000000 ] - [ -0.0000539500000000, -0.0011213700000000, -0.0021341500000000 ] - [ 0.0003040000000000, -0.0003936600000000, -0.0008343100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0042278900000000, -0.0047330300000000, -0.0433905000000000 ] - [ -0.0002660000000000, -0.0001274900000000, -0.0008451900000000 ] - [ 0.0009671500000000, 0.0006808800000000, 0.0003175500000000 ] - [ -0.0014930000000000, 0.0004296400000000, 0.0003166600000000 ] - [ 0.0001251600000000, 0.0000548900000000, 0.0002138900000000 ] - [ 0.0002092800000000, -0.0000373500000000, 0.0007920000000000 ] - [ 0.0000798000000000, 0.0000713500000000, 0.0008379800000000 ] - [ 0.0001071900000000, 0.0000581800000000, 0.0008472000000000 ] - [ 0.0000357400000000, -0.0017253200000000, -0.0023830800000000 ] - [ 0.0000130800000000, 0.0002064000000000, -0.0006552400000000 ] - [ 0.0008666600000000, -0.0003856200000000, 0.0003351500000000 ] - [ -0.0006852200000000, -0.0001248900000000, 0.0003339600000000 ] - [ -0.0001403800000000, 0.0000792100000000, -0.0001603700000000 ] - [ -0.0001139800000000, 0.0000726600000000, 0.0008797000000000 ] - [ -0.0001553800000000, 0.0000204000000000, 0.0010635700000000 ] - [ -0.0001528200000000, 0.0000449800000000, 0.0010499500000000 ] - [ -0.0001507200000000, 0.0000163000000000, -0.0009242700000000 ] - [ -0.0008953300000000, 0.0000568300000000, -0.0005419200000000 ] - [ -0.0008740000000000, -0.0001225400000000, -0.0005101700000000 ] - [ -0.0009742800000000, -0.0001330800000000, -0.0005973400000000 ] - [ 0.0003972300000000, 0.0003898500000000, 0.0011942800000000 ] - [ 0.0003155000000000, 0.0012541200000000, 0.0053854400000000 ] - [ -0.0024211000000000, 0.0005238000000000, -0.0029254000000000 ] - [ 0.0016304600000000, -0.0000648900000000, 0.0002665000000000 ] - [ -0.0003642000000000, -0.0005277000000000, -0.0018071100000000 ] - [ -0.0005776300000000, -0.0005236900000000, -0.0018644500000000 ] - [ -0.0006117900000000, 0.0002380500000000, -0.0009055600000000 ] - [ -0.0005865400000000, 0.0002708900000000, -0.0005743000000000 ] - [ -0.0010884700000000, -0.0010876700000000, 0.0039961500000000 ] - [ 0.0013374300000000, -0.0013084000000000, 0.0029896600000000 ] - [ 0.0006572300000000, 0.0002685500000000, 0.0007051600000000 ] - [ -0.0004585100000000, -0.0075219300000000, 0.0088437700000000 ] - [ 0.0002338200000000, 0.0006715600000000, -0.0001333200000000 ] - [ -0.0002688900000000, 0.0005291300000000, -0.0004126000000000 ] - [ 0.0002822500000000, -0.0010027200000000, -0.0010231100000000 ] - [ 0.0002520200000000, -0.0009577500000000, -0.0009169100000000 ] - [ 0.0002491300000000, 0.0004925500000000, 0.0015876100000000 ] - [ 0.0011923000000000, -0.0001809300000000, 0.0007081000000000 ] - [ -0.0002666500000000, -0.0008087800000000, 0.0006587300000000 ] - [ 0.0013996900000000, 0.0020879100000000, -0.0030267600000000 ] - [ -0.0000758800000000, -0.0006244500000000, -0.0002659400000000 ] - [ -0.0006448800000000, -0.0005343500000000, -0.0005410900000000 ] - [ -0.0000860100000000, 0.0010432000000000, -0.0011067400000000 ] - [ -0.0001148600000000, 0.0009873300000000, -0.0009807900000000 ] - [ -0.0016230000000000, -0.0005495100000000, 0.0048000500000000 ] - [ 0.0009525100000000, 0.0004282000000000, 0.0020918800000000 ] - [ 0.0000981000000000, 0.0008079600000000, 0.0005724400000000 ] - [ 0.0008890900000000, 0.0003919400000000, -0.0031068900000000 ] - [ 0.0000217300000000, 0.0002458100000000, -0.0009861100000000 ] - [ 0.0000922800000000, 0.0002804400000000, -0.0011159300000000 ] - [ 0.0002664100000000, 0.0010031500000000, -0.0018014400000000 ] - [ 0.0001827600000000, 0.0001312100000000, 0.0000895900000000 ] - [ -0.0006024800000000, -0.0006068400000000, -0.0006606900000000 ] - [ 0.0000599400000000, -0.0003633100000000, -0.0003463200000000 ] - [ -0.0002036100000000, 0.0004484900000000, 0.0008744000000000 ] - [ 0.0073233800000000, 0.0081622800000000, 0.0165347000000000 ] - [ -0.0000634200000000, -0.0005844900000000, 0.0008080800000000 ] - [ -0.0003001000000000, -0.0057528300000000, 0.0013304600000000 ] - [ -0.0002202100000000, 0.0004554400000000, -0.0005453000000000 ] - [ 0.0003087500000000, 0.0003291100000000, -0.0002977300000000 ] - [ 0.0000026300000000, -0.0003816000000000, -0.0012582300000000 ] - [ -0.0001425900000000, -0.0000713700000000, 0.0001250700000000 ] - [ -0.0002413700000000, -0.0000937000000000, -0.0008486000000000 ] - [ -0.0001571600000000, -0.0001165700000000, -0.0009669400000000 ] - [ 0.0034292900000000, -0.0029711100000000, -0.0014433400000000 ] - [ -0.0003142700000000, -0.0002773000000000, 0.0003202100000000 ] - [ 0.0002158900000000, 0.0000914300000000, -0.0002008300000000 ] - [ 0.0009838400000000, 0.0000662200000000, -0.0003351400000000 ] - [ -0.0000270300000000, -0.0000773400000000, 0.0002659600000000 ] - [ -0.0014244800000000, 0.0001845300000000, -0.0007258700000000 ] - [ -0.0007497300000000, 0.0001666100000000, -0.0008768400000000 ] - [ -0.0003995400000000, 0.0001523000000000, -0.0008265400000000 ] - [ 0.0004668700000000, -0.0003308900000000, 0.0007452400000000 ] - [ -0.0001032700000000, -0.0021408500000000, -0.0032601900000000 ] - [ 0.0003334000000000, 0.0003233100000000, -0.0013517100000000 ] - [ 0.0004972700000000, 0.0003370500000000, -0.0012253400000000 ] - [ -0.0002060100000000, 0.0012140400000000, -0.0035730000000000 ] - [ -0.0002405600000000, -0.0001759500000000, 0.0004887000000000 ] - [ -0.0001735400000000, 0.0002456700000000, -0.0009272900000000 ] - [ 0.0002953500000000, 0.0002704200000000, -0.0012959900000000 ] - [ -0.0000090000000000, 0.0000750200000000, 0.0008142600000000 ] - [ -0.0000290300000000, 0.0001252100000000, 0.0006064300000000 ] - [ 0.0000105800000000, 0.0000035900000000, 0.0002797600000000 ] - [ 0.0000413700000000, 0.0001646400000000, 0.0009617000000000 ] - [ -0.0027068500000000, -0.0003732200000000, 0.0007699500000000 ] - [ 0.0024134500000000, -0.0005047400000000, 0.0004522700000000 ] - [ -0.0009100100000000, 0.0000245900000000, 0.0001135500000000 ] - [ 0.0008420600000000, 0.0001025200000000, 0.0000672500000000 ] - [ 0.0007075300000000, 0.0000824000000000, -0.0016791100000000 ] - [ -0.0025491400000000, 0.0142187700000000, 0.0081316700000000 ] - [ 0.0002345500000000, -0.0000677300000000, 0.0018626100000000 ] - [ -0.0002929000000000, -0.0000639200000000, 0.0022497800000000 ] - [ 0.0004703200000000, 0.0001516900000000, 0.0018739700000000 ] - [ -0.0007035900000000, 0.0000681900000000, 0.0014690600000000 ] - [ 0.0015934900000000, -0.0005697400000000, 0.0052961300000000 ] - [ -0.0005339400000000, -0.0001681100000000, -0.0004790800000000 ] - [ 0.0013784400000000, -0.0052909400000000, 0.0153966800000000 ] - [ -0.0007253000000000, 0.0001928300000000, -0.0019564000000000 ] - [ 0.0027442400000000, 0.0009975800000000, -0.0057227500000000 ] - [ -0.0047018200000000, 0.0011938000000000, -0.0042954500000000 ] - [ 0.0001070800000000, 0.0000759500000000, 0.0020343900000000 ] - [ 0.0001611500000000, 0.0000973200000000, 0.0024341000000000 ] - [ -0.0005092200000000, 0.0000739600000000, 0.0016023700000000 ] - [ 0.0008103400000000, 0.0000609200000000, 0.0017474700000000 ] - [ -0.0004236400000000, 0.0000923700000000, 0.0005863300000000 ] - [ 0.0001088600000000, 0.0000858200000000, 0.0005497100000000 ] - [ -0.0000951100000000, -0.0002004600000000, 0.0008678300000000 ] - [ -0.0000839200000000, -0.0001951800000000, 0.0009390500000000 ] - [ 0.0006838000000000, -0.0002777100000000, -0.0025931600000000 ] - [ -0.0002245700000000, -0.0002844000000000, -0.0027513400000000 ] - [ 0.0002001500000000, 0.0009860800000000, 0.0008268300000000 ] - [ 0.0001068200000000, -0.0001350500000000, -0.0003572300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0045682000000000, 0.0061267500000000, 0.0439930500000000 ] - [ 0.0000049100000000, 0.0000686600000000, 0.0011835700000000 ] - [ -0.0012195700000000, -0.0006153300000000, -0.0006532100000000 ] - [ 0.0012240600000000, -0.0003624400000000, -0.0006539800000000 ] - [ 0.0001361300000000, -0.0001194800000000, -0.0005497400000000 ] - [ 0.0000500500000000, -0.0000245000000000, -0.0011312400000000 ] - [ 0.0001801700000000, -0.0000059700000000, -0.0005010900000000 ] - [ 0.0001524300000000, 0.0000073200000000, -0.0005114400000000 ] - [ 0.0002390500000000, 0.0017627600000000, 0.0031637700000000 ] - [ 0.0002639700000000, -0.0001649100000000, 0.0014131200000000 ] - [ -0.0005845000000000, 0.0003420600000000, -0.0010852700000000 ] - [ 0.0009650500000000, 0.0000799300000000, -0.0010846200000000 ] - [ -0.0001349900000000, -0.0000377600000000, -0.0005865900000000 ] - [ -0.0001633700000000, -0.0000348100000000, -0.0016296100000000 ] - [ -0.0001247900000000, -0.0000610100000000, -0.0003165100000000 ] - [ -0.0001269700000000, -0.0000859000000000, -0.0003020300000000 ] - [ -0.0013055800000000, 0.0001539200000000, 0.0007512300000000 ] - [ -0.0005621000000000, 0.0001135900000000, 0.0003680700000000 ] - [ -0.0005806300000000, -0.0000460000000000, 0.0006853400000000 ] - [ -0.0004807400000000, -0.0000361700000000, 0.0007726900000000 ] - [ 0.0010816700000000, -0.0002008800000000, -0.0010084100000000 ] - [ 0.0011416200000000, -0.0011356300000000, -0.0052209200000000 ] - [ 0.0038741600000000, -0.0006811000000000, 0.0027539600000000 ] - [ -0.0001689000000000, -0.0001042100000000, -0.0004352400000000 ] - [ -0.0007093300000000, -0.0002473800000000, 0.0007119300000000 ] - [ -0.0004946000000000, -0.0002512700000000, 0.0007688200000000 ] - [ -0.0004606100000000, 0.0005384200000000, 0.0020079500000000 ] - [ -0.0004864600000000, 0.0005057600000000, 0.0016695800000000 ] - [ 0.0021462800000000, 0.0003068700000000, -0.0028619600000000 ] - [ -0.0002684300000000, 0.0005217200000000, -0.0018564600000000 ] - [ 0.0004151400000000, 0.0005060200000000, -0.0018000400000000 ] - [ 0.0014983100000000, 0.0077294900000000, -0.0094133300000000 ] - [ 0.0000177900000000, 0.0009185800000000, 0.0008360900000000 ] - [ 0.0005233900000000, 0.0010624700000000, 0.0011158000000000 ] - [ -0.0000289400000000, -0.0005882100000000, 0.0003216700000000 ] - [ 0.0000008300000000, -0.0006315300000000, 0.0002152700000000 ] - [ -0.0004996300000000, 0.0011223000000000, -0.0022832200000000 ] - [ -0.0014739600000000, 0.0017860300000000, -0.0014126300000000 ] - [ 0.0000126000000000, -0.0007810600000000, 0.0000477700000000 ] - [ -0.0016578300000000, -0.0036795600000000, 0.0037578500000000 ] - [ -0.0003818400000000, -0.0009552800000000, 0.0009011900000000 ] - [ 0.0001902300000000, -0.0010459000000000, 0.0011760500000000 ] - [ -0.0003698500000000, 0.0005366400000000, 0.0004737200000000 ] - [ -0.0003436200000000, 0.0005876100000000, 0.0003505300000000 ] - [ 0.0019910600000000, -0.0010537900000000, -0.0054004600000000 ] - [ -0.0005195700000000, -0.0020104800000000, -0.0027283800000000 ] - [ 0.0003566000000000, 0.0007715600000000, 0.0000660000000000 ] - [ -0.0004342000000000, 0.0012150900000000, 0.0037344700000000 ] - [ 0.0003003600000000, -0.0004191200000000, 0.0006454900000000 ] - [ 0.0002293000000000, -0.0004497300000000, 0.0007731200000000 ] - [ 0.0000590000000000, -0.0008358100000000, 0.0021574300000000 ] - [ 0.0001385800000000, 0.0000403900000000, 0.0002509200000000 ] - [ 0.0002793300000000, 0.0004382000000000, 0.0010063500000000 ] - [ -0.0003801200000000, 0.0001933700000000, 0.0006918500000000 ] - [ -0.0001160100000000, -0.0002827900000000, -0.0012267000000000 ] - [ -0.0080513500000000, -0.0087025500000000, -0.0176645500000000 ] - [ 0.0002806300000000, 0.0002964300000000, -0.0011279000000000 ] - [ 0.0005253500000000, 0.0054831800000000, -0.0016491200000000 ] - [ 0.0004375600000000, -0.0001697800000000, 0.0008636200000000 ] - [ -0.0000885200000000, -0.0000447900000000, 0.0006179300000000 ] - [ -0.0002193900000000, 0.0000943600000000, 0.0015843500000000 ] - [ -0.0000752100000000, -0.0002173300000000, 0.0001882200000000 ] - [ 0.0000254300000000, 0.0003878300000000, 0.0005370600000000 ] - [ -0.0000602300000000, 0.0004049300000000, 0.0006521400000000 ] - [ -0.0022529100000000, 0.0027326200000000, 0.0009578400000000 ] - [ 0.0014934300000000, 0.0000213300000000, -0.0008140100000000 ] - [ 0.0009612500000000, 0.0001653300000000, 0.0006931300000000 ] - [ 0.0001973700000000, 0.0001909200000000, 0.0008261100000000 ] - [ -0.0011576500000000, -0.0001793200000000, 0.0002214700000000 ] - [ 0.0002508600000000, -0.0004444000000000, 0.0012231700000000 ] - [ -0.0004318700000000, 0.0000900200000000, 0.0003870200000000 ] - [ -0.0007785100000000, 0.0001046400000000, 0.0003374800000000 ] - [ -0.0000576300000000, -0.0002510200000000, -0.0003625700000000 ] - [ 0.0005237000000000, 0.0015498900000000, 0.0036215500000000 ] - [ 0.0000784800000000, 0.0002597800000000, 0.0009586300000000 ] - [ -0.0000862000000000, 0.0002471300000000, 0.0008371200000000 ] - [ -0.0002069700000000, -0.0018231200000000, 0.0032183900000000 ] - [ -0.0001721800000000, -0.0004075600000000, -0.0008865000000000 ] - [ -0.0002374600000000, 0.0003372500000000, 0.0013151600000000 ] - [ -0.0007056500000000, 0.0003142000000000, 0.0016867500000000 ] - [ -0.0000247600000000, 0.0000711300000000, -0.0006251700000000 ] - [ -0.0000045200000000, 0.0000210000000000, -0.0004178700000000 ] - [ 0.0000237900000000, 0.0001429100000000, -0.0004701200000000 ] - [ -0.0000073500000000, -0.0000180100000000, -0.0011500100000000 ] - [ 0.0027679100000000, 0.0002272200000000, -0.0005824700000000 ] - [ -0.0023961100000000, 0.0003569700000000, -0.0002572000000000 ] - [ 0.0008823000000000, -0.0001678700000000, -0.0003032100000000 ] - [ -0.0008781400000000, -0.0002451500000000, -0.0002561500000000 ] - [ -0.0007749400000000, -0.0000909200000000, 0.0017098700000000 ] - [ 0.0024142400000000, -0.0142782000000000, -0.0081520800000000 ] - [ -0.0001666300000000, 0.0000783800000000, -0.0018493100000000 ] - [ 0.0003592700000000, 0.0000749900000000, -0.0022350900000000 ] - [ -0.0005353500000000, -0.0001384300000000, -0.0018918200000000 ] - [ 0.0006327600000000, -0.0000553800000000, -0.0014900200000000 ] - [ -0.0015456900000000, 0.0005644600000000, -0.0053656300000000 ] - [ 0.0006065300000000, 0.0001582200000000, 0.0004732400000000 ] - [ -0.0016770200000000, 0.0051977300000000, -0.0159308400000000 ] - [ 0.0004299500000000, -0.0001497300000000, 0.0013847800000000 ] - [ -0.0030751400000000, -0.0011017800000000, 0.0061836200000000 ] - [ 0.0044834500000000, -0.0012362100000000, 0.0047959400000000 ] - [ 0.0001870900000000, -0.0000331200000000, -0.0014767200000000 ] - [ 0.0001315600000000, -0.0000548900000000, -0.0018790600000000 ] - [ 0.0008049400000000, -0.0001152200000000, -0.0021646100000000 ] - [ -0.0005185500000000, -0.0001032200000000, -0.0023087100000000 ] - [ 0.0001836400000000, 0.0002016400000000, -0.0009159400000000 ] - [ -0.0003528400000000, 0.0002083200000000, -0.0008787400000000 ] - [ -0.0001470700000000, -0.0000931600000000, -0.0005407100000000 ] - [ -0.0001583800000000, -0.0000982500000000, -0.0006121700000000 ] - [ -0.0004516100000000, 0.0005817300000000, 0.0029192700000000 ] - [ 0.0004750800000000, 0.0005870700000000, 0.0030774800000000 ] - [ 0.0000400700000000, -0.0012611200000000, -0.0011488600000000 ] - [ 0.0001360600000000, -0.0001585300000000, 0.0000242800000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0036517300000000, 0.0005430700000000, 0.0000588900000000 ] - [ 0.0017139600000000, -0.0004237100000000, 0.0000422900000000 ] - [ -0.0001355500000000, -0.0006167200000000, 0.0006579500000000 ] - [ -0.0001103500000000, 0.0005637700000000, -0.0008931300000000 ] - [ 0.0002338800000000, -0.0000240300000000, -0.0001707300000000 ] - [ -0.0000544300000000, 0.0001212900000000, -0.0001421400000000 ] - [ 0.0001331600000000, 0.0000305200000000, 0.0001843800000000 ] - [ 0.0001298900000000, 0.0000541700000000, 0.0001826200000000 ] - [ -0.0389971600000000, 0.0073276600000000, -0.0002817400000000 ] - [ 0.0025716700000000, 0.0002692600000000, 0.0003599800000000 ] - [ 0.0001534500000000, 0.0000749400000000, -0.0002104600000000 ] - [ 0.0001540700000000, -0.0000862200000000, -0.0005097700000000 ] - [ -0.0000059300000000, 0.0000267700000000, -0.0004121600000000 ] - [ -0.0004547900000000, -0.0003054900000000, -0.0000344200000000 ] - [ -0.0001335200000000, -0.0000299600000000, 0.0004202100000000 ] - [ -0.0001422600000000, -0.0000174300000000, 0.0003425500000000 ] - [ -0.0005748300000000, 0.0000694500000000, -0.0001370700000000 ] - [ -0.0008503700000000, 0.0000942500000000, -0.0001143200000000 ] - [ -0.0007954500000000, -0.0000895700000000, 0.0000681700000000 ] - [ -0.0006499000000000, -0.0000836100000000, 0.0001081700000000 ] - [ -0.0046918900000000, 0.0020083000000000, 0.0001097000000000 ] - [ 0.0047704600000000, 0.0027650900000000, -0.0025288800000000 ] - [ 0.0017912700000000, -0.0000586800000000, -0.0000885000000000 ] - [ -0.0001640000000000, -0.0001258100000000, -0.0000105800000000 ] - [ -0.0004976300000000, -0.0004038100000000, -0.0005188600000000 ] - [ -0.0005631600000000, -0.0003939800000000, -0.0006978100000000 ] - [ -0.0004764100000000, 0.0003788800000000, 0.0006032900000000 ] - [ -0.0005883400000000, 0.0003800000000000, 0.0005312600000000 ] - [ -0.0005827300000000, 0.0028607400000000, -0.0044615900000000 ] - [ -0.0018467400000000, -0.0011315300000000, 0.0043114200000000 ] - [ -0.0003580200000000, 0.0004581100000000, -0.0006261200000000 ] - [ 0.0016039200000000, 0.0001983100000000, -0.0000755100000000 ] - [ 0.0001353100000000, 0.0008188900000000, 0.0003892500000000 ] - [ 0.0000700800000000, 0.0008028200000000, 0.0001973100000000 ] - [ 0.0001610700000000, -0.0008044100000000, -0.0003542600000000 ] - [ 0.0000958700000000, -0.0007858900000000, -0.0003508100000000 ] - [ 0.0101020600000000, 0.0048725700000000, 0.0047702800000000 ] - [ -0.0038082500000000, 0.0008299000000000, 0.0005413100000000 ] - [ -0.0005628500000000, -0.0010256500000000, 0.0003086600000000 ] - [ 0.0003146900000000, -0.0006011900000000, 0.0005228500000000 ] - [ -0.0002156300000000, -0.0008799400000000, 0.0004181800000000 ] - [ -0.0002929000000000, -0.0007519900000000, 0.0001045800000000 ] - [ -0.0001960200000000, 0.0007876200000000, -0.0003193800000000 ] - [ -0.0002672900000000, 0.0007741100000000, -0.0003144900000000 ] - [ -0.0004506900000000, 0.0036570500000000, -0.0008993500000000 ] - [ -0.0030145300000000, -0.0028455900000000, -0.0006970500000000 ] - [ -0.0003370700000000, 0.0010964500000000, 0.0002690800000000 ] - [ 0.0007520300000000, 0.0005462900000000, 0.0004932400000000 ] - [ 0.0001534800000000, -0.0000762300000000, -0.0002163900000000 ] - [ 0.0001668200000000, -0.0000891100000000, -0.0001530000000000 ] - [ 0.0010237100000000, -0.0004305600000000, 0.0015734000000000 ] - [ -0.0002767500000000, -0.0000235000000000, 0.0000126700000000 ] - [ -0.0000910300000000, -0.0001908700000000, -0.0002234200000000 ] - [ -0.0002125400000000, 0.0000150000000000, 0.0005132600000000 ] - [ -0.0010904200000000, 0.0002858500000000, 0.0003016600000000 ] - [ 0.0010494000000000, 0.0024147800000000, -0.0007122300000000 ] - [ -0.0012703400000000, -0.0010086500000000, 0.0004532100000000 ] - [ 0.0089932200000000, -0.0077905500000000, 0.0021646100000000 ] - [ 0.0001619700000000, 0.0001269100000000, -0.0000315500000000 ] - [ 0.0000595500000000, 0.0001587900000000, 0.0003069000000000 ] - [ 0.0005076100000000, 0.0007263500000000, 0.0019615800000000 ] - [ -0.0005222600000000, -0.0000795200000000, -0.0000012800000000 ] - [ -0.0001148000000000, 0.0001447800000000, -0.0001985800000000 ] - [ -0.0001023600000000, 0.0001475400000000, -0.0001330900000000 ] - [ 0.0054219600000000, 0.0000548300000000, -0.0005581300000000 ] - [ -0.0012815700000000, -0.0001642400000000, -0.0002210100000000 ] - [ 0.0004653600000000, 0.0000975900000000, 0.0001468200000000 ] - [ 0.0007027500000000, 0.0001556500000000, 0.0003253600000000 ] - [ -0.0018857200000000, -0.0000269900000000, 0.0004877900000000 ] - [ 0.0028766500000000, -0.0007823700000000, -0.0002795300000000 ] - [ -0.0005470500000000, 0.0001288000000000, -0.0002734000000000 ] - [ -0.0006350200000000, 0.0001268800000000, -0.0002293900000000 ] - [ -0.0002070700000000, -0.0004526700000000, 0.0004386400000000 ] - [ 0.0008286500000000, 0.0013119900000000, -0.0022621900000000 ] - [ 0.0002428700000000, 0.0002672200000000, -0.0004206000000000 ] - [ 0.0001746900000000, 0.0003164800000000, -0.0000241500000000 ] - [ 0.0061827900000000, -0.0041381900000000, -0.0052421700000000 ] - [ -0.0013575800000000, -0.0003781400000000, -0.0009199100000000 ] - [ -0.0001993000000000, 0.0002875600000000, 0.0001003000000000 ] - [ -0.0002107200000000, 0.0002935000000000, 0.0002760500000000 ] - [ -0.0001037500000000, 0.0000827100000000, 0.0000972600000000 ] - [ 0.0000674400000000, 0.0000739300000000, 0.0001045800000000 ] - [ 0.0001370900000000, 0.0000741000000000, -0.0000608100000000 ] - [ -0.0001051600000000, 0.0000577100000000, -0.0001221000000000 ] - [ 0.0002836200000000, -0.0011769600000000, -0.0009339900000000 ] - [ 0.0007079700000000, 0.0005153200000000, 0.0010815500000000 ] - [ 0.0006928600000000, 0.0008191000000000, -0.0017861800000000 ] - [ 0.0009721800000000, -0.0004654800000000, 0.0014844800000000 ] - [ 0.0025568900000000, 0.0007660800000000, -0.0010627500000000 ] - [ -0.0071347500000000, -0.0051379600000000, 0.0039561600000000 ] - [ -0.0000160900000000, -0.0000002800000000, 0.0001366200000000 ] - [ 0.0000873700000000, 0.0000035700000000, -0.0000835500000000 ] - [ 0.0001222300000000, 0.0001924000000000, 0.0004969600000000 ] - [ -0.0001641500000000, -0.0001704400000000, -0.0004196400000000 ] - [ -0.0059474900000000, 0.0007424500000000, -0.0031280000000000 ] - [ 0.0020264700000000, 0.0000366800000000, 0.0008172900000000 ] - [ -0.0019091400000000, 0.0001649500000000, -0.0007981200000000 ] - [ 0.0013696800000000, -0.0000563900000000, -0.0002708000000000 ] - [ 0.0120804000000000, -0.0137738200000000, 0.0085818000000000 ] - [ 0.0139133900000000, 0.0044131300000000, -0.0060642600000000 ] - [ 0.0002590900000000, 0.0000285700000000, 0.0002968600000000 ] - [ 0.0000358900000000, 0.0000238000000000, 0.0002403700000000 ] - [ -0.0000476500000000, 0.0000619500000000, -0.0003748500000000 ] - [ 0.0003885400000000, -0.0000765100000000, 0.0000117800000000 ] - [ -0.0000499600000000, 0.0001407000000000, -0.0002944900000000 ] - [ -0.0001185900000000, 0.0001443000000000, -0.0000723500000000 ] - [ -0.0000755700000000, -0.0001516400000000, 0.0001818000000000 ] - [ -0.0001666300000000, -0.0001541900000000, 0.0001785400000000 ] - [ 0.0007371000000000, 0.0018669900000000, 0.0006923800000000 ] - [ 0.0010884700000000, -0.0010419400000000, -0.0005802000000000 ] - [ -0.0013764800000000, -0.0002414300000000, -0.0003873400000000 ] - [ 0.0012653400000000, -0.0001154100000000, -0.0000277500000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0033883000000000, -0.0005852100000000, 0.0002632700000000 ] - [ -0.0019735500000000, 0.0003588000000000, 0.0002944300000000 ] - [ -0.0001253900000000, 0.0006791600000000, -0.0009926000000000 ] - [ -0.0001493000000000, -0.0004985900000000, 0.0005574700000000 ] - [ 0.0000273700000000, -0.0000408600000000, -0.0001654900000000 ] - [ 0.0003164700000000, -0.0001862100000000, -0.0001921400000000 ] - [ 0.0001267000000000, 0.0000339600000000, 0.0001541800000000 ] - [ 0.0001304800000000, 0.0000099500000000, 0.0001557100000000 ] - [ 0.0387636500000000, -0.0071976900000000, 0.0001698400000000 ] - [ -0.0022984200000000, -0.0002273800000000, 0.0003865300000000 ] - [ 0.0001256300000000, -0.0001180700000000, -0.0005355200000000 ] - [ 0.0001263700000000, 0.0000420000000000, -0.0002356500000000 ] - [ -0.0002692200000000, 0.0000144800000000, -0.0003364500000000 ] - [ 0.0001812100000000, 0.0003485700000000, -0.0007086700000000 ] - [ -0.0001464200000000, -0.0000109600000000, 0.0003268700000000 ] - [ -0.0001361800000000, -0.0000236400000000, 0.0004054000000000 ] - [ -0.0008762200000000, 0.0000988200000000, -0.0000381100000000 ] - [ -0.0006098100000000, 0.0000747300000000, -0.0000573900000000 ] - [ -0.0006571100000000, -0.0000785100000000, 0.0001051400000000 ] - [ -0.0008059400000000, -0.0000855100000000, 0.0000638800000000 ] - [ 0.0061573100000000, -0.0018467800000000, 0.0000528400000000 ] - [ -0.0035616500000000, -0.0028279600000000, 0.0029679700000000 ] - [ -0.0003380200000000, -0.0001102000000000, -0.0000845500000000 ] - [ 0.0016198300000000, -0.0000434700000000, -0.0001620200000000 ] - [ -0.0005744800000000, -0.0003730900000000, -0.0005803200000000 ] - [ -0.0005101900000000, -0.0003827100000000, -0.0004015000000000 ] - [ -0.0005967700000000, 0.0003976500000000, 0.0004954800000000 ] - [ -0.0004844100000000, 0.0003970900000000, 0.0005653000000000 ] - [ 0.0016485500000000, -0.0036353500000000, 0.0055492800000000 ] - [ 0.0028951200000000, 0.0003630000000000, -0.0031982800000000 ] - [ 0.0014292200000000, 0.0003189400000000, -0.0004824900000000 ] - [ -0.0005287200000000, 0.0005790600000000, -0.0010215500000000 ] - [ 0.0001203500000000, 0.0007729400000000, 0.0003159700000000 ] - [ 0.0001824600000000, 0.0007886000000000, 0.0005061600000000 ] - [ 0.0000940700000000, -0.0007902000000000, -0.0003518500000000 ] - [ 0.0001582500000000, -0.0008063800000000, -0.0003539300000000 ] - [ -0.0096337800000000, -0.0033046900000000, -0.0049225200000000 ] - [ 0.0035565800000000, 0.0007908400000000, -0.0012709900000000 ] - [ 0.0003091400000000, -0.0005663500000000, 0.0003954200000000 ] - [ -0.0005665500000000, -0.0009892200000000, 0.0001827300000000 ] - [ -0.0002390000000000, -0.0007008500000000, 0.0002187200000000 ] - [ -0.0001652100000000, -0.0008281700000000, 0.0005304500000000 ] - [ -0.0002596100000000, 0.0007936700000000, -0.0003179500000000 ] - [ -0.0001915000000000, 0.0008014300000000, -0.0003182400000000 ] - [ 0.0009114000000000, -0.0052186000000000, 0.0002557300000000 ] - [ 0.0034530400000000, 0.0012678300000000, 0.0000510800000000 ] - [ 0.0007938500000000, 0.0004817600000000, 0.0003655100000000 ] - [ -0.0002946600000000, 0.0010348500000000, 0.0001454600000000 ] - [ 0.0001690800000000, -0.0000957200000000, -0.0001281200000000 ] - [ 0.0001539900000000, -0.0000773900000000, -0.0001943000000000 ] - [ -0.0007039900000000, 0.0006137900000000, -0.0012495800000000 ] - [ 0.0005976000000000, 0.0001906100000000, 0.0003374400000000 ] - [ -0.0002287300000000, 0.0000256500000000, 0.0005710600000000 ] - [ -0.0001090900000000, -0.0001836800000000, -0.0001683600000000 ] - [ 0.0007704800000000, -0.0001208400000000, -0.0006472100000000 ] - [ -0.0013634900000000, -0.0022264700000000, 0.0003692900000000 ] - [ 0.0014813500000000, 0.0007084700000000, -0.0007624300000000 ] - [ -0.0087605300000000, 0.0077399000000000, -0.0025755600000000 ] - [ 0.0000561800000000, 0.0001581700000000, 0.0003495300000000 ] - [ 0.0001591800000000, 0.0001256000000000, 0.0000112700000000 ] - [ -0.0007330800000000, -0.0010320600000000, -0.0016705100000000 ] - [ 0.0003038300000000, -0.0002057900000000, 0.0003225700000000 ] - [ -0.0001001900000000, 0.0001479000000000, -0.0001158000000000 ] - [ -0.0001150000000000, 0.0001387200000000, -0.0001845000000000 ] - [ -0.0042239700000000, -0.0003160700000000, 0.0000721900000000 ] - [ 0.0024542400000000, -0.0000951100000000, -0.0002655000000000 ] - [ 0.0007139700000000, 0.0001583500000000, 0.0003438400000000 ] - [ 0.0004763700000000, 0.0001014400000000, 0.0001651700000000 ] - [ 0.0007079900000000, -0.0002278900000000, 0.0000085400000000 ] - [ -0.0040846600000000, 0.0005277900000000, 0.0007786300000000 ] - [ -0.0006336000000000, 0.0001266900000000, -0.0002180900000000 ] - [ -0.0005438300000000, 0.0001287900000000, -0.0002614200000000 ] - [ 0.0006209800000000, -0.0001316300000000, -0.0000398700000000 ] - [ -0.0004124100000000, -0.0018859000000000, 0.0026362200000000 ] - [ 0.0001709000000000, 0.0003152300000000, 0.0000215500000000 ] - [ 0.0002368000000000, 0.0002672900000000, -0.0003699400000000 ] - [ -0.0066603500000000, 0.0035343700000000, 0.0048028000000000 ] - [ 0.0009503000000000, -0.0002020100000000, 0.0005387300000000 ] - [ -0.0002103600000000, 0.0002942600000000, 0.0002866600000000 ] - [ -0.0002005500000000, 0.0002889700000000, 0.0001164300000000 ] - [ 0.0000700500000000, 0.0000630700000000, 0.0000938100000000 ] - [ -0.0001011700000000, 0.0000719500000000, 0.0000857800000000 ] - [ -0.0001023200000000, 0.0000716900000000, -0.0001268000000000 ] - [ 0.0001390000000000, 0.0000873400000000, -0.0000684000000000 ] - [ -0.0002580500000000, 0.0010281600000000, 0.0011200900000000 ] - [ -0.0006707100000000, -0.0006676200000000, -0.0008910700000000 ] - [ -0.0007292000000000, -0.0009600400000000, 0.0015778900000000 ] - [ -0.0010015400000000, 0.0003280300000000, -0.0016886300000000 ] - [ -0.0026204200000000, -0.0007647300000000, 0.0010674700000000 ] - [ 0.0070067800000000, 0.0050655200000000, -0.0039032100000000 ] - [ 0.0000826400000000, 0.0000108900000000, -0.0001180300000000 ] - [ -0.0000192500000000, 0.0000072200000000, 0.0001020000000000 ] - [ -0.0001904200000000, -0.0001810800000000, -0.0005109600000000 ] - [ 0.0000975900000000, 0.0001813300000000, 0.0004049100000000 ] - [ 0.0060860900000000, -0.0007430500000000, 0.0031984800000000 ] - [ -0.0019594500000000, -0.0000489400000000, -0.0008494400000000 ] - [ 0.0016130000000000, -0.0001248900000000, 0.0002336700000000 ] - [ -0.0016613400000000, 0.0000977100000000, -0.0002833900000000 ] - [ -0.0123070000000000, 0.0137299400000000, -0.0079354100000000 ] - [ -0.0141714400000000, -0.0045499500000000, 0.0067070400000000 ] - [ 0.0000342500000000, 0.0000126900000000, 0.0002636600000000 ] - [ 0.0002576400000000, 0.0000174100000000, 0.0003234500000000 ] - [ 0.0003361700000000, -0.0001021100000000, -0.0001843600000000 ] - [ -0.0000901400000000, 0.0000357900000000, -0.0005706900000000 ] - [ -0.0001949600000000, 0.0001534900000000, -0.0000324800000000 ] - [ -0.0001211800000000, 0.0001500000000000, -0.0002559400000000 ] - [ -0.0001665300000000, -0.0001434300000000, 0.0001471200000000 ] - [ -0.0000752700000000, -0.0001405500000000, 0.0001507400000000 ] - [ -0.0004986400000000, -0.0015641900000000, -0.0003582000000000 ] - [ -0.0008424200000000, 0.0013471800000000, 0.0009108200000000 ] - [ 0.0016177500000000, -0.0000522300000000, 0.0000546500000000 ] - [ -0.0010221800000000, -0.0001794900000000, -0.0002978700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003769900000000, 0.0066551900000000, -0.0015513300000000 ] - [ 0.0000958800000000, 0.0003981600000000, 0.0003536100000000 ] - [ -0.0000979800000000, 0.0002131900000000, -0.0002705600000000 ] - [ -0.0002344200000000, 0.0004634200000000, -0.0005329100000000 ] - [ 0.0001135000000000, -0.0001461200000000, -0.0002258400000000 ] - [ 0.0003015300000000, -0.0004827200000000, -0.0002208400000000 ] - [ 0.0001175100000000, -0.0000025600000000, 0.0001291700000000 ] - [ 0.0001360300000000, -0.0000168300000000, 0.0001021600000000 ] - [ 0.0078095500000000, -0.0492549800000000, 0.0035782600000000 ] - [ 0.0003855400000000, -0.0004273300000000, 0.0007696000000000 ] - [ 0.0002040400000000, -0.0000760700000000, -0.0003039500000000 ] - [ 0.0000424400000000, -0.0000762600000000, -0.0003143500000000 ] - [ -0.0001440200000000, 0.0001907500000000, -0.0005319500000000 ] - [ 0.0001899900000000, 0.0009167500000000, -0.0011691800000000 ] - [ -0.0001496000000000, -0.0000105000000000, 0.0003505200000000 ] - [ -0.0001364800000000, -0.0000003300000000, 0.0003311900000000 ] - [ -0.0009369900000000, 0.0000989600000000, 0.0001588400000000 ] - [ -0.0006926800000000, 0.0000826800000000, 0.0000234500000000 ] - [ -0.0006971000000000, -0.0000712600000000, 0.0001005000000000 ] - [ -0.0007641700000000, -0.0000754700000000, 0.0000661700000000 ] - [ 0.0006236800000000, 0.0011953900000000, 0.0000551900000000 ] - [ 0.0023380400000000, 0.0075566300000000, -0.0041531300000000 ] - [ 0.0006022100000000, -0.0002239000000000, -0.0004019300000000 ] - [ 0.0007351800000000, -0.0002225600000000, -0.0001957600000000 ] - [ -0.0006034500000000, -0.0003646000000000, -0.0003879500000000 ] - [ -0.0005373400000000, -0.0003618500000000, -0.0003013600000000 ] - [ -0.0005645300000000, 0.0004267600000000, 0.0004242000000000 ] - [ -0.0005258700000000, 0.0004309900000000, 0.0005881300000000 ] - [ 0.0004949700000000, 0.0007060600000000, 0.0006138000000000 ] - [ -0.0020010700000000, -0.0008633400000000, 0.0030601500000000 ] - [ 0.0004392100000000, 0.0001156500000000, -0.0007993700000000 ] - [ 0.0005357800000000, -0.0007573800000000, -0.0015154100000000 ] - [ 0.0001189300000000, 0.0007092800000000, 0.0004268700000000 ] - [ 0.0002323700000000, 0.0007169000000000, 0.0006340000000000 ] - [ 0.0001302700000000, -0.0008190600000000, -0.0003761200000000 ] - [ 0.0001190400000000, -0.0007971200000000, -0.0003259300000000 ] - [ 0.0011585500000000, 0.0055505000000000, 0.0007635600000000 ] - [ -0.0025630800000000, 0.0032107200000000, -0.0010500200000000 ] - [ -0.0002059600000000, -0.0007959400000000, 0.0002950100000000 ] - [ -0.0000984100000000, -0.0009132500000000, 0.0000023600000000 ] - [ -0.0002247700000000, -0.0006978200000000, 0.0004298500000000 ] - [ -0.0001380200000000, -0.0007067700000000, 0.0006435200000000 ] - [ -0.0002114900000000, 0.0008352600000000, -0.0003472700000000 ] - [ -0.0002215600000000, 0.0008102800000000, -0.0002852000000000 ] - [ 0.0033820100000000, -0.0003903800000000, 0.0017558200000000 ] - [ -0.0021050000000000, -0.0024126200000000, -0.0008102100000000 ] - [ 0.0002468500000000, 0.0005972200000000, 0.0002456400000000 ] - [ 0.0005296000000000, 0.0001939100000000, -0.0000895000000000 ] - [ 0.0001639100000000, -0.0000856900000000, -0.0001401900000000 ] - [ 0.0001651000000000, -0.0000814200000000, -0.0001360700000000 ] - [ -0.0000194300000000, 0.0028127600000000, -0.0028019400000000 ] - [ 0.0003015400000000, 0.0004021400000000, 0.0000523800000000 ] - [ -0.0001626000000000, -0.0000918800000000, 0.0002378200000000 ] - [ -0.0001336800000000, -0.0000284500000000, 0.0004131300000000 ] - [ -0.0000317600000000, -0.0006158500000000, -0.0005496200000000 ] - [ 0.0005782500000000, -0.0074665600000000, -0.0017981500000000 ] - [ -0.0001439200000000, -0.0000426400000000, -0.0002397000000000 ] - [ -0.0087654800000000, 0.0144748100000000, -0.0042739900000000 ] - [ 0.0001094600000000, 0.0002012200000000, 0.0001837800000000 ] - [ 0.0001346700000000, 0.0002084000000000, 0.0002468500000000 ] - [ -0.0003047400000000, -0.0023170800000000, -0.0020190100000000 ] - [ -0.0000580200000000, -0.0003717400000000, 0.0000611300000000 ] - [ -0.0001054000000000, 0.0001328100000000, -0.0001352900000000 ] - [ -0.0001019700000000, 0.0001242000000000, -0.0001349400000000 ] - [ -0.0018053200000000, -0.0043664600000000, 0.0016671400000000 ] - [ 0.0014176000000000, -0.0004610100000000, -0.0002784700000000 ] - [ 0.0005384800000000, 0.0001356000000000, 0.0002905100000000 ] - [ 0.0006312600000000, 0.0001506300000000, 0.0003137800000000 ] - [ -0.0002162000000000, -0.0000506900000000, 0.0000736400000000 ] - [ -0.0024614600000000, 0.0001802900000000, -0.0016235600000000 ] - [ -0.0005962200000000, 0.0001247100000000, -0.0002362300000000 ] - [ -0.0005773400000000, 0.0001227300000000, -0.0002233000000000 ] - [ 0.0001979500000000, -0.0004120000000000, 0.0003632200000000 ] - [ 0.0007652300000000, -0.0038101000000000, 0.0052622200000000 ] - [ 0.0001868700000000, 0.0002983700000000, -0.0001527300000000 ] - [ 0.0001807600000000, 0.0003157400000000, -0.0000652500000000 ] - [ -0.0044842800000000, 0.0085953700000000, 0.0081891100000000 ] - [ -0.0002797200000000, -0.0001862200000000, -0.0004491600000000 ] - [ -0.0002262400000000, 0.0002860900000000, 0.0002077100000000 ] - [ -0.0001891800000000, 0.0002831300000000, 0.0002022400000000 ] - [ -0.0000228100000000, 0.0000388900000000, 0.0000821800000000 ] - [ -0.0000024000000000, 0.0000453000000000, 0.0000572100000000 ] - [ 0.0000404100000000, 0.0001096300000000, -0.0001346200000000 ] - [ 0.0000055500000000, 0.0001227000000000, -0.0000930300000000 ] - [ -0.0005559100000000, 0.0017162700000000, 0.0005367500000000 ] - [ 0.0002134700000000, 0.0012802500000000, 0.0005122500000000 ] - [ 0.0007024600000000, -0.0011166200000000, -0.0012083900000000 ] - [ -0.0010578400000000, -0.0011697500000000, -0.0012368100000000 ] - [ -0.0006999000000000, 0.0006034600000000, 0.0002638000000000 ] - [ 0.0009603200000000, 0.0210242700000000, -0.0085459000000000 ] - [ 0.0000407700000000, 0.0000182000000000, -0.0000315200000000 ] - [ 0.0000116200000000, 0.0000230200000000, -0.0000356700000000 ] - [ 0.0000270800000000, -0.0000471300000000, -0.0001008500000000 ] - [ -0.0001011800000000, -0.0001561700000000, -0.0002928300000000 ] - [ 0.0028868000000000, -0.0000802900000000, 0.0097232000000000 ] - [ -0.0002843400000000, -0.0001037500000000, 0.0004204900000000 ] - [ -0.0001970300000000, 0.0006758200000000, 0.0011903800000000 ] - [ -0.0001346800000000, 0.0002482300000000, 0.0000556100000000 ] - [ -0.0049517300000000, -0.0045208800000000, -0.0038302600000000 ] - [ 0.0100958000000000, -0.0001618400000000, -0.0011136500000000 ] - [ 0.0001158800000000, -0.0000097000000000, 0.0002214800000000 ] - [ 0.0001634900000000, 0.0000042000000000, 0.0004045800000000 ] - [ 0.0004066500000000, -0.0000220100000000, -0.0005431200000000 ] - [ -0.0000526300000000, -0.0000038300000000, -0.0008008800000000 ] - [ -0.0002950900000000, 0.0001535300000000, 0.0000037000000000 ] - [ -0.0000002400000000, 0.0001586800000000, -0.0000389200000000 ] - [ -0.0001328800000000, -0.0001311600000000, 0.0001019400000000 ] - [ -0.0001092300000000, -0.0001252400000000, 0.0001030200000000 ] - [ 0.0020187300000000, 0.0016779400000000, 0.0014735100000000 ] - [ -0.0015871900000000, 0.0011400000000000, 0.0014067600000000 ] - [ -0.0001189200000000, -0.0006851100000000, -0.0004556700000000 ] - [ 0.0003011300000000, -0.0002757800000000, -0.0003433300000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006521500000000, -0.0067881800000000, 0.0019380300000000 ] - [ -0.0003546000000000, -0.0004568800000000, -0.0000166100000000 ] - [ -0.0001613100000000, -0.0001461300000000, -0.0000663500000000 ] - [ -0.0000269100000000, -0.0003971600000000, 0.0001941000000000 ] - [ 0.0001476400000000, 0.0000809200000000, -0.0001099300000000 ] - [ -0.0000403000000000, 0.0004171700000000, -0.0001159800000000 ] - [ 0.0001421100000000, 0.0000667600000000, 0.0002094600000000 ] - [ 0.0001239800000000, 0.0000813000000000, 0.0002346100000000 ] - [ -0.0067291500000000, 0.0484178000000000, -0.0021611100000000 ] - [ -0.0001114700000000, 0.0004673700000000, -0.0000192800000000 ] - [ 0.0000761900000000, 0.0000325800000000, -0.0004433700000000 ] - [ 0.0002358600000000, 0.0000325600000000, -0.0004321700000000 ] - [ -0.0001308300000000, -0.0001487000000000, -0.0002169200000000 ] - [ -0.0004631800000000, -0.0008707800000000, 0.0004179500000000 ] - [ -0.0001302100000000, -0.0000294200000000, 0.0003963000000000 ] - [ -0.0001423700000000, -0.0000397400000000, 0.0004171600000000 ] - [ -0.0005181600000000, 0.0000693100000000, -0.0003314700000000 ] - [ -0.0007660100000000, 0.0000861900000000, -0.0001957100000000 ] - [ -0.0007560200000000, -0.0000960800000000, 0.0000729000000000 ] - [ -0.0006917600000000, -0.0000928700000000, 0.0001064000000000 ] - [ 0.0008463800000000, -0.0010567900000000, 0.0001147100000000 ] - [ -0.0011221300000000, -0.0075140000000000, 0.0045332900000000 ] - [ 0.0008442000000000, 0.0000557500000000, 0.0002228900000000 ] - [ 0.0007233700000000, 0.0000536800000000, 0.0000231600000000 ] - [ -0.0004701000000000, -0.0004120200000000, -0.0007112800000000 ] - [ -0.0005357800000000, -0.0004146700000000, -0.0007977700000000 ] - [ -0.0005087000000000, 0.0003509700000000, 0.0006776600000000 ] - [ -0.0005475500000000, 0.0003468900000000, 0.0005085700000000 ] - [ 0.0005807800000000, -0.0015133200000000, 0.0005001700000000 ] - [ 0.0030632700000000, 0.0000900100000000, -0.0019433500000000 ] - [ 0.0006315900000000, 0.0006606900000000, -0.0003103800000000 ] - [ 0.0005389400000000, 0.0015320200000000, 0.0003940000000000 ] - [ 0.0001358400000000, 0.0008838000000000, 0.0002787500000000 ] - [ 0.0000229800000000, 0.0008767000000000, 0.0000720500000000 ] - [ 0.0001255300000000, -0.0007768800000000, -0.0003301000000000 ] - [ 0.0001356700000000, -0.0007961500000000, -0.0003794200000000 ] - [ -0.0014502700000000, -0.0040007000000000, -0.0014955000000000 ] - [ 0.0023093700000000, -0.0016174300000000, 0.0003472500000000 ] - [ -0.0000487800000000, -0.0007959900000000, 0.0004103600000000 ] - [ -0.0001526300000000, -0.0006749700000000, 0.0006970400000000 ] - [ -0.0002320800000000, -0.0008824200000000, 0.0002068300000000 ] - [ -0.0003179500000000, -0.0008732600000000, -0.0000068500000000 ] - [ -0.0002442900000000, 0.0007470800000000, -0.0002896400000000 ] - [ -0.0002374000000000, 0.0007661600000000, -0.0003475300000000 ] - [ -0.0029811500000000, -0.0012287400000000, -0.0024325900000000 ] - [ 0.0025491300000000, 0.0008200000000000, 0.0001632300000000 ] - [ 0.0002106900000000, 0.0009802900000000, 0.0003896600000000 ] - [ -0.0000702900000000, 0.0013832500000000, 0.0007202700000000 ] - [ 0.0001577400000000, -0.0000844700000000, -0.0002049300000000 ] - [ 0.0001549800000000, -0.0000827500000000, -0.0002123900000000 ] - [ 0.0003430400000000, -0.0026347400000000, 0.0031460700000000 ] - [ 0.0000191000000000, -0.0002342300000000, 0.0002940500000000 ] - [ -0.0001574000000000, -0.0000709700000000, 0.0001127800000000 ] - [ -0.0001871200000000, -0.0001381000000000, -0.0000660000000000 ] - [ -0.0002900300000000, 0.0007808900000000, 0.0002009300000000 ] - [ -0.0008804700000000, 0.0076643500000000, 0.0014670400000000 ] - [ 0.0003601300000000, -0.0002405200000000, -0.0000774700000000 ] - [ 0.0084348000000000, -0.0137002100000000, 0.0034822900000000 ] - [ 0.0001081700000000, 0.0000830700000000, 0.0001358200000000 ] - [ 0.0000847400000000, 0.0000748200000000, 0.0000729400000000 ] - [ 0.0000847200000000, 0.0020065700000000, 0.0023091000000000 ] - [ -0.0001586900000000, 0.0000837900000000, 0.0002558400000000 ] - [ -0.0001097900000000, 0.0001591900000000, -0.0001791700000000 ] - [ -0.0001153900000000, 0.0001608900000000, -0.0001832900000000 ] - [ 0.0029816700000000, 0.0040873600000000, -0.0021347100000000 ] - [ -0.0002412100000000, 0.0002070600000000, -0.0002111100000000 ] - [ 0.0006370900000000, 0.0001204100000000, 0.0002007100000000 ] - [ 0.0005456200000000, 0.0001064800000000, 0.0001769100000000 ] - [ -0.0009591700000000, -0.0002054900000000, 0.0004152500000000 ] - [ 0.0012746900000000, -0.0004397400000000, 0.0021092600000000 ] - [ -0.0005829100000000, 0.0001308000000000, -0.0002550200000000 ] - [ -0.0005985500000000, 0.0001330000000000, -0.0002672300000000 ] - [ 0.0002148000000000, -0.0001688600000000, 0.0000334500000000 ] - [ -0.0003355400000000, 0.0032256600000000, -0.0048579000000000 ] - [ 0.0002271200000000, 0.0002841700000000, -0.0002475700000000 ] - [ 0.0002314200000000, 0.0002680300000000, -0.0003303100000000 ] - [ 0.0041746000000000, -0.0092719900000000, -0.0089828200000000 ] - [ -0.0001331200000000, -0.0003965900000000, 0.0000540000000000 ] - [ -0.0001850400000000, 0.0002957400000000, 0.0001817800000000 ] - [ -0.0002228200000000, 0.0002994500000000, 0.0001922900000000 ] - [ -0.0000107900000000, 0.0001066300000000, 0.0001089700000000 ] - [ -0.0000314700000000, 0.0001003400000000, 0.0001333500000000 ] - [ -0.0000062100000000, 0.0000365000000000, -0.0000549300000000 ] - [ 0.0000286600000000, 0.0000234800000000, -0.0000968200000000 ] - [ 0.0005962800000000, -0.0018550400000000, -0.0003538300000000 ] - [ -0.0001863200000000, -0.0014220800000000, -0.0003231300000000 ] - [ -0.0007352800000000, 0.0009611900000000, 0.0010170600000000 ] - [ 0.0010241000000000, 0.0010170000000000, 0.0010462800000000 ] - [ 0.0006327600000000, -0.0006179000000000, -0.0002472000000000 ] - [ -0.0011393800000000, -0.0209548200000000, 0.0084892300000000 ] - [ 0.0000258300000000, -0.0000074000000000, 0.0000483500000000 ] - [ 0.0000551400000000, -0.0000121000000000, 0.0000533600000000 ] - [ -0.0000942900000000, 0.0000578600000000, 0.0000839200000000 ] - [ 0.0000337200000000, 0.0001671900000000, 0.0002758400000000 ] - [ -0.0027894100000000, 0.0000668900000000, -0.0096942800000000 ] - [ 0.0003495200000000, 0.0000936800000000, -0.0004347200000000 ] - [ -0.0000945200000000, -0.0006358600000000, -0.0017242600000000 ] - [ -0.0001602100000000, -0.0002058000000000, -0.0006105700000000 ] - [ 0.0046521400000000, 0.0046654200000000, 0.0044054700000000 ] - [ -0.0103493800000000, 0.0001118000000000, 0.0016800100000000 ] - [ 0.0001771500000000, 0.0000514200000000, 0.0003390400000000 ] - [ 0.0001292000000000, 0.0000374000000000, 0.0001567100000000 ] - [ -0.0001128700000000, -0.0000185100000000, -0.0000187300000000 ] - [ 0.0003462800000000, -0.0000371200000000, 0.0002385600000000 ] - [ 0.0000515700000000, 0.0001408000000000, -0.0003314100000000 ] - [ -0.0002412400000000, 0.0001359900000000, -0.0002891200000000 ] - [ -0.0001096700000000, -0.0001633900000000, 0.0002266900000000 ] - [ -0.0001331500000000, -0.0001689800000000, 0.0002256400000000 ] - [ -0.0017568000000000, -0.0013814300000000, -0.0011328800000000 ] - [ 0.0018180800000000, -0.0008441300000000, -0.0010731300000000 ] - [ 0.0003624800000000, 0.0003910000000000, 0.0001199800000000 ] - [ -0.0000591100000000, -0.0000190400000000, 0.0000124300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002403500000000, -0.0029301300000000, -0.0026156700000000 ] - [ -0.0003375200000000, -0.0007605400000000, -0.0008661900000000 ] - [ 0.0000089500000000, -0.0002434200000000, 0.0005405900000000 ] - [ -0.0002993400000000, -0.0002758400000000, 0.0005413400000000 ] - [ 0.0000709700000000, 0.0000057500000000, 0.0000453300000000 ] - [ 0.0004198600000000, -0.0005366900000000, 0.0010849600000000 ] - [ 0.0000447800000000, 0.0000608500000000, 0.0008582400000000 ] - [ 0.0001413400000000, 0.0000388700000000, 0.0008444400000000 ] - [ -0.0002890000000000, 0.0033228700000000, -0.0484054900000000 ] - [ 0.0001236200000000, 0.0004156600000000, -0.0016434700000000 ] - [ 0.0002775800000000, 0.0000376500000000, 0.0002701600000000 ] - [ -0.0000235100000000, 0.0000485200000000, 0.0002705700000000 ] - [ -0.0001757800000000, 0.0001776400000000, -0.0005522700000000 ] - [ 0.0001995000000000, 0.0008132500000000, 0.0002902100000000 ] - [ -0.0001869900000000, 0.0000028900000000, 0.0011230600000000 ] - [ -0.0001086000000000, 0.0000228800000000, 0.0011104600000000 ] - [ -0.0001196200000000, 0.0000548100000000, -0.0008611700000000 ] - [ -0.0010755300000000, 0.0000913400000000, -0.0003743200000000 ] - [ -0.0008224500000000, -0.0001125900000000, -0.0005342200000000 ] - [ -0.0010769800000000, -0.0001339700000000, -0.0007081600000000 ] - [ -0.0029717600000000, 0.0020761600000000, 0.0008190000000000 ] - [ -0.0014038800000000, -0.0043416400000000, 0.0082493500000000 ] - [ 0.0004371500000000, -0.0001324300000000, -0.0004126400000000 ] - [ 0.0007613900000000, -0.0000118200000000, -0.0002418500000000 ] - [ -0.0003566100000000, -0.0004987400000000, -0.0017566200000000 ] - [ -0.0006465200000000, -0.0004883000000000, -0.0017478000000000 ] - [ -0.0006578300000000, 0.0002420800000000, -0.0012515500000000 ] - [ -0.0005714800000000, 0.0003021100000000, -0.0005528000000000 ] - [ -0.0003633400000000, 0.0012131100000000, -0.0006212600000000 ] - [ 0.0025686800000000, -0.0000069600000000, -0.0010132100000000 ] - [ 0.0005019400000000, 0.0005770100000000, -0.0004956300000000 ] - [ 0.0005389700000000, 0.0003448400000000, -0.0006736600000000 ] - [ 0.0003753100000000, 0.0006746500000000, -0.0000134600000000 ] - [ -0.0003214400000000, 0.0004586200000000, -0.0002564400000000 ] - [ 0.0003094400000000, -0.0010473900000000, -0.0011313700000000 ] - [ 0.0002500200000000, -0.0009565700000000, -0.0009289200000000 ] - [ 0.0050384400000000, 0.0036687700000000, 0.0069602300000000 ] - [ 0.0029212200000000, -0.0007076000000000, 0.0008165700000000 ] - [ -0.0001418100000000, -0.0008605000000000, 0.0001412700000000 ] - [ -0.0000499300000000, -0.0012478300000000, -0.0001653300000000 ] - [ 0.0000917100000000, -0.0004945400000000, -0.0002117200000000 ] - [ -0.0007440200000000, -0.0003352700000000, -0.0004096600000000 ] - [ -0.0000497800000000, 0.0011063300000000, -0.0012335100000000 ] - [ -0.0001021300000000, 0.0010026800000000, -0.0009964200000000 ] - [ -0.0001392800000000, 0.0028834700000000, 0.0018108500000000 ] - [ 0.0040546900000000, 0.0020274500000000, 0.0016563800000000 ] - [ 0.0001628400000000, 0.0009122500000000, 0.0000566200000000 ] - [ 0.0002497700000000, 0.0008122200000000, -0.0001598200000000 ] - [ 0.0000688900000000, 0.0002132600000000, -0.0009952200000000 ] - [ 0.0000521700000000, 0.0002276800000000, -0.0010237500000000 ] - [ 0.0002394600000000, 0.0017985200000000, -0.0040403400000000 ] - [ 0.0001567700000000, 0.0000280400000000, 0.0005337400000000 ] - [ -0.0003756900000000, -0.0003752700000000, -0.0008110800000000 ] - [ -0.0001838900000000, -0.0003477900000000, -0.0006823300000000 ] - [ -0.0003505200000000, 0.0008013000000000, 0.0014581700000000 ] - [ -0.0008104900000000, 0.0032337400000000, 0.0021237600000000 ] - [ 0.0000213600000000, -0.0006350500000000, 0.0013377400000000 ] - [ 0.0027937300000000, -0.0047207500000000, 0.0051742500000000 ] - [ -0.0001197300000000, 0.0003629800000000, -0.0007221300000000 ] - [ 0.0000980000000000, 0.0003031800000000, -0.0005562100000000 ] - [ 0.0002284600000000, -0.0033635400000000, -0.0042359500000000 ] - [ -0.0000435300000000, -0.0001846600000000, 0.0005372500000000 ] - [ -0.0001930000000000, -0.0000580200000000, -0.0008636100000000 ] - [ -0.0002064000000000, -0.0000718900000000, -0.0008945900000000 ] - [ 0.0014942200000000, 0.0015297500000000, 0.0004676100000000 ] - [ -0.0000435300000000, 0.0000093800000000, 0.0007374400000000 ] - [ 0.0004837000000000, 0.0001112200000000, -0.0003508300000000 ] - [ 0.0007719700000000, 0.0001061900000000, -0.0004395100000000 ] - [ 0.0007816200000000, -0.0001982600000000, 0.0005682100000000 ] - [ -0.0037413100000000, -0.0007768200000000, -0.0027422600000000 ] - [ -0.0006008800000000, 0.0001556700000000, -0.0008241000000000 ] - [ -0.0005786100000000, 0.0001545400000000, -0.0008048600000000 ] - [ 0.0007220200000000, -0.0003339600000000, 0.0017498000000000 ] - [ 0.0001054200000000, 0.0001576100000000, 0.0009989100000000 ] - [ 0.0004449100000000, 0.0003504000000000, -0.0015066700000000 ] - [ 0.0004904700000000, 0.0003365000000000, -0.0014326400000000 ] - [ -0.0059620500000000, 0.0077138100000000, 0.0133372300000000 ] - [ -0.0000295400000000, -0.0002423500000000, 0.0016969500000000 ] - [ -0.0000109700000000, 0.0002422600000000, -0.0009333000000000 ] - [ 0.0000563600000000, 0.0002407800000000, -0.0009952100000000 ] - [ -0.0000323600000000, 0.0001645000000000, 0.0007942000000000 ] - [ -0.0000313400000000, 0.0001713600000000, 0.0007069600000000 ] - [ 0.0000037900000000, -0.0000456100000000, 0.0004678500000000 ] - [ -0.0000023000000000, -0.0000421600000000, 0.0005839100000000 ] - [ -0.0016774100000000, 0.0009079100000000, -0.0014974600000000 ] - [ 0.0012943300000000, 0.0004668100000000, -0.0014374600000000 ] - [ -0.0023167000000000, -0.0012388800000000, 0.0003982100000000 ] - [ 0.0017693200000000, -0.0010395300000000, 0.0001327000000000 ] - [ 0.0004199100000000, -0.0001793800000000, -0.0030856900000000 ] - [ -0.0000756100000000, -0.0072087200000000, 0.0005028900000000 ] - [ 0.0000167500000000, -0.0000681300000000, 0.0018593400000000 ] - [ -0.0000175700000000, -0.0000681700000000, 0.0019310300000000 ] - [ 0.0001236600000000, 0.0000420300000000, 0.0021713500000000 ] - [ -0.0003408700000000, 0.0000957100000000, 0.0019400600000000 ] - [ 0.0035369900000000, 0.0038026600000000, 0.0188481900000000 ] - [ -0.0013636700000000, 0.0000079700000000, -0.0019509800000000 ] - [ 0.0002511400000000, 0.0004772500000000, 0.0005862600000000 ] - [ -0.0001290600000000, -0.0000457900000000, -0.0001121200000000 ] - [ 0.0075024800000000, -0.0102212600000000, 0.0021714300000000 ] - [ -0.0120971600000000, -0.0014777700000000, 0.0011252900000000 ] - [ 0.0000458400000000, 0.0000466800000000, 0.0020507500000000 ] - [ 0.0002162700000000, 0.0001040200000000, 0.0028480000000000 ] - [ -0.0006472700000000, -0.0000530100000000, 0.0015191300000000 ] - [ 0.0010355800000000, -0.0000471000000000, 0.0014563000000000 ] - [ -0.0007725700000000, 0.0001435600000000, 0.0007974500000000 ] - [ 0.0004069900000000, 0.0001227800000000, 0.0007067000000000 ] - [ -0.0001038100000000, -0.0001950900000000, 0.0008479400000000 ] - [ -0.0000723200000000, -0.0001793700000000, 0.0009363000000000 ] - [ 0.0008327900000000, 0.0011462500000000, -0.0012739800000000 ] - [ -0.0000981700000000, 0.0007372400000000, -0.0013491900000000 ] - [ 0.0001127200000000, -0.0003480800000000, 0.0023166900000000 ] - [ 0.0001775200000000, -0.0000191400000000, 0.0004864800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000220600000000, 0.0028754400000000, 0.0029289900000000 ] - [ 0.0000747100000000, 0.0006987200000000, 0.0012002900000000 ] - [ -0.0002683900000000, 0.0003085000000000, -0.0008761700000000 ] - [ 0.0000366700000000, 0.0003414700000000, -0.0008764500000000 ] - [ 0.0001911300000000, -0.0000701100000000, -0.0003787600000000 ] - [ -0.0001596000000000, 0.0004763100000000, -0.0014225700000000 ] - [ 0.0002161300000000, 0.0000047400000000, -0.0005230600000000 ] - [ 0.0001192600000000, 0.0000264100000000, -0.0005093600000000 ] - [ 0.0001414000000000, -0.0023943200000000, 0.0496747700000000 ] - [ 0.0001506900000000, -0.0003744300000000, 0.0023956400000000 ] - [ 0.0000031900000000, -0.0000784300000000, -0.0010198200000000 ] - [ 0.0003013200000000, -0.0000898000000000, -0.0010191200000000 ] - [ -0.0000991900000000, -0.0001384600000000, -0.0001950600000000 ] - [ -0.0004740800000000, -0.0007749300000000, -0.0010364200000000 ] - [ -0.0000924900000000, -0.0000417000000000, -0.0003744800000000 ] - [ -0.0001700900000000, -0.0000623000000000, -0.0003610600000000 ] - [ -0.0013276300000000, 0.0001120200000000, 0.0006861600000000 ] - [ -0.0003761700000000, 0.0000769000000000, 0.0002002100000000 ] - [ -0.0006256600000000, -0.0000543800000000, 0.0007093000000000 ] - [ -0.0003719600000000, -0.0000338500000000, 0.0008832400000000 ] - [ 0.0044264000000000, -0.0019132700000000, -0.0006476600000000 ] - [ 0.0025600400000000, 0.0042608400000000, -0.0078695700000000 ] - [ 0.0010043200000000, -0.0000373200000000, 0.0002394400000000 ] - [ 0.0006923700000000, -0.0001567000000000, 0.0000716600000000 ] - [ -0.0007170900000000, -0.0002777500000000, 0.0006580800000000 ] - [ -0.0004266300000000, -0.0002881500000000, 0.0006485700000000 ] - [ -0.0004156100000000, 0.0005350600000000, 0.0023559300000000 ] - [ -0.0005022300000000, 0.0004750400000000, 0.0016490400000000 ] - [ 0.0014313000000000, -0.0019987600000000, 0.0017448800000000 ] - [ -0.0015055600000000, -0.0007664400000000, 0.0021365700000000 ] - [ 0.0005714900000000, 0.0001995200000000, -0.0006059400000000 ] - [ 0.0005351500000000, 0.0004265400000000, -0.0004223300000000 ] - [ -0.0001218600000000, 0.0009187000000000, 0.0007183900000000 ] - [ 0.0005756500000000, 0.0011360500000000, 0.0009611000000000 ] - [ -0.0000545300000000, -0.0005485900000000, 0.0004262700000000 ] - [ 0.0000046900000000, -0.0006377600000000, 0.0002239000000000 ] - [ -0.0049700400000000, -0.0020899700000000, -0.0075034300000000 ] - [ -0.0031724500000000, 0.0022996400000000, -0.0015176100000000 ] - [ -0.0001129700000000, -0.0007339200000000, 0.0005671400000000 ] - [ -0.0002032000000000, -0.0003520900000000, 0.0008696300000000 ] - [ -0.0005514000000000, -0.0010856700000000, 0.0008472800000000 ] - [ 0.0002869200000000, -0.0012460300000000, 0.0010447300000000 ] - [ -0.0004084700000000, 0.0004731800000000, 0.0005995700000000 ] - [ -0.0003590100000000, 0.0005712000000000, 0.0003661200000000 ] - [ 0.0006020700000000, -0.0044678500000000, -0.0024384300000000 ] - [ -0.0035906700000000, -0.0036013000000000, -0.0022935600000000 ] - [ 0.0002958500000000, 0.0006655100000000, 0.0005805300000000 ] - [ 0.0002088900000000, 0.0007673400000000, 0.0007975300000000 ] - [ 0.0002513200000000, -0.0003778400000000, 0.0006470600000000 ] - [ 0.0002670900000000, -0.0003871300000000, 0.0006729000000000 ] - [ 0.0000795300000000, -0.0016174200000000, 0.0043980000000000 ] - [ 0.0001632600000000, 0.0001334200000000, -0.0001842300000000 ] - [ 0.0000554000000000, 0.0002179500000000, 0.0011647000000000 ] - [ -0.0001346100000000, 0.0001880600000000, 0.0010346100000000 ] - [ 0.0000327000000000, -0.0006410000000000, -0.0018111300000000 ] - [ 0.0004960000000000, -0.0030546300000000, -0.0024742900000000 ] - [ 0.0001946500000000, 0.0003481700000000, -0.0016542300000000 ] - [ -0.0025976600000000, 0.0044881100000000, -0.0054692800000000 ] - [ 0.0003346300000000, -0.0000801600000000, 0.0010405400000000 ] - [ 0.0001209600000000, -0.0000217600000000, 0.0008762300000000 ] - [ -0.0004609700000000, 0.0030710400000000, 0.0045291100000000 ] - [ -0.0001719700000000, -0.0000997100000000, -0.0002212700000000 ] - [ -0.0000208200000000, 0.0003490400000000, 0.0005507300000000 ] - [ -0.0000097000000000, 0.0003556100000000, 0.0005775500000000 ] - [ -0.0002948300000000, -0.0017797900000000, -0.0009691200000000 ] - [ 0.0012231600000000, -0.0002628600000000, -0.0012287400000000 ] - [ 0.0006991600000000, 0.0001443500000000, 0.0008430100000000 ] - [ 0.0004146700000000, 0.0001501700000000, 0.0009298200000000 ] - [ -0.0019686000000000, -0.0000558200000000, -0.0000791300000000 ] - [ 0.0025552700000000, 0.0005339500000000, 0.0032535600000000 ] - [ -0.0005853700000000, 0.0000989100000000, 0.0003335900000000 ] - [ -0.0006043400000000, 0.0001005400000000, 0.0003150700000000 ] - [ -0.0003099800000000, -0.0002468700000000, -0.0013566200000000 ] - [ 0.0003080300000000, -0.0007301900000000, -0.0006342100000000 ] - [ -0.0000313400000000, 0.0002317300000000, 0.0011044300000000 ] - [ -0.0000777900000000, 0.0002465100000000, 0.0010354300000000 ] - [ 0.0058671200000000, -0.0089036700000000, -0.0146133400000000 ] - [ -0.0003828700000000, -0.0003394800000000, -0.0020963100000000 ] - [ -0.0004000700000000, 0.0003387200000000, 0.0013262900000000 ] - [ -0.0004677200000000, 0.0003411900000000, 0.0013926100000000 ] - [ -0.0000013700000000, -0.0000182800000000, -0.0006026700000000 ] - [ -0.0000026400000000, -0.0000250900000000, -0.0005163800000000 ] - [ 0.0000308900000000, 0.0001916200000000, -0.0006575400000000 ] - [ 0.0000369300000000, 0.0001879000000000, -0.0007726600000000 ] - [ 0.0017103600000000, -0.0010553900000000, 0.0016954900000000 ] - [ -0.0012603000000000, -0.0006160900000000, 0.0016366900000000 ] - [ 0.0022957900000000, 0.0011015000000000, -0.0005912300000000 ] - [ -0.0018096400000000, 0.0009038400000000, -0.0003225400000000 ] - [ -0.0004866000000000, 0.0001685600000000, 0.0031084400000000 ] - [ -0.0000262100000000, 0.0071816200000000, -0.0004396400000000 ] - [ 0.0000526100000000, 0.0000783200000000, -0.0018430100000000 ] - [ 0.0000864800000000, 0.0000786600000000, -0.0019136100000000 ] - [ -0.0001910400000000, -0.0000326200000000, -0.0021869000000000 ] - [ 0.0002678100000000, -0.0000857900000000, -0.0019579100000000 ] - [ -0.0033929000000000, -0.0039298500000000, -0.0189661300000000 ] - [ 0.0014343300000000, -0.0000185200000000, 0.0019401400000000 ] - [ -0.0005368800000000, -0.0004259000000000, -0.0011503000000000 ] - [ -0.0001646200000000, 0.0000893800000000, -0.0004531900000000 ] - [ -0.0077673700000000, 0.0101969200000000, -0.0016306100000000 ] - [ 0.0118158600000000, 0.0014166200000000, -0.0005644700000000 ] - [ 0.0002468100000000, -0.0000035900000000, -0.0014898600000000 ] - [ 0.0000755900000000, -0.0000614900000000, -0.0022892700000000 ] - [ 0.0009390100000000, 0.0000135400000000, -0.0020791200000000 ] - [ -0.0007435100000000, 0.0000068400000000, -0.0020156300000000 ] - [ 0.0005312700000000, 0.0001490800000000, -0.0011260600000000 ] - [ -0.0006505400000000, 0.0001707800000000, -0.0010363600000000 ] - [ -0.0001385700000000, -0.0000990200000000, -0.0005190100000000 ] - [ -0.0001700300000000, -0.0001144100000000, -0.0006074000000000 ] - [ -0.0005912100000000, -0.0008540600000000, 0.0015942700000000 ] - [ 0.0003405200000000, -0.0004426200000000, 0.0016703100000000 ] - [ 0.0001296200000000, 0.0000485300000000, -0.0026241000000000 ] - [ 0.0000646100000000, -0.0002749300000000, -0.0008172100000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000094700000000, 0.0001333900000000, 0.0007466600000000 ] - [ -0.0002310700000000, -0.0001321000000000, 0.0000008700000000 ] - [ -0.0000876000000000, 0.0000158000000000, 0.0000805700000000 ] - [ -0.0001898300000000, 0.0000179100000000, -0.0000213400000000 ] - [ -0.0064613800000000, 0.0008577200000000, -0.0005069000000000 ] - [ 0.0053647700000000, 0.0003532900000000, -0.0005462200000000 ] - [ 0.0022810100000000, 0.0029811800000000, 0.0033168900000000 ] - [ -0.0010808700000000, -0.0005354200000000, -0.0007322800000000 ] - [ 0.0002872400000000, -0.0001870900000000, 0.0009823700000000 ] - [ 0.0000161700000000, 0.0000589700000000, 0.0000242500000000 ] - [ 0.0002167200000000, 0.0000138200000000, -0.0000217500000000 ] - [ 0.0000688600000000, -0.0000520200000000, -0.0002759600000000 ] - [ -0.0055752600000000, 0.0001372100000000, -0.0040872400000000 ] - [ 0.0038841900000000, -0.0015513100000000, -0.0021768800000000 ] - [ 0.0009284600000000, -0.0001412400000000, 0.0006586800000000 ] - [ -0.0010346000000000, -0.0000153700000000, 0.0003403900000000 ] - [ -0.4310088000000000, 0.0221766100000000, 0.0946554600000000 ] - [ 0.0097270900000000, 0.0001549500000000, -0.0007869800000000 ] - [ -0.0001584200000000, -0.0007096200000000, -0.0008050700000000 ] - [ -0.0001503400000000, -0.0000396400000000, 0.0012420300000000 ] - [ 0.0003648600000000, 0.0000718700000000, 0.0001432400000000 ] - [ 0.0011896000000000, 0.0001169100000000, -0.0003025500000000 ] - [ 0.0004760700000000, -0.0000607300000000, -0.0003815200000000 ] - [ 0.0008499800000000, -0.0000858000000000, -0.0001898800000000 ] - [ 0.0130930700000000, -0.0050293300000000, -0.0211056800000000 ] - [ 0.0031020900000000, 0.0000464200000000, 0.0015551900000000 ] - [ -0.0011312500000000, 0.0030168300000000, 0.0040120400000000 ] - [ 0.0013169200000000, -0.0004140100000000, -0.0011278400000000 ] - [ 0.0004203900000000, -0.0003526300000000, 0.0001851900000000 ] - [ 0.0006802900000000, -0.0003498000000000, 0.0002125800000000 ] - [ 0.0005744400000000, 0.0004026900000000, -0.0007424900000000 ] - [ 0.0004540700000000, 0.0004453900000000, -0.0011765800000000 ] - [ 0.0335127200000000, 0.0136605200000000, -0.0014518200000000 ] - [ 0.0109725800000000, 0.0017656300000000, 0.0015255300000000 ] - [ -0.0010524100000000, -0.0004484300000000, 0.0011125600000000 ] - [ 0.0013245400000000, -0.0013101900000000, -0.0012336000000000 ] - [ -0.0004748400000000, 0.0009451700000000, -0.0006410200000000 ] - [ 0.0001427400000000, 0.0007753100000000, -0.0003829700000000 ] - [ -0.0000487900000000, -0.0007544500000000, 0.0001845600000000 ] - [ -0.0001159500000000, -0.0007268400000000, 0.0001362500000000 ] - [ 0.0308683000000000, -0.0180201000000000, 0.0009650400000000 ] - [ 0.0078114000000000, -0.0006854700000000, 0.0013089600000000 ] - [ -0.0018321900000000, 0.0001210000000000, 0.0010861500000000 ] - [ 0.0010989600000000, 0.0011178700000000, -0.0011171500000000 ] - [ -0.0001582800000000, -0.0009345600000000, -0.0006220800000000 ] - [ 0.0005388600000000, -0.0008212500000000, -0.0003979900000000 ] - [ 0.0003159800000000, 0.0007403100000000, 0.0001191100000000 ] - [ 0.0002274900000000, 0.0007050000000000, 0.0000674200000000 ] - [ -0.0004556200000000, 0.0006895200000000, -0.0025305300000000 ] - [ 0.0007448400000000, -0.0002591500000000, 0.0005549200000000 ] - [ -0.0011966100000000, 0.0017097900000000, -0.0012406400000000 ] - [ 0.0017797000000000, -0.0004549600000000, 0.0010995100000000 ] - [ -0.0002807800000000, -0.0001606100000000, -0.0000705800000000 ] - [ -0.0000977300000000, -0.0001443800000000, -0.0000125300000000 ] - [ -0.0000318300000000, 0.0005157900000000, 0.0009539800000000 ] - [ -0.0003489300000000, -0.0010033600000000, -0.0023347300000000 ] - [ 0.0002799700000000, -0.0005163100000000, 0.0008832700000000 ] - [ -0.0000378700000000, 0.0009202400000000, -0.0020409800000000 ] - [ -0.0000149200000000, 0.0001634800000000, -0.0000505600000000 ] - [ 0.0001823700000000, 0.0001804400000000, 0.0000032600000000 ] - [ -0.0011837600000000, -0.0021096400000000, -0.0012184500000000 ] - [ 0.0012732400000000, 0.0004509500000000, 0.0010858900000000 ] - [ -0.0006395200000000, 0.0002913400000000, -0.0011681200000000 ] - [ 0.0005454600000000, 0.0002226800000000, 0.0004166400000000 ] - [ -0.0012890300000000, -0.0001007300000000, -0.0013823800000000 ] - [ 0.0023634500000000, -0.0001362600000000, 0.0002441600000000 ] - [ 0.0004274600000000, 0.0001035200000000, 0.0000198800000000 ] - [ 0.0007400900000000, 0.0001240300000000, 0.0001850600000000 ] - [ 0.0000537700000000, -0.0003105100000000, 0.0013284000000000 ] - [ 0.0001016500000000, -0.0002244000000000, -0.0003246500000000 ] - [ -0.0020776100000000, 0.0003299000000000, -0.0003489200000000 ] - [ 0.0005335000000000, 0.0001289300000000, -0.0004189700000000 ] - [ 0.0015280300000000, -0.0003826400000000, 0.0035888600000000 ] - [ 0.0006654700000000, -0.0000073900000000, -0.0067115100000000 ] - [ -0.0000419800000000, 0.0002890500000000, -0.0004253800000000 ] - [ 0.0005240300000000, 0.0002837300000000, -0.0004983100000000 ] - [ -0.0005934500000000, -0.0005007700000000, -0.0020761700000000 ] - [ 0.0004959600000000, -0.0001956800000000, 0.0011119700000000 ] - [ -0.0003196600000000, 0.0004820300000000, -0.0009279900000000 ] - [ -0.0000161700000000, 0.0002797500000000, 0.0003729300000000 ] - [ 0.0002610000000000, 0.0001431300000000, -0.0001264300000000 ] - [ -0.0003620700000000, 0.0001419700000000, 0.0005910700000000 ] - [ -0.0002029400000000, 0.0000162700000000, 0.0002171000000000 ] - [ 0.0002046300000000, 0.0000371900000000, -0.0000909700000000 ] - [ 0.0013775700000000, -0.0000788800000000, -0.0003059600000000 ] - [ -0.0011879200000000, 0.0002408900000000, 0.0004002700000000 ] - [ 0.0024811400000000, 0.0000828000000000, -0.0024313100000000 ] - [ -0.0016841100000000, -0.0006241700000000, 0.0006754400000000 ] - [ -0.0024404300000000, 0.0000357000000000, -0.0037633600000000 ] - [ 0.0033779400000000, -0.0001813200000000, 0.0074397900000000 ] - [ 0.0022994800000000, -0.0012866200000000, 0.0027493300000000 ] - [ -0.0016672100000000, 0.0001005000000000, -0.0008987800000000 ] - [ 0.0002568500000000, 0.0000621300000000, 0.0005091400000000 ] - [ -0.0003193900000000, 0.0000265900000000, 0.0004022600000000 ] - [ -0.0011732100000000, 0.0006024300000000, 0.0027536900000000 ] - [ -0.0014797700000000, -0.0000091400000000, -0.0023480300000000 ] - [ 0.0000782400000000, -0.0000245000000000, 0.0005529600000000 ] - [ -0.0003753800000000, 0.0000310600000000, 0.0001094300000000 ] - [ 0.0006092000000000, -0.0000331300000000, 0.0008261700000000 ] - [ -0.0008807000000000, -0.0000314400000000, 0.0007854500000000 ] - [ -0.0020520300000000, 0.0005556600000000, 0.0031512000000000 ] - [ 0.0005165800000000, -0.0002816600000000, -0.0054426100000000 ] - [ 0.3351635700000000, -0.0156923800000000, -0.0618502500000000 ] - [ -0.0178430900000000, -0.0022088900000000, -0.0041474100000000 ] - [ 0.0035002000000000, -0.0000389300000000, -0.0005648000000000 ] - [ -0.0022587300000000, 0.0004066900000000, -0.0004022800000000 ] - [ -0.0032362700000000, -0.0005910700000000, 0.0019803700000000 ] - [ 0.0016201700000000, 0.0004187000000000, -0.0035716100000000 ] - [ 0.0005102300000000, 0.0001568800000000, 0.0003517500000000 ] - [ -0.0002939900000000, 0.0001565300000000, 0.0004667600000000 ] - [ 0.0001791200000000, -0.0001394000000000, 0.0000675400000000 ] - [ 0.0000803100000000, -0.0001263400000000, 0.0000185500000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002719100000000, -0.0001969500000000, -0.0004074500000000 ] - [ -0.0000311400000000, 0.0000678500000000, 0.0003331900000000 ] - [ -0.0001730900000000, 0.0000485700000000, -0.0004144900000000 ] - [ -0.0000715400000000, 0.0000460100000000, -0.0003147100000000 ] - [ 0.0066966500000000, -0.0009269000000000, 0.0001759800000000 ] - [ -0.0053068700000000, -0.0008070600000000, 0.0002792100000000 ] - [ -0.0020086400000000, -0.0029067400000000, -0.0029765400000000 ] - [ 0.0013349000000000, 0.0006024900000000, 0.0010688900000000 ] - [ -0.0000126400000000, 0.0002295600000000, -0.0002296900000000 ] - [ 0.0002587200000000, -0.0000163000000000, 0.0007202800000000 ] - [ 0.0000629700000000, -0.0000567800000000, -0.0007237500000000 ] - [ 0.0002099500000000, 0.0000081900000000, -0.0004699200000000 ] - [ 0.0052737000000000, -0.0000875800000000, 0.0033123800000000 ] - [ -0.0044492500000000, 0.0019091900000000, 0.0017885800000000 ] - [ -0.0012025000000000, 0.0001006400000000, 0.0000892100000000 ] - [ 0.0007494600000000, -0.0000265500000000, 0.0004076500000000 ] - [ 0.4057593700000000, -0.0202451600000000, -0.0890927400000000 ] - [ -0.0111688800000000, 0.0000144400000000, 0.0006147900000000 ] - [ -0.0013009100000000, 0.0005387300000000, 0.0009709700000000 ] - [ -0.0012942300000000, -0.0001314700000000, -0.0010613100000000 ] - [ 0.0010888500000000, 0.0000988300000000, 0.0000294300000000 ] - [ 0.0002704100000000, 0.0000537700000000, 0.0004711300000000 ] - [ 0.0009741900000000, -0.0001095900000000, 0.0002069600000000 ] - [ 0.0006085000000000, -0.0000846100000000, 0.0000183700000000 ] - [ -0.0140815500000000, 0.0041868100000000, 0.0196208300000000 ] - [ -0.0041697300000000, -0.0008193600000000, -0.0026565900000000 ] - [ 0.0000719900000000, -0.0022190600000000, -0.0028778400000000 ] - [ -0.0023824700000000, 0.0011863500000000, 0.0022086200000000 ] - [ 0.0006509300000000, -0.0004223300000000, 0.0009155900000000 ] - [ 0.0003926600000000, -0.0004256700000000, 0.0008907100000000 ] - [ 0.0004963900000000, 0.0003735200000000, -0.0003654400000000 ] - [ 0.0006181300000000, 0.0003303000000000, 0.0000696200000000 ] - [ -0.0323594300000000, -0.0115636900000000, 0.0021124500000000 ] - [ -0.0107455300000000, -0.0001335400000000, -0.0007982800000000 ] - [ 0.0013030400000000, -0.0011446800000000, -0.0018078300000000 ] - [ -0.0010662900000000, -0.0002832400000000, 0.0005206000000000 ] - [ 0.0002170800000000, 0.0006498900000000, -0.0000671000000000 ] - [ -0.0003950000000000, 0.0008161600000000, -0.0003226000000000 ] - [ -0.0002053800000000, -0.0008365100000000, 0.0005201100000000 ] - [ -0.0001359800000000, -0.0008624800000000, 0.0005666700000000 ] - [ -0.0306025700000000, 0.0158821400000000, -0.0002616300000000 ] - [ -0.0082784000000000, -0.0009221500000000, -0.0006562000000000 ] - [ 0.0013736600000000, 0.0014576000000000, -0.0017151600000000 ] - [ -0.0015532500000000, 0.0004602000000000, 0.0004759100000000 ] - [ 0.0006077500000000, -0.0006529200000000, -0.0000220500000000 ] - [ -0.0000816800000000, -0.0007601400000000, -0.0002409200000000 ] - [ 0.0001394300000000, 0.0008390000000000, 0.0005175200000000 ] - [ 0.0002273000000000, 0.0008765600000000, 0.0005700400000000 ] - [ 0.0007730300000000, -0.0008569700000000, 0.0021759300000000 ] - [ -0.0004227800000000, 0.0000942100000000, -0.0009020400000000 ] - [ 0.0015268500000000, -0.0015140400000000, 0.0015652500000000 ] - [ -0.0014528700000000, 0.0006149700000000, -0.0007411900000000 ] - [ -0.0000396800000000, -0.0000027400000000, 0.0004189500000000 ] - [ -0.0002226900000000, -0.0000219000000000, 0.0003578800000000 ] - [ -0.0002884500000000, -0.0003479200000000, -0.0012958200000000 ] - [ 0.0000344300000000, 0.0011647000000000, 0.0019807200000000 ] - [ -0.0000629400000000, 0.0002271800000000, -0.0011947100000000 ] - [ 0.0002615200000000, -0.0012015800000000, 0.0017160200000000 ] - [ 0.0002333600000000, 0.0001184300000000, 0.0003708500000000 ] - [ 0.0000380400000000, 0.0001009800000000, 0.0003166700000000 ] - [ 0.0009757400000000, 0.0017913200000000, 0.0015164800000000 ] - [ -0.0014862100000000, -0.0007282200000000, -0.0007540900000000 ] - [ 0.0004191300000000, -0.0000011100000000, 0.0008474300000000 ] - [ -0.0007622800000000, 0.0000611200000000, -0.0007354000000000 ] - [ 0.0024738500000000, -0.0001552800000000, 0.0008770900000000 ] - [ -0.0011814700000000, -0.0001196500000000, -0.0007307100000000 ] - [ 0.0007482800000000, 0.0001530600000000, 0.0004704500000000 ] - [ 0.0004389800000000, 0.0001333200000000, 0.0003052000000000 ] - [ -0.0012373500000000, 0.0000525500000000, -0.0008278100000000 ] - [ -0.0012633700000000, -0.0000348800000000, 0.0008106300000000 ] - [ 0.0008907100000000, -0.0000734400000000, -0.0001433800000000 ] - [ -0.0017077200000000, 0.0001277200000000, -0.0000736000000000 ] - [ -0.0011147300000000, -0.0002005400000000, -0.0031760000000000 ] - [ -0.0002405200000000, -0.0005711500000000, 0.0070971500000000 ] - [ 0.0004544000000000, 0.0002940700000000, 0.0000243500000000 ] - [ -0.0001101300000000, 0.0003002400000000, 0.0000996000000000 ] - [ 0.0001789700000000, -0.0000853300000000, 0.0016629800000000 ] - [ -0.0009053000000000, -0.0003861900000000, -0.0014918300000000 ] - [ -0.0000924100000000, 0.0001007600000000, 0.0013128000000000 ] - [ -0.0003955300000000, 0.0003033900000000, 0.0000202800000000 ] - [ -0.0002944900000000, 0.0000031600000000, 0.0003166200000000 ] - [ 0.0003265500000000, 0.0000040800000000, -0.0003977700000000 ] - [ 0.0002355600000000, 0.0001287300000000, -0.0004065200000000 ] - [ -0.0001708400000000, 0.0001079400000000, -0.0000993500000000 ] - [ -0.0013318700000000, -0.0000624000000000, 0.0005012900000000 ] - [ 0.0012122900000000, -0.0003861300000000, -0.0002093400000000 ] - [ -0.0024827300000000, -0.0002434600000000, 0.0022424500000000 ] - [ 0.0016404500000000, 0.0004792100000000, -0.0008707100000000 ] - [ 0.0023633000000000, -0.0000444700000000, 0.0037614000000000 ] - [ -0.0034670800000000, 0.0001721100000000, -0.0073916400000000 ] - [ -0.0022222300000000, 0.0012919300000000, -0.0027206900000000 ] - [ 0.0017296800000000, -0.0000918600000000, 0.0009164500000000 ] - [ -0.0003259200000000, -0.0000525200000000, -0.0005230200000000 ] - [ 0.0002464000000000, -0.0000165600000000, -0.0004150900000000 ] - [ 0.0012146000000000, -0.0006060400000000, -0.0027376600000000 ] - [ 0.0015483300000000, -0.0000009900000000, 0.0023031400000000 ] - [ -0.0003689400000000, 0.0000657900000000, -0.0011060900000000 ] - [ 0.0000822300000000, 0.0000112300000000, -0.0006654500000000 ] - [ -0.0008940900000000, -0.0000084200000000, -0.0002608800000000 ] - [ 0.0005824600000000, -0.0000110700000000, -0.0002229400000000 ] - [ 0.0023404700000000, -0.0005113000000000, -0.0025653800000000 ] - [ -0.0002381600000000, 0.0003235700000000, 0.0059586600000000 ] - [ -0.3121999300000000, 0.0140614500000000, 0.0555294100000000 ] - [ 0.0180916200000000, 0.0021443900000000, 0.0035678000000000 ] - [ -0.0037047700000000, 0.0003352900000000, 0.0002337900000000 ] - [ 0.0020021200000000, -0.0001125200000000, 0.0000718800000000 ] - [ 0.0029828500000000, 0.0002977600000000, -0.0016380300000000 ] - [ -0.0018871100000000, -0.0007041600000000, 0.0038519900000000 ] - [ -0.0002658500000000, 0.0001367300000000, -0.0000207900000000 ] - [ 0.0005329400000000, 0.0001370900000000, -0.0001363400000000 ] - [ 0.0000627700000000, -0.0001540300000000, -0.0003947100000000 ] - [ 0.0001613400000000, -0.0001669900000000, -0.0003460700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001402100000000, -0.0000491700000000, 0.0000958300000000 ] - [ -0.0001301500000000, -0.0000292800000000, 0.0001381900000000 ] - [ -0.0001302300000000, 0.0000308200000000, -0.0002141600000000 ] - [ -0.0001252500000000, 0.0000291700000000, -0.0002078900000000 ] - [ 0.0030026100000000, -0.0002917800000000, -0.0004571000000000 ] - [ 0.0040817200000000, 0.0135478900000000, -0.0012917500000000 ] - [ 0.0004321000000000, -0.0001409700000000, -0.0004486300000000 ] - [ 0.0000540600000000, 0.0002632400000000, 0.0001496900000000 ] - [ 0.0001230100000000, 0.0000349900000000, 0.0003417900000000 ] - [ 0.0001477900000000, 0.0000185600000000, 0.0003812300000000 ] - [ 0.0001384200000000, -0.0000105400000000, -0.0004257100000000 ] - [ 0.0001451700000000, -0.0000073700000000, -0.0004026300000000 ] - [ -0.0020508000000000, 0.0011439000000000, -0.0023570200000000 ] - [ -0.0030451200000000, 0.0075846700000000, 0.0040332300000000 ] - [ -0.0001177200000000, -0.0001571300000000, 0.0004207000000000 ] - [ -0.0001773500000000, -0.0001559900000000, 0.0003012600000000 ] - [ 0.0213613200000000, -0.0968585300000000, -0.0122600000000000 ] - [ -0.0006761200000000, -0.0016114700000000, -0.0001489100000000 ] - [ -0.0007697000000000, 0.0001742400000000, 0.0002408600000000 ] - [ -0.0001035500000000, 0.0001708600000000, 0.0008190800000000 ] - [ 0.0007382100000000, 0.0000895000000000, 0.0001132800000000 ] - [ 0.0006902100000000, 0.0000817400000000, 0.0001358700000000 ] - [ 0.0007453200000000, -0.0000877700000000, -0.0000379300000000 ] - [ 0.0007243000000000, -0.0000857800000000, -0.0000507100000000 ] - [ -0.0070712100000000, -0.0161665900000000, 0.0032599300000000 ] - [ -0.0005066800000000, -0.0012308700000000, -0.0009755100000000 ] - [ 0.0004696400000000, 0.0035887700000000, 0.0031886200000000 ] - [ -0.0009421000000000, 0.0011547200000000, 0.0012732900000000 ] - [ 0.0005424700000000, -0.0003904700000000, 0.0006433500000000 ] - [ 0.0005273300000000, -0.0003943800000000, 0.0006362400000000 ] - [ 0.0005366500000000, 0.0003813800000000, -0.0004819400000000 ] - [ 0.0005452700000000, 0.0003780200000000, -0.0004529500000000 ] - [ 0.0386799000000000, -0.0008097000000000, -0.0001803200000000 ] - [ -0.0027653700000000, -0.0009831700000000, -0.0000657900000000 ] - [ -0.0005312800000000, 0.0007543800000000, 0.0002026900000000 ] - [ 0.0000247900000000, -0.0003662400000000, -0.0001722600000000 ] - [ -0.0001017100000000, 0.0007987800000000, -0.0003134000000000 ] - [ -0.0001377200000000, 0.0007966400000000, -0.0003267000000000 ] - [ -0.0001416400000000, -0.0008147200000000, 0.0003951200000000 ] - [ -0.0001329200000000, -0.0008152600000000, 0.0003960100000000 ] - [ -0.0389675300000000, 0.0005643000000000, -0.0008638200000000 ] - [ 0.0015353700000000, -0.0025226700000000, 0.0006315500000000 ] - [ -0.0001266400000000, 0.0011147900000000, 0.0004564500000000 ] - [ -0.0002915400000000, 0.0007606700000000, -0.0001689900000000 ] - [ 0.0002513900000000, -0.0007528800000000, -0.0002567100000000 ] - [ 0.0002177800000000, -0.0007709500000000, -0.0002790700000000 ] - [ 0.0002160000000000, 0.0008066900000000, 0.0003663700000000 ] - [ 0.0002247700000000, 0.0008101900000000, 0.0003686300000000 ] - [ 0.0001866000000000, -0.0002229700000000, 0.0001491400000000 ] - [ 0.0001068600000000, -0.0001835500000000, -0.0002283900000000 ] - [ 0.0011774800000000, 0.0048062400000000, -0.0025192300000000 ] - [ -0.0001939500000000, 0.0012117300000000, -0.0005484000000000 ] - [ -0.0001457700000000, -0.0000293100000000, 0.0002681000000000 ] - [ -0.0001501700000000, -0.0000365500000000, 0.0002434300000000 ] - [ -0.0001197500000000, -0.0000316400000000, -0.0002751300000000 ] - [ -0.0001607800000000, 0.0000589200000000, -0.0000759900000000 ] - [ 0.0000303200000000, -0.0002866600000000, -0.0000892000000000 ] - [ 0.0000764200000000, -0.0003595900000000, 0.0000581400000000 ] - [ 0.0001148800000000, 0.0001121900000000, 0.0002327100000000 ] - [ 0.0001138400000000, 0.0001082500000000, 0.0002145400000000 ] - [ -0.0011101100000000, 0.0050211700000000, 0.0027215200000000 ] - [ 0.0000509700000000, 0.0010354900000000, 0.0008154800000000 ] - [ -0.0000829800000000, 0.0000609900000000, -0.0001413500000000 ] - [ -0.0002080800000000, 0.0001497700000000, -0.0002639200000000 ] - [ 0.0006788800000000, -0.0004092700000000, -0.0000930100000000 ] - [ 0.0005166500000000, -0.0001491700000000, -0.0002162700000000 ] - [ 0.0005769900000000, 0.0001324800000000, 0.0003033900000000 ] - [ 0.0006080300000000, 0.0001345900000000, 0.0002978000000000 ] - [ -0.0006520800000000, 0.0007467500000000, 0.0001882800000000 ] - [ -0.0006739700000000, 0.0013016000000000, 0.0001975000000000 ] - [ -0.0004291500000000, 0.0000528800000000, -0.0002726600000000 ] - [ -0.0006504300000000, 0.0001041700000000, -0.0002424300000000 ] - [ 0.0001161000000000, -0.0009627900000000, 0.0001867200000000 ] - [ 0.0001686600000000, -0.0010419800000000, 0.0006621900000000 ] - [ 0.0001670800000000, 0.0003109000000000, -0.0000583500000000 ] - [ 0.0001961600000000, 0.0002948100000000, -0.0000936600000000 ] - [ -0.0001770700000000, 0.0012020200000000, -0.0000348500000000 ] - [ -0.0002495800000000, 0.0000378900000000, -0.0002254600000000 ] - [ -0.0001821800000000, 0.0002317600000000, 0.0003061900000000 ] - [ -0.0002103100000000, 0.0002718100000000, 0.0002049800000000 ] - [ -0.0000541200000000, 0.0001334700000000, -0.0000211700000000 ] - [ 0.0000145400000000, 0.0000840300000000, 0.0000405000000000 ] - [ 0.0000333000000000, 0.0000623300000000, -0.0001292000000000 ] - [ -0.0000025200000000, 0.0000481100000000, -0.0001167200000000 ] - [ -0.0001766500000000, -0.0002537400000000, -0.0005445500000000 ] - [ 0.0000961300000000, -0.0001197500000000, -0.0000532900000000 ] - [ 0.0001228100000000, -0.0001596400000000, 0.0018215600000000 ] - [ -0.0000397700000000, 0.0000131900000000, 0.0000830700000000 ] - [ 0.0000920500000000, 0.0000473200000000, 0.0000097600000000 ] - [ -0.0001024000000000, 0.0002679800000000, -0.0005713300000000 ] - [ -0.0002145300000000, 0.0003467600000000, -0.0002952600000000 ] - [ 0.0001587100000000, 0.0001031800000000, 0.0000901000000000 ] - [ -0.0000104700000000, -0.0000061200000000, -0.0002282700000000 ] - [ -0.0000430300000000, -0.0000017300000000, -0.0001711600000000 ] - [ 0.0000981100000000, -0.0074802400000000, 0.0002438700000000 ] - [ 0.0001740700000000, -0.0023050200000000, 0.0001298500000000 ] - [ -0.0001600400000000, 0.0000283000000000, -0.0004237900000000 ] - [ -0.0001268000000000, 0.0000241500000000, -0.0003971200000000 ] - [ -0.0001949100000000, -0.0000498900000000, 0.0001475200000000 ] - [ -0.0001076400000000, -0.0000276900000000, 0.0001577400000000 ] - [ 0.0002455900000000, -0.0005055900000000, -0.0006255200000000 ] - [ 0.0000247700000000, -0.0021222700000000, -0.0036955800000000 ] - [ -0.0167588800000000, 0.0878712900000000, 0.0049435700000000 ] - [ 0.0003676700000000, 0.0046434500000000, 0.0001936700000000 ] - [ -0.0003160700000000, -0.0044719100000000, -0.0000833800000000 ] - [ -0.0001153800000000, -0.0005591100000000, 0.0000120900000000 ] - [ -0.0001327900000000, 0.0001948300000000, 0.0007487500000000 ] - [ 0.0001815400000000, 0.0009443300000000, 0.0011172500000000 ] - [ 0.0000985500000000, 0.0001539000000000, 0.0001176200000000 ] - [ 0.0001474300000000, 0.0001477900000000, 0.0001109300000000 ] - [ 0.0001149900000000, -0.0001495100000000, -0.0002187900000000 ] - [ 0.0001230900000000, -0.0001503900000000, -0.0002139000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001227000000000, -0.0000144100000000, 0.0002351000000000 ] - [ -0.0001316100000000, -0.0000332000000000, 0.0001966300000000 ] - [ -0.0001310800000000, 0.0000347200000000, -0.0001202400000000 ] - [ -0.0001354300000000, 0.0000347900000000, -0.0001304300000000 ] - [ -0.0027034000000000, 0.0002229000000000, 0.0001311800000000 ] - [ -0.0043504800000000, -0.0143172200000000, 0.0010977800000000 ] - [ -0.0001893500000000, 0.0001760200000000, 0.0007578700000000 ] - [ 0.0002143400000000, -0.0001971300000000, 0.0001907200000000 ] - [ 0.0001521700000000, 0.0000059000000000, 0.0004007700000000 ] - [ 0.0001278600000000, 0.0000227200000000, 0.0003677900000000 ] - [ 0.0001407000000000, -0.0000314100000000, -0.0003264200000000 ] - [ 0.0001345500000000, -0.0000351200000000, -0.0003460800000000 ] - [ 0.0018047400000000, -0.0011076700000000, 0.0016307500000000 ] - [ 0.0025468100000000, -0.0074858500000000, -0.0045704100000000 ] - [ -0.0001693900000000, 0.0001193100000000, 0.0003269300000000 ] - [ -0.0000954600000000, 0.0001172000000000, 0.0004477300000000 ] - [ -0.0210075800000000, 0.0973928700000000, 0.0110444700000000 ] - [ -0.0008204200000000, 0.0017825500000000, -0.0000235700000000 ] - [ -0.0006833000000000, -0.0003349300000000, -0.0000651400000000 ] - [ -0.0013561300000000, -0.0003381400000000, -0.0006595000000000 ] - [ 0.0007148800000000, 0.0000797100000000, 0.0000606800000000 ] - [ 0.0007579500000000, 0.0000867700000000, 0.0000393600000000 ] - [ 0.0007022700000000, -0.0000813300000000, -0.0001332000000000 ] - [ 0.0007293000000000, -0.0000831400000000, -0.0001189700000000 ] - [ 0.0058246700000000, 0.0154995300000000, -0.0043007900000000 ] - [ -0.0005832000000000, 0.0004543300000000, -0.0001362100000000 ] - [ -0.0015534800000000, -0.0028413400000000, -0.0021252600000000 ] - [ -0.0001410400000000, -0.0003729400000000, -0.0001753200000000 ] - [ 0.0005323400000000, -0.0003857300000000, 0.0004640000000000 ] - [ 0.0005455700000000, -0.0003824800000000, 0.0004723600000000 ] - [ 0.0005358300000000, 0.0003951300000000, -0.0006216100000000 ] - [ 0.0005296200000000, 0.0003972600000000, -0.0006448500000000 ] - [ -0.0380881700000000, 0.0024246800000000, 0.0009440100000000 ] - [ 0.0029815900000000, 0.0025820100000000, 0.0007670200000000 ] - [ 0.0007949200000000, -0.0023545400000000, -0.0009256900000000 ] - [ 0.0002235300000000, -0.0012266800000000, -0.0005316900000000 ] - [ -0.0001519000000000, 0.0007985100000000, -0.0003908400000000 ] - [ -0.0001179900000000, 0.0007988000000000, -0.0003793800000000 ] - [ -0.0001141100000000, -0.0007806500000000, 0.0003140600000000 ] - [ -0.0001197600000000, -0.0007788000000000, 0.0003117100000000 ] - [ 0.0389596700000000, -0.0021745700000000, 0.0016434600000000 ] - [ -0.0020264400000000, 0.0009455400000000, -0.0000000500000000 ] - [ -0.0003163200000000, 0.0004794600000000, -0.0011075700000000 ] - [ -0.0001762200000000, 0.0008164900000000, -0.0004618500000000 ] - [ 0.0002057400000000, -0.0008326400000000, -0.0003812300000000 ] - [ 0.0002385300000000, -0.0008097700000000, -0.0003578300000000 ] - [ 0.0002406100000000, 0.0007728900000000, 0.0002733800000000 ] - [ 0.0002322400000000, 0.0007724500000000, 0.0002725300000000 ] - [ 0.0001379400000000, 0.0000524300000000, -0.0004780200000000 ] - [ 0.0002088600000000, 0.0000264100000000, -0.0001269200000000 ] - [ -0.0008539600000000, -0.0046569900000000, 0.0028839100000000 ] - [ 0.0005074100000000, -0.0010494600000000, 0.0008952700000000 ] - [ -0.0001719500000000, -0.0001267300000000, 0.0000880500000000 ] - [ -0.0001695700000000, -0.0001226800000000, 0.0001092200000000 ] - [ -0.0001983000000000, 0.0001890100000000, -0.0000810500000000 ] - [ -0.0001571900000000, 0.0001015800000000, -0.0002694800000000 ] - [ 0.0001849500000000, 0.0000013200000000, -0.0002305200000000 ] - [ 0.0001401800000000, 0.0000731400000000, -0.0003696600000000 ] - [ 0.0001028900000000, 0.0001694500000000, 0.0000893200000000 ] - [ 0.0001041700000000, 0.0001720200000000, 0.0001073300000000 ] - [ 0.0008909600000000, -0.0052880000000000, -0.0023793800000000 ] - [ -0.0002729500000000, -0.0013243000000000, -0.0005019600000000 ] - [ -0.0001277400000000, 0.0002265300000000, -0.0001665600000000 ] - [ -0.0000117700000000, 0.0001323800000000, -0.0000571500000000 ] - [ 0.0005140000000000, 0.0001542000000000, -0.0003944300000000 ] - [ 0.0006584700000000, -0.0001051900000000, -0.0002756600000000 ] - [ 0.0006084400000000, 0.0001230300000000, 0.0001899900000000 ] - [ 0.0005760700000000, 0.0001216800000000, 0.0001936800000000 ] - [ -0.0005333300000000, -0.0010016300000000, 0.0002983300000000 ] - [ -0.0005285700000000, -0.0015575500000000, 0.0002997900000000 ] - [ -0.0007481200000000, 0.0001997300000000, -0.0002164100000000 ] - [ -0.0005410500000000, 0.0001511700000000, -0.0002465800000000 ] - [ 0.0002918200000000, 0.0003832600000000, 0.0001991400000000 ] - [ 0.0002481000000000, 0.0004599600000000, -0.0002523700000000 ] - [ 0.0002488900000000, 0.0002709900000000, -0.0003440700000000 ] - [ 0.0002140500000000, 0.0002880100000000, -0.0003037600000000 ] - [ -0.0002328900000000, -0.0017818400000000, -0.0003396700000000 ] - [ -0.0001653100000000, -0.0006202600000000, -0.0001754400000000 ] - [ -0.0002286500000000, 0.0003469500000000, 0.0000966700000000 ] - [ -0.0002030200000000, 0.0003102800000000, 0.0001929900000000 ] - [ 0.0000188400000000, 0.0000101800000000, 0.0002164500000000 ] - [ -0.0000454900000000, 0.0000599500000000, 0.0001493700000000 ] - [ 0.0000020600000000, 0.0000831100000000, -0.0000674400000000 ] - [ 0.0000352200000000, 0.0000975000000000, -0.0000771900000000 ] - [ 0.0002029500000000, 0.0001109300000000, 0.0007377500000000 ] - [ -0.0000572100000000, -0.0000246900000000, 0.0002460200000000 ] - [ -0.0001666900000000, 0.0000097900000000, -0.0020070700000000 ] - [ 0.0000141300000000, -0.0001579900000000, -0.0002812300000000 ] - [ -0.0001519900000000, -0.0000572400000000, 0.0000218900000000 ] - [ 0.0000238500000000, -0.0002781300000000, 0.0005708500000000 ] - [ 0.0002690700000000, -0.0003231600000000, 0.0002905800000000 ] - [ -0.0000785500000000, -0.0000941000000000, -0.0000688400000000 ] - [ -0.0000612800000000, 0.0000156800000000, 0.0002072500000000 ] - [ -0.0000250900000000, 0.0000120600000000, 0.0001508600000000 ] - [ -0.0000166500000000, 0.0074667900000000, -0.0002811300000000 ] - [ -0.0001011900000000, 0.0022970000000000, -0.0001381300000000 ] - [ -0.0001331300000000, 0.0000136300000000, -0.0001429500000000 ] - [ -0.0001647400000000, 0.0000181100000000, -0.0001680700000000 ] - [ -0.0001008400000000, 0.0000083900000000, 0.0004081700000000 ] - [ -0.0001811300000000, -0.0000140600000000, 0.0003981200000000 ] - [ 0.0000603400000000, 0.0005404900000000, 0.0011813300000000 ] - [ 0.0002661100000000, 0.0021576100000000, 0.0043197400000000 ] - [ 0.0154115400000000, -0.0876918100000000, -0.0051339500000000 ] - [ 0.0000114000000000, -0.0046856500000000, -0.0007355100000000 ] - [ 0.0000440000000000, 0.0047627400000000, -0.0002408200000000 ] - [ -0.0001136400000000, 0.0008524600000000, -0.0003381000000000 ] - [ -0.0000871500000000, -0.0004824200000000, -0.0004294600000000 ] - [ -0.0004390500000000, -0.0012365400000000, -0.0007756400000000 ] - [ 0.0001424100000000, 0.0001398000000000, 0.0002099300000000 ] - [ 0.0000966100000000, 0.0001460000000000, 0.0002160800000000 ] - [ 0.0001274000000000, -0.0001444700000000, -0.0001124400000000 ] - [ 0.0001196000000000, -0.0001436500000000, -0.0001171500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002064300000000, -0.0001414700000000, -0.0006704700000000 ] - [ -0.0001506400000000, 0.0000011800000000, -0.0002849500000000 ] - [ -0.0001190100000000, 0.0000852800000000, -0.0008532100000000 ] - [ -0.0000855800000000, 0.0000820100000000, -0.0007663000000000 ] - [ -0.0002097400000000, -0.0001792100000000, 0.0009307300000000 ] - [ -0.0001766600000000, -0.0003959900000000, 0.0051316500000000 ] - [ -0.0004695300000000, -0.0032419100000000, -0.0026709800000000 ] - [ 0.0000359800000000, 0.0001495000000000, 0.0005195500000000 ] - [ 0.0000878600000000, 0.0002675800000000, -0.0004021400000000 ] - [ 0.0001095000000000, 0.0001311400000000, 0.0000880200000000 ] - [ 0.0001173900000000, -0.0000414600000000, -0.0011681000000000 ] - [ 0.0001583700000000, -0.0000079400000000, -0.0009939000000000 ] - [ -0.0000935000000000, 0.0000511300000000, 0.0003766000000000 ] - [ -0.0030270200000000, 0.0044954400000000, 0.0077631900000000 ] - [ -0.0001392700000000, 0.0002914100000000, 0.0000454000000000 ] - [ -0.0002142700000000, 0.0000883900000000, 0.0002154700000000 ] - [ 0.0911038400000000, -0.0117147200000000, -0.1016451000000000 ] - [ -0.0014533700000000, 0.0000218900000000, -0.0013621400000000 ] - [ -0.0018778100000000, 0.0006535900000000, -0.0004780200000000 ] - [ 0.0001606700000000, 0.0000683700000000, -0.0004801400000000 ] - [ 0.0007863000000000, 0.0000582000000000, 0.0005583300000000 ] - [ 0.0003397800000000, 0.0000359100000000, 0.0007551700000000 ] - [ 0.0010205600000000, -0.0001321800000000, 0.0006128200000000 ] - [ 0.0008332500000000, -0.0001183600000000, 0.0004906200000000 ] - [ -0.0450923100000000, 0.0058232500000000, 0.0182329900000000 ] - [ -0.0002031300000000, -0.0006588400000000, -0.0036850400000000 ] - [ 0.0000971400000000, 0.0013082100000000, -0.0016761800000000 ] - [ -0.0007077100000000, 0.0002522100000000, -0.0016990200000000 ] - [ 0.0005540000000000, -0.0005136500000000, 0.0017761200000000 ] - [ 0.0004206400000000, -0.0005114400000000, 0.0016925000000000 ] - [ 0.0005813600000000, 0.0002776900000000, 0.0006098100000000 ] - [ 0.0006232800000000, 0.0002542700000000, 0.0008402300000000 ] - [ 0.0062615500000000, 0.0033216400000000, -0.0156474400000000 ] - [ -0.0016734400000000, 0.0003646300000000, -0.0018552700000000 ] - [ 0.0005014900000000, -0.0012099900000000, -0.0008969700000000 ] - [ -0.0001988100000000, -0.0009046400000000, -0.0009411600000000 ] - [ 0.0001540500000000, 0.0005478700000000, 0.0002867900000000 ] - [ -0.0001533100000000, 0.0006501900000000, 0.0001139000000000 ] - [ -0.0002901800000000, -0.0009610600000000, 0.0009560900000000 ] - [ -0.0002411000000000, -0.0009756500000000, 0.0009763200000000 ] - [ 0.0142419500000000, -0.0074394700000000, -0.0151059100000000 ] - [ -0.0019431400000000, -0.0004080700000000, -0.0017368500000000 ] - [ 0.0011332000000000, 0.0026256200000000, -0.0006422200000000 ] - [ -0.0007338400000000, 0.0014482300000000, -0.0008326100000000 ] - [ 0.0005188300000000, -0.0004985900000000, 0.0004218800000000 ] - [ 0.0001657200000000, -0.0005877200000000, 0.0002467900000000 ] - [ 0.0000649100000000, 0.0009902200000000, 0.0010251500000000 ] - [ 0.0001260500000000, 0.0010161500000000, 0.0010556800000000 ] - [ 0.0002516000000000, -0.0007699900000000, 0.0020961300000000 ] - [ 0.0004445000000000, -0.0001274800000000, 0.0002687400000000 ] - [ -0.0004587500000000, -0.0016672100000000, 0.0008372400000000 ] - [ 0.0002979900000000, 0.0001917100000000, -0.0003755100000000 ] - [ -0.0000572400000000, 0.0001644600000000, 0.0009656900000000 ] - [ -0.0000864000000000, 0.0001308000000000, 0.0008191500000000 ] - [ -0.0001393000000000, 0.0002657200000000, 0.0002104600000000 ] - [ -0.0004394600000000, 0.0010917600000000, 0.0015936400000000 ] - [ 0.0001451200000000, -0.0002654700000000, 0.0001476000000000 ] - [ -0.0002084300000000, -0.0011056700000000, 0.0013461500000000 ] - [ 0.0002038900000000, 0.0000221200000000, 0.0008382000000000 ] - [ 0.0001752100000000, 0.0000140600000000, 0.0007061900000000 ] - [ -0.0004893700000000, 0.0016436700000000, 0.0008994100000000 ] - [ -0.0000169200000000, -0.0003432600000000, -0.0003672700000000 ] - [ -0.0001443000000000, -0.0001714600000000, 0.0007673500000000 ] - [ 0.0002103400000000, 0.0002037500000000, 0.0004282400000000 ] - [ 0.0005210200000000, -0.0001011100000000, 0.0014503900000000 ] - [ 0.0003599300000000, -0.0001123600000000, -0.0000278100000000 ] - [ 0.0005366600000000, 0.0001666000000000, 0.0007539500000000 ] - [ 0.0006684400000000, 0.0001531000000000, 0.0006810500000000 ] - [ -0.0000124400000000, -0.0001745700000000, -0.0000063600000000 ] - [ -0.0020282300000000, -0.0000351000000000, 0.0005089600000000 ] - [ -0.0004385300000000, -0.0000752100000000, 0.0006312000000000 ] - [ -0.0007582000000000, 0.0001437300000000, 0.0002134800000000 ] - [ 0.0006369200000000, -0.0002450100000000, 0.0002353100000000 ] - [ -0.0015107700000000, -0.0004139200000000, 0.0048435700000000 ] - [ 0.0000224700000000, 0.0002839700000000, 0.0008237100000000 ] - [ 0.0000436100000000, 0.0002665600000000, 0.0005466800000000 ] - [ -0.0002175400000000, -0.0001679300000000, 0.0011289200000000 ] - [ -0.0002584800000000, -0.0003125800000000, -0.0003601700000000 ] - [ -0.0005689800000000, 0.0001123500000000, 0.0018932800000000 ] - [ -0.0003922800000000, 0.0003648400000000, 0.0011172400000000 ] - [ -0.0002120300000000, -0.0001553900000000, -0.0004898900000000 ] - [ 0.0002549800000000, -0.0001763700000000, -0.0003714800000000 ] - [ 0.0001896800000000, 0.0002384200000000, -0.0006629900000000 ] - [ -0.0001069500000000, 0.0002319200000000, -0.0007072000000000 ] - [ -0.0006948700000000, -0.0005010900000000, -0.0005452200000000 ] - [ 0.0006045300000000, -0.0002849800000000, -0.0001288700000000 ] - [ -0.0016900400000000, 0.0011023100000000, -0.0011474500000000 ] - [ 0.0007650100000000, 0.0001491700000000, 0.0001042200000000 ] - [ 0.0000585700000000, -0.0000877000000000, -0.0006641500000000 ] - [ -0.0001048800000000, 0.0000720800000000, -0.0057475200000000 ] - [ -0.0001510700000000, 0.0013595900000000, -0.0031250200000000 ] - [ 0.0001854900000000, -0.0001525700000000, -0.0013761400000000 ] - [ 0.0000370900000000, -0.0001065200000000, -0.0017307300000000 ] - [ -0.0001052000000000, -0.0000666500000000, -0.0013370100000000 ] - [ 0.0019599300000000, -0.0004182200000000, -0.0021744800000000 ] - [ -0.0006491800000000, 0.0000825800000000, 0.0007485400000000 ] - [ -0.0002615400000000, 0.0000940900000000, -0.0023372200000000 ] - [ -0.0000160500000000, 0.0000673300000000, -0.0020925400000000 ] - [ -0.0005746300000000, 0.0000282400000000, -0.0015674000000000 ] - [ 0.0002194900000000, 0.0000395800000000, -0.0014338300000000 ] - [ 0.0017788900000000, -0.0007631700000000, 0.0032931900000000 ] - [ -0.0019639100000000, -0.0015124700000000, 0.0031102300000000 ] - [ -0.0583885200000000, 0.0053544900000000, 0.0997645000000000 ] - [ 0.0022936100000000, 0.0003004400000000, 0.0053106600000000 ] - [ -0.0004336800000000, 0.0001088000000000, 0.0018491400000000 ] - [ 0.0000859100000000, 0.0000293500000000, 0.0011548200000000 ] - [ 0.0017347200000000, 0.0007008200000000, 0.0002359900000000 ] - [ -0.0023299100000000, 0.0005991200000000, 0.0001046400000000 ] - [ -0.0000622600000000, 0.0001002200000000, -0.0006133700000000 ] - [ 0.0003614100000000, 0.0001040700000000, -0.0005798200000000 ] - [ 0.0000642500000000, -0.0001905000000000, -0.0008621600000000 ] - [ 0.0001212000000000, -0.0001967100000000, -0.0008239400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000564100000000, 0.0000755800000000, 0.0010021800000000 ] - [ -0.0001107500000000, -0.0000647600000000, 0.0006217300000000 ] - [ -0.0001418800000000, -0.0000207200000000, 0.0005183700000000 ] - [ -0.0001748000000000, -0.0000175600000000, 0.0004308900000000 ] - [ 0.0005148300000000, 0.0001041200000000, -0.0012705100000000 ] - [ 0.0004461500000000, 0.0004002500000000, -0.0054744000000000 ] - [ 0.0007321400000000, 0.0033137300000000, 0.0030053700000000 ] - [ 0.0002263800000000, -0.0000821000000000, -0.0001858700000000 ] - [ 0.0001862600000000, -0.0002221800000000, 0.0011458000000000 ] - [ 0.0001657500000000, -0.0000875400000000, 0.0006630300000000 ] - [ 0.0001616200000000, -0.0000018300000000, 0.0004214700000000 ] - [ 0.0001211000000000, -0.0000361200000000, 0.0002478000000000 ] - [ -0.0001501700000000, -0.0000076000000000, -0.0010922000000000 ] - [ 0.0024697500000000, -0.0041919500000000, -0.0083580000000000 ] - [ -0.0001425000000000, -0.0003336100000000, 0.0006977500000000 ] - [ -0.0000626100000000, -0.0001312200000000, 0.0005288700000000 ] - [ -0.0924902800000000, 0.0115965700000000, 0.1013703100000000 ] - [ -0.0000489600000000, 0.0001476000000000, 0.0011973200000000 ] - [ 0.0004279900000000, -0.0008251700000000, 0.0006597800000000 ] - [ -0.0016136600000000, -0.0002375200000000, 0.0006574900000000 ] - [ 0.0006699400000000, 0.0001112100000000, -0.0003852000000000 ] - [ 0.0011102000000000, 0.0001327300000000, -0.0005802300000000 ] - [ 0.0004284400000000, -0.0000366600000000, -0.0007860100000000 ] - [ 0.0006222100000000, -0.0000505000000000, -0.0006622300000000 ] - [ 0.0449258500000000, -0.0067512200000000, -0.0199439500000000 ] - [ -0.0008792600000000, -0.0001195200000000, 0.0025895700000000 ] - [ -0.0011651600000000, -0.0005306100000000, 0.0027853600000000 ] - [ -0.0003733000000000, 0.0005285200000000, 0.0028154700000000 ] - [ 0.0005206100000000, -0.0002620100000000, -0.0006758400000000 ] - [ 0.0006516400000000, -0.0002648200000000, -0.0005899500000000 ] - [ 0.0004904500000000, 0.0004990100000000, -0.0017129100000000 ] - [ 0.0004505800000000, 0.0005212900000000, -0.0019358300000000 ] - [ -0.0061739800000000, -0.0017193500000000, 0.0163730700000000 ] - [ 0.0018931600000000, 0.0012238600000000, 0.0025460400000000 ] - [ -0.0002472200000000, -0.0003803300000000, 0.0001968900000000 ] - [ 0.0004485600000000, -0.0006832300000000, 0.0002458300000000 ] - [ -0.0004060200000000, 0.0010446300000000, -0.0009894900000000 ] - [ -0.0001018200000000, 0.0009412700000000, -0.0008188300000000 ] - [ 0.0000366800000000, -0.0006293800000000, -0.0002512900000000 ] - [ -0.0000105400000000, -0.0006141900000000, -0.0002719000000000 ] - [ -0.0148998600000000, 0.0058603800000000, 0.0157057900000000 ] - [ 0.0014600800000000, -0.0011736400000000, 0.0023636600000000 ] - [ -0.0015904500000000, -0.0010500000000000, 0.0000104700000000 ] - [ 0.0002728100000000, 0.0001196100000000, 0.0002084600000000 ] - [ -0.0000614100000000, -0.0010842700000000, -0.0010584600000000 ] - [ 0.0002893900000000, -0.0009915600000000, -0.0008831000000000 ] - [ 0.0003921600000000, 0.0005872300000000, -0.0003898200000000 ] - [ 0.0003307800000000, 0.0005642300000000, -0.0004181000000000 ] - [ 0.0000718500000000, 0.0005962300000000, -0.0024387900000000 ] - [ -0.0001252600000000, -0.0000415900000000, -0.0006145200000000 ] - [ 0.0007848000000000, 0.0018302600000000, -0.0004949800000000 ] - [ 0.0000153100000000, -0.0000143500000000, 0.0007101000000000 ] - [ -0.0002638800000000, -0.0003300900000000, -0.0006172300000000 ] - [ -0.0002363200000000, -0.0003003100000000, -0.0004741600000000 ] - [ -0.0001809600000000, -0.0001005100000000, -0.0005644700000000 ] - [ 0.0001155000000000, -0.0009165000000000, -0.0019284800000000 ] - [ 0.0000708700000000, -0.0000230800000000, -0.0004684500000000 ] - [ 0.0004218300000000, 0.0008086000000000, -0.0016516200000000 ] - [ 0.0000131200000000, 0.0002635100000000, -0.0005196700000000 ] - [ 0.0000429400000000, 0.0002706000000000, -0.0003872300000000 ] - [ 0.0002728000000000, -0.0019180100000000, -0.0005790400000000 ] - [ -0.0002066400000000, 0.0000496800000000, 0.0006745700000000 ] - [ -0.0000692600000000, 0.0004676800000000, -0.0010783500000000 ] - [ -0.0004304000000000, 0.0000844500000000, -0.0007458700000000 ] - [ 0.0006611800000000, -0.0001552200000000, -0.0019245600000000 ] - [ 0.0008108800000000, -0.0001432600000000, -0.0004659300000000 ] - [ 0.0006448400000000, 0.0000896200000000, -0.0002617200000000 ] - [ 0.0005126300000000, 0.0001042100000000, -0.0001895700000000 ] - [ -0.0011708500000000, -0.0000793300000000, 0.0004877900000000 ] - [ 0.0008341400000000, -0.0002192300000000, -0.0000161800000000 ] - [ -0.0007423200000000, 0.0003312300000000, -0.0011228600000000 ] - [ -0.0004251800000000, 0.0001118300000000, -0.0007031300000000 ] - [ -0.0002293100000000, -0.0003369900000000, 0.0001322700000000 ] - [ 0.0018951100000000, -0.0001681200000000, -0.0044152200000000 ] - [ 0.0003895800000000, 0.0002986400000000, -0.0012174200000000 ] - [ 0.0003656700000000, 0.0003173100000000, -0.0009352800000000 ] - [ -0.0001932200000000, -0.0004133900000000, -0.0015121700000000 ] - [ -0.0001569400000000, -0.0002708500000000, -0.0000410200000000 ] - [ 0.0001602700000000, 0.0004703200000000, -0.0015067900000000 ] - [ -0.0000189600000000, 0.0002177600000000, -0.0007260400000000 ] - [ 0.0001780100000000, 0.0003021900000000, 0.0006800000000000 ] - [ -0.0002892000000000, 0.0003230900000000, 0.0005601400000000 ] - [ -0.0001557100000000, -0.0000925300000000, 0.0004739600000000 ] - [ 0.0001405700000000, -0.0000867200000000, 0.0005173300000000 ] - [ 0.0007178800000000, 0.0003501600000000, 0.0007350000000000 ] - [ -0.0005633000000000, 0.0001363700000000, 0.0003207700000000 ] - [ 0.0016311700000000, -0.0012345300000000, 0.0009650400000000 ] - [ -0.0007886000000000, -0.0002916300000000, -0.0002934000000000 ] - [ -0.0001156800000000, 0.0000766800000000, 0.0007042800000000 ] - [ 0.0000427800000000, -0.0000819400000000, 0.0057243900000000 ] - [ 0.0002129900000000, -0.0013510300000000, 0.0031408100000000 ] - [ -0.0001146000000000, 0.0001648100000000, 0.0013944600000000 ] - [ -0.0001057700000000, 0.0001175400000000, 0.0017124400000000 ] - [ 0.0000382200000000, 0.0000780500000000, 0.0013181900000000 ] - [ -0.0018850100000000, 0.0003937600000000, 0.0021497700000000 ] - [ 0.0007209200000000, -0.0000958500000000, -0.0007423100000000 ] - [ -0.0000320000000000, -0.0000526600000000, 0.0017745300000000 ] - [ -0.0002777500000000, -0.0000257200000000, 0.0015335100000000 ] - [ 0.0002759200000000, -0.0000698800000000, 0.0021274300000000 ] - [ -0.0005085600000000, -0.0000812700000000, 0.0019935300000000 ] - [ -0.0014856500000000, 0.0008115400000000, -0.0027645400000000 ] - [ 0.0022582300000000, 0.0015575000000000, -0.0025664400000000 ] - [ 0.0584341900000000, -0.0053304800000000, -0.0997093600000000 ] - [ -0.0019332300000000, -0.0003315900000000, -0.0058625800000000 ] - [ 0.0001750000000000, 0.0001851000000000, -0.0021756700000000 ] - [ -0.0003204900000000, 0.0002632500000000, -0.0014811600000000 ] - [ -0.0019732700000000, -0.0009983100000000, 0.0000803600000000 ] - [ 0.0020617200000000, -0.0008707100000000, 0.0001336700000000 ] - [ 0.0003012000000000, 0.0001937200000000, 0.0009407800000000 ] - [ -0.0001168200000000, 0.0001899200000000, 0.0009072000000000 ] - [ 0.0001778600000000, -0.0001033800000000, 0.0005335400000000 ] - [ 0.0001206600000000, -0.0000972200000000, 0.0004956900000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000941400000000, 0.0000207700000000, 0.0003430800000000 ] - [ -0.0001529400000000, -0.0000565300000000, 0.0001295200000000 ] - [ -0.0001003000000000, 0.0000173000000000, -0.0000899300000000 ] - [ -0.0001630500000000, 0.0000301800000000, -0.0001155500000000 ] - [ -0.0013165900000000, 0.0006557200000000, -0.0018029200000000 ] - [ -0.0014754900000000, -0.0032214800000000, 0.0006304700000000 ] - [ 0.0034875200000000, 0.0008491700000000, 0.0011777700000000 ] - [ -0.0011484000000000, 0.0000904400000000, 0.0000456300000000 ] - [ 0.0001754600000000, -0.0000447200000000, 0.0005552300000000 ] - [ 0.0001114000000000, 0.0000206000000000, 0.0002663600000000 ] - [ 0.0001999000000000, 0.0000059400000000, -0.0002486600000000 ] - [ 0.0000874500000000, -0.0000332900000000, -0.0003353500000000 ] - [ -0.0012347900000000, 0.0000633200000000, -0.0012673700000000 ] - [ -0.0025156800000000, 0.0025556600000000, 0.0016662200000000 ] - [ 0.0009269100000000, -0.0000240000000000, 0.0003702200000000 ] - [ -0.0010351800000000, -0.0001187800000000, 0.0004077900000000 ] - [ 0.0126892700000000, -0.0063077700000000, -0.0447222600000000 ] - [ 0.0029032500000000, 0.0001256300000000, 0.0002631000000000 ] - [ -0.0013318200000000, -0.0011013000000000, -0.0005412400000000 ] - [ 0.0011219800000000, 0.0003149100000000, 0.0002578300000000 ] - [ 0.0006141500000000, 0.0000809800000000, 0.0001005300000000 ] - [ 0.0008722600000000, 0.0000949100000000, -0.0000313800000000 ] - [ 0.0006433200000000, -0.0000777200000000, -0.0001755300000000 ] - [ 0.0007678300000000, -0.0000849400000000, -0.0001336300000000 ] - [ -0.0833611600000000, -0.0012517200000000, 0.0341952800000000 ] - [ 0.0014233600000000, -0.0003334000000000, -0.0002505600000000 ] - [ -0.0000488500000000, 0.0015117300000000, 0.0007684600000000 ] - [ -0.0000524800000000, -0.0003645900000000, 0.0006137600000000 ] - [ 0.0004964100000000, -0.0003759300000000, 0.0004351700000000 ] - [ 0.0005839700000000, -0.0003749800000000, 0.0004399800000000 ] - [ 0.0005443800000000, 0.0003937600000000, -0.0006398100000000 ] - [ 0.0005119700000000, 0.0004048400000000, -0.0007373500000000 ] - [ -0.0124849100000000, 0.0109158500000000, 0.0185062100000000 ] - [ 0.0025941100000000, 0.0015148900000000, 0.0007322100000000 ] - [ -0.0002351200000000, -0.0003646500000000, -0.0000935400000000 ] - [ 0.0006817200000000, -0.0007439000000000, -0.0006064000000000 ] - [ -0.0002313300000000, 0.0008432200000000, -0.0004407800000000 ] - [ -0.0000467100000000, 0.0007905900000000, -0.0003627100000000 ] - [ -0.0001037800000000, -0.0007806700000000, 0.0002821700000000 ] - [ -0.0001179100000000, -0.0007744400000000, 0.0002896800000000 ] - [ -0.0145075800000000, -0.0056780100000000, 0.0168070100000000 ] - [ 0.0018462600000000, -0.0012096400000000, 0.0007041000000000 ] - [ 0.0020095000000000, 0.0044286800000000, 0.0013110500000000 ] - [ 0.0005502800000000, -0.0001382300000000, -0.0007855500000000 ] - [ 0.0001110400000000, -0.0008402600000000, -0.0004142500000000 ] - [ 0.0003201400000000, -0.0008013100000000, -0.0003432100000000 ] - [ 0.0002548100000000, 0.0007692500000000, 0.0002313600000000 ] - [ 0.0002323600000000, 0.0007679500000000, 0.0002494100000000 ] - [ -0.0011067800000000, 0.0002668800000000, -0.0018804800000000 ] - [ 0.0010099000000000, -0.0002669200000000, 0.0003544300000000 ] - [ -0.0001824800000000, 0.0004737500000000, -0.0002801900000000 ] - [ 0.0004703700000000, -0.0000150900000000, 0.0005036500000000 ] - [ -0.0002513200000000, -0.0000823900000000, 0.0001727800000000 ] - [ -0.0000846600000000, -0.0001059800000000, 0.0000616900000000 ] - [ -0.0001457800000000, 0.0001714200000000, 0.0000781200000000 ] - [ -0.0001719400000000, -0.0002406400000000, -0.0007808000000000 ] - [ 0.0001366500000000, -0.0002185500000000, 0.0000976300000000 ] - [ 0.0001117700000000, 0.0001810000000000, -0.0006912800000000 ] - [ 0.0000073200000000, 0.0001339100000000, 0.0001572400000000 ] - [ 0.0001934500000000, 0.0001481300000000, 0.0000629000000000 ] - [ -0.0003411000000000, -0.0007793700000000, -0.0003073600000000 ] - [ 0.0002234400000000, 0.0000325200000000, 0.0004615700000000 ] - [ -0.0010338400000000, 0.0001208300000000, -0.0009420700000000 ] - [ 0.0007847000000000, 0.0002782300000000, 0.0004308800000000 ] - [ 0.0001826400000000, -0.0001152700000000, -0.0006736700000000 ] - [ 0.0010097300000000, -0.0001256600000000, -0.0001049200000000 ] - [ 0.0003352900000000, 0.0001161900000000, 0.0001649400000000 ] - [ 0.0008327900000000, 0.0001357800000000, 0.0002590400000000 ] - [ -0.0004275600000000, -0.0001503100000000, 0.0005757500000000 ] - [ -0.0002862400000000, -0.0001748900000000, 0.0001080600000000 ] - [ -0.0020275000000000, 0.0001528900000000, 0.0000677000000000 ] - [ 0.0007261300000000, 0.0001111300000000, -0.0007018500000000 ] - [ 0.0004820100000000, -0.0003571100000000, 0.0009607300000000 ] - [ 0.0005190100000000, -0.0001995200000000, -0.0016678100000000 ] - [ -0.0001146100000000, 0.0003199700000000, -0.0000286300000000 ] - [ 0.0005071800000000, 0.0002807400000000, -0.0004597800000000 ] - [ -0.0002982500000000, -0.0003580900000000, -0.0007608600000000 ] - [ 0.0000087400000000, -0.0002635600000000, 0.0002229500000000 ] - [ -0.0004640100000000, 0.0003759600000000, -0.0003044100000000 ] - [ 0.0001234300000000, 0.0003077000000000, 0.0002905700000000 ] - [ 0.0000178500000000, 0.0001174500000000, -0.0004295000000000 ] - [ -0.0001240000000000, 0.0001458900000000, 0.0006042200000000 ] - [ -0.0000356500000000, 0.0000213500000000, 0.0001557100000000 ] - [ 0.0000508500000000, 0.0000618200000000, -0.0002207100000000 ] - [ 0.0004468900000000, -0.0000267800000000, -0.0000378800000000 ] - [ -0.0003362600000000, 0.0000177000000000, 0.0001401200000000 ] - [ 0.0007389500000000, -0.0002609200000000, -0.0006267300000000 ] - [ -0.0004963100000000, -0.0001989700000000, -0.0000196600000000 ] - [ -0.0005516300000000, -0.0000237900000000, -0.0008865500000000 ] - [ 0.0006787400000000, -0.0000551700000000, 0.0021839600000000 ] - [ 0.0025360000000000, -0.0004696300000000, 0.0012909400000000 ] - [ -0.0021100700000000, -0.0000488300000000, -0.0007088600000000 ] - [ 0.0003813800000000, 0.0000275400000000, -0.0000885800000000 ] - [ -0.0004341000000000, 0.0000138000000000, 0.0002768400000000 ] - [ -0.0005252300000000, 0.0002047400000000, 0.0008860700000000 ] - [ -0.0004076700000000, -0.0000757500000000, -0.0007412000000000 ] - [ -0.0000754400000000, 0.0000038600000000, -0.0000362100000000 ] - [ -0.0002194000000000, 0.0000281100000000, -0.0001076100000000 ] - [ 0.0000881100000000, -0.0000228600000000, 0.0004542300000000 ] - [ -0.0003723500000000, -0.0000258200000000, 0.0004407700000000 ] - [ -0.0001658000000000, 0.0018328200000000, 0.0008194800000000 ] - [ -0.0023659600000000, -0.0029562800000000, 0.0006986100000000 ] - [ 0.0861857700000000, -0.0022786100000000, -0.0236524600000000 ] - [ -0.0059425700000000, -0.0003660900000000, -0.0008649000000000 ] - [ 0.0013532700000000, 0.0000208300000000, -0.0000964500000000 ] - [ -0.0010481800000000, 0.0001851200000000, -0.0002275300000000 ] - [ 0.0054227700000000, 0.0018856700000000, -0.0013298000000000 ] - [ 0.0010963700000000, -0.0000898200000000, -0.0012637600000000 ] - [ 0.0002385400000000, 0.0001499800000000, 0.0002367500000000 ] - [ -0.0000036300000000, 0.0001501200000000, 0.0002598700000000 ] - [ 0.0001310500000000, -0.0001453100000000, -0.0001027800000000 ] - [ 0.0001164300000000, -0.0001399100000000, -0.0000945400000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001678000000000, -0.0000848500000000, -0.0000021900000000 ] - [ -0.0001075300000000, -0.0000062000000000, 0.0002132900000000 ] - [ -0.0001601500000000, 0.0000466600000000, -0.0002394900000000 ] - [ -0.0000978300000000, 0.0000342700000000, -0.0002140800000000 ] - [ 0.0016071100000000, -0.0007204300000000, 0.0014320500000000 ] - [ 0.0017253300000000, 0.0031542100000000, -0.0009751600000000 ] - [ -0.0031742700000000, -0.0006873600000000, -0.0007787300000000 ] - [ 0.0014049300000000, -0.0000230500000000, 0.0002876100000000 ] - [ 0.0000990800000000, 0.0000875500000000, 0.0001957300000000 ] - [ 0.0001649600000000, 0.0000211800000000, 0.0004872900000000 ] - [ 0.0000800400000000, -0.0000487400000000, -0.0004921000000000 ] - [ 0.0001917600000000, -0.0000107800000000, -0.0004048700000000 ] - [ 0.0009985000000000, -0.0000226700000000, 0.0005259000000000 ] - [ 0.0022285700000000, -0.0025092700000000, -0.0024094200000000 ] - [ -0.0012040500000000, -0.0000202900000000, 0.0003754300000000 ] - [ 0.0007542700000000, 0.0000739400000000, 0.0003394500000000 ] - [ -0.0144840100000000, 0.0065877300000000, 0.0452946000000000 ] - [ -0.0043689700000000, 0.0000478700000000, -0.0004117000000000 ] - [ -0.0001268600000000, 0.0009232000000000, 0.0007202200000000 ] - [ -0.0025770100000000, -0.0004844800000000, -0.0000778000000000 ] - [ 0.0008453900000000, 0.0000895900000000, 0.0000661300000000 ] - [ 0.0005842500000000, 0.0000750500000000, 0.0001984400000000 ] - [ 0.0008063600000000, -0.0000917000000000, -0.0000021000000000 ] - [ 0.0006896800000000, -0.0000844700000000, -0.0000417300000000 ] - [ 0.0822132400000000, 0.0002146300000000, -0.0340920900000000 ] - [ -0.0024946100000000, -0.0004424900000000, -0.0008233700000000 ] - [ -0.0010193200000000, -0.0007343900000000, 0.0003574000000000 ] - [ -0.0010230400000000, 0.0011363300000000, 0.0005142400000000 ] - [ 0.0005772700000000, -0.0003984800000000, 0.0006589900000000 ] - [ 0.0004889000000000, -0.0004000400000000, 0.0006567800000000 ] - [ 0.0005264200000000, 0.0003837700000000, -0.0004788700000000 ] - [ 0.0005607200000000, 0.0003718000000000, -0.0003754500000000 ] - [ 0.0126365800000000, -0.0092386400000000, -0.0178428300000000 ] - [ -0.0023343600000000, 0.0000826300000000, -0.0000162300000000 ] - [ 0.0004904600000000, -0.0012276500000000, -0.0006039200000000 ] - [ -0.0004281700000000, -0.0008420400000000, -0.0000910300000000 ] - [ -0.0000244700000000, 0.0007543400000000, -0.0002702000000000 ] - [ -0.0002093000000000, 0.0008048800000000, -0.0003487100000000 ] - [ -0.0001495900000000, -0.0008102900000000, 0.0004190100000000 ] - [ -0.0001338800000000, -0.0008158400000000, 0.0004109600000000 ] - [ 0.0139545300000000, 0.0040331100000000, -0.0162652600000000 ] - [ -0.0022977200000000, -0.0003773900000000, -0.0000548300000000 ] - [ -0.0024815000000000, -0.0028749200000000, -0.0019616000000000 ] - [ -0.0010050600000000, 0.0017000100000000, 0.0001559100000000 ] - [ 0.0003423100000000, -0.0007482800000000, -0.0002326800000000 ] - [ 0.0001343600000000, -0.0007824500000000, -0.0003014100000000 ] - [ 0.0002024300000000, 0.0008088300000000, 0.0004005600000000 ] - [ 0.0002243900000000, 0.0008125800000000, 0.0003843400000000 ] - [ 0.0014254300000000, -0.0004376300000000, 0.0015076900000000 ] - [ -0.0006884700000000, 0.0000999900000000, -0.0007052800000000 ] - [ 0.0005152200000000, -0.0002957400000000, 0.0006214100000000 ] - [ -0.0001591000000000, 0.0001844500000000, -0.0001550400000000 ] - [ -0.0000696000000000, -0.0000818400000000, 0.0001722900000000 ] - [ -0.0002368800000000, -0.0000620600000000, 0.0002799500000000 ] - [ -0.0001737900000000, -0.0000118600000000, -0.0004403000000000 ] - [ -0.0001460400000000, 0.0004041100000000, 0.0004290200000000 ] - [ 0.0000800800000000, -0.0000649600000000, -0.0004260300000000 ] - [ 0.0001082700000000, -0.0004662000000000, 0.0003702900000000 ] - [ 0.0002101900000000, 0.0001496600000000, 0.0001589100000000 ] - [ 0.0000261600000000, 0.0001346000000000, 0.0002536500000000 ] - [ 0.0001293700000000, 0.0004893900000000, 0.0006243500000000 ] - [ -0.0004501000000000, -0.0003218200000000, -0.0001432800000000 ] - [ 0.0008137200000000, 0.0001744300000000, 0.0006168400000000 ] - [ -0.0010034500000000, 0.0000069400000000, -0.0007562300000000 ] - [ 0.0010045800000000, -0.0001415300000000, 0.0001798400000000 ] - [ 0.0001577300000000, -0.0001300700000000, -0.0003921800000000 ] - [ 0.0008427300000000, 0.0001398900000000, 0.0003232000000000 ] - [ 0.0003470100000000, 0.0001214700000000, 0.0002290500000000 ] - [ -0.0007624100000000, -0.0001043200000000, -0.0000902300000000 ] - [ -0.0008917100000000, -0.0000816000000000, 0.0003830400000000 ] - [ 0.0008407400000000, 0.0001036800000000, -0.0005642500000000 ] - [ -0.0018981200000000, 0.0001438300000000, 0.0002024900000000 ] - [ -0.0000827300000000, -0.0002256800000000, -0.0005942200000000 ] - [ -0.0001061900000000, -0.0003829600000000, 0.0020626800000000 ] - [ 0.0005286600000000, 0.0002629900000000, -0.0003770000000000 ] - [ -0.0000933100000000, 0.0003034800000000, 0.0000581300000000 ] - [ -0.0001126200000000, -0.0002249500000000, 0.0003632400000000 ] - [ -0.0004250200000000, -0.0003200500000000, -0.0006231700000000 ] - [ 0.0000551000000000, 0.0002086900000000, 0.0006791700000000 ] - [ -0.0005315600000000, 0.0002744200000000, 0.0000954300000000 ] - [ -0.0000507000000000, 0.0000304300000000, 0.0006233900000000 ] - [ 0.0000887200000000, 0.0000028900000000, -0.0004083100000000 ] - [ 0.0000687500000000, 0.0001220500000000, -0.0003403600000000 ] - [ -0.0000166900000000, 0.0000818700000000, 0.0000346700000000 ] - [ -0.0004173500000000, -0.0001169200000000, 0.0002380200000000 ] - [ 0.0003715400000000, -0.0001627600000000, 0.0000565400000000 ] - [ -0.0007810500000000, 0.0001113200000000, 0.0004571900000000 ] - [ 0.0004661400000000, 0.0000553700000000, -0.0001760400000000 ] - [ 0.0004972100000000, 0.0000141200000000, 0.0009392200000000 ] - [ -0.0007561700000000, 0.0000456300000000, -0.0021631100000000 ] - [ -0.0024577900000000, 0.0004695200000000, -0.0012449700000000 ] - [ 0.0021672000000000, 0.0000628200000000, 0.0007387600000000 ] - [ -0.0004489100000000, -0.0000163500000000, 0.0000832800000000 ] - [ 0.0003647300000000, -0.0000023600000000, -0.0002822900000000 ] - [ 0.0005850800000000, -0.0002189800000000, -0.0008938800000000 ] - [ 0.0004934200000000, 0.0000664800000000, 0.0007324800000000 ] - [ -0.0002159900000000, 0.0000368400000000, -0.0005080500000000 ] - [ -0.0000738100000000, 0.0000129800000000, -0.0004346200000000 ] - [ -0.0003811800000000, -0.0000188000000000, 0.0001223700000000 ] - [ 0.0000812900000000, -0.0000162800000000, 0.0001340200000000 ] - [ 0.0004627100000000, -0.0017736800000000, -0.0002945800000000 ] - [ 0.0026607400000000, 0.0030028900000000, -0.0001747500000000 ] - [ -0.0854715300000000, 0.0020957300000000, 0.0214753400000000 ] - [ 0.0062320200000000, 0.0003233900000000, 0.0002639200000000 ] - [ -0.0016020400000000, 0.0002764600000000, -0.0002476300000000 ] - [ 0.0008071900000000, 0.0001094300000000, -0.0001116500000000 ] - [ -0.0053837500000000, -0.0020474800000000, 0.0015048500000000 ] - [ -0.0014923000000000, -0.0001393700000000, 0.0015218900000000 ] - [ 0.0000023100000000, 0.0001446500000000, 0.0000985700000000 ] - [ 0.0002464400000000, 0.0001445600000000, 0.0000746600000000 ] - [ 0.0001116400000000, -0.0001484300000000, -0.0002203800000000 ] - [ 0.0001259500000000, -0.0001537900000000, -0.0002284200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001388500000000, -0.0000405900000000, 0.0000304500000000 ] - [ -0.0001412400000000, -0.0000387900000000, 0.0000345200000000 ] - [ -0.0001182000000000, 0.0000218900000000, -0.0003146900000000 ] - [ -0.0001209500000000, 0.0000241800000000, -0.0002831700000000 ] - [ 0.0025720500000000, 0.0000501200000000, 0.0005212300000000 ] - [ -0.0003745200000000, 0.0011965400000000, 0.0007383300000000 ] - [ 0.0009839600000000, 0.0120682600000000, 0.0075125700000000 ] - [ 0.0002507700000000, 0.0005248800000000, 0.0002840300000000 ] - [ 0.0001226900000000, 0.0000452700000000, 0.0002665700000000 ] - [ 0.0001328400000000, 0.0000482300000000, 0.0002765200000000 ] - [ 0.0001495200000000, 0.0000171900000000, -0.0005168200000000 ] - [ 0.0001484500000000, 0.0000207100000000, -0.0004579300000000 ] - [ -0.0033783600000000, 0.0011323000000000, -0.0019766200000000 ] - [ 0.0005952100000000, -0.0004431100000000, -0.0007457500000000 ] - [ -0.0003289900000000, -0.0011646500000000, 0.0004175000000000 ] - [ -0.0000704700000000, -0.0002923000000000, 0.0001857800000000 ] - [ -0.0053103900000000, -0.0157983300000000, 0.0061168200000000 ] - [ -0.0003003200000000, -0.0007568200000000, -0.0003504600000000 ] - [ -0.0033253200000000, 0.0031130000000000, 0.0010019700000000 ] - [ 0.0000660800000000, 0.0006773700000000, -0.0000471100000000 ] - [ 0.0006935500000000, 0.0000827300000000, 0.0002099500000000 ] - [ 0.0006910000000000, 0.0000790300000000, 0.0002068600000000 ] - [ 0.0007815400000000, -0.0000941300000000, 0.0000433800000000 ] - [ 0.0007429900000000, -0.0000915500000000, 0.0000221300000000 ] - [ -0.0014995100000000, -0.0913407800000000, -0.0598231400000000 ] - [ -0.0004822700000000, -0.0007887800000000, -0.0010109000000000 ] - [ 0.0002091700000000, 0.0014150100000000, -0.0000221400000000 ] - [ -0.0016558100000000, 0.0014170900000000, 0.0001916200000000 ] - [ 0.0005260400000000, -0.0004054700000000, 0.0008162700000000 ] - [ 0.0005245900000000, -0.0004096500000000, 0.0007963500000000 ] - [ 0.0005411700000000, 0.0003648500000000, -0.0003032400000000 ] - [ 0.0005531800000000, 0.0003620600000000, -0.0002997700000000 ] - [ 0.0095202600000000, 0.0073111700000000, 0.0426730200000000 ] - [ -0.0001338300000000, 0.0006724200000000, 0.0001694600000000 ] - [ -0.0004277800000000, 0.0013482300000000, -0.0005180500000000 ] - [ -0.0010061600000000, 0.0008030900000000, -0.0001709500000000 ] - [ -0.0001007300000000, 0.0007701300000000, -0.0002391100000000 ] - [ -0.0001036000000000, 0.0007605700000000, -0.0002400300000000 ] - [ -0.0001661800000000, -0.0008426900000000, 0.0004736000000000 ] - [ -0.0001398300000000, -0.0008365200000000, 0.0004607200000000 ] - [ -0.0046471600000000, -0.0061864600000000, -0.0338022200000000 ] - [ -0.0001768200000000, -0.0012094100000000, 0.0001911500000000 ] - [ 0.0031868100000000, 0.0040339400000000, 0.0007342700000000 ] - [ -0.0013824700000000, 0.0009159200000000, -0.0000437600000000 ] - [ 0.0002563800000000, -0.0007225500000000, -0.0001600200000000 ] - [ 0.0002496800000000, -0.0007372000000000, -0.0001836100000000 ] - [ 0.0001863600000000, 0.0008416000000000, 0.0004610000000000 ] - [ 0.0002188400000000, 0.0008393100000000, 0.0004455100000000 ] - [ 0.0001020300000000, -0.0018445600000000, 0.0015234100000000 ] - [ 0.0001887200000000, -0.0003794700000000, -0.0001826900000000 ] - [ 0.0005814200000000, 0.0007011500000000, -0.0001716500000000 ] - [ -0.0000569000000000, 0.0010291500000000, -0.0005077000000000 ] - [ -0.0001245700000000, 0.0000926300000000, 0.0004662300000000 ] - [ -0.0001299500000000, 0.0000340300000000, 0.0003672800000000 ] - [ -0.0001196000000000, 0.0000771400000000, -0.0000684100000000 ] - [ -0.0001609900000000, 0.0001788700000000, 0.0000572100000000 ] - [ 0.0000294700000000, -0.0003953300000000, 0.0001628800000000 ] - [ 0.0000718600000000, -0.0002807700000000, 0.0000378200000000 ] - [ 0.0001292100000000, 0.0000458100000000, 0.0003930200000000 ] - [ 0.0001221700000000, 0.0000584600000000, 0.0003202600000000 ] - [ -0.0006150900000000, 0.0008045200000000, 0.0005807100000000 ] - [ 0.0002876800000000, 0.0010596100000000, 0.0007731700000000 ] - [ -0.0001968200000000, -0.0005940300000000, -0.0013228300000000 ] - [ -0.0002010600000000, 0.0001863300000000, -0.0003071100000000 ] - [ 0.0006021100000000, -0.0002577700000000, -0.0000768000000000 ] - [ 0.0006633000000000, -0.0001074700000000, -0.0000872500000000 ] - [ 0.0005425400000000, 0.0001753500000000, 0.0004563500000000 ] - [ 0.0006099600000000, 0.0001500000000000, 0.0003934300000000 ] - [ -0.0005533900000000, 0.0008102800000000, 0.0002814600000000 ] - [ -0.0007143100000000, 0.0002300700000000, 0.0002461000000000 ] - [ -0.0003530100000000, -0.0003936100000000, -0.0002641400000000 ] - [ -0.0004741900000000, 0.0000145900000000, -0.0003917800000000 ] - [ 0.0002894400000000, -0.0012158200000000, 0.0007250700000000 ] - [ 0.0001411200000000, -0.0003480400000000, 0.0007036600000000 ] - [ 0.0001324600000000, 0.0004209900000000, 0.0003563500000000 ] - [ 0.0001115100000000, 0.0003211300000000, 0.0001315500000000 ] - [ -0.0002080500000000, 0.0000139000000000, -0.0000220500000000 ] - [ -0.0001876300000000, 0.0000146300000000, -0.0000660300000000 ] - [ -0.0001866500000000, -0.0002822300000000, 0.0004808400000000 ] - [ -0.0001393400000000, 0.0002532200000000, 0.0002210500000000 ] - [ -0.0001725900000000, 0.0002129900000000, -0.0002665000000000 ] - [ 0.0001474500000000, 0.0001928700000000, -0.0002183700000000 ] - [ 0.0000208500000000, -0.0000059300000000, -0.0001245600000000 ] - [ -0.0000239900000000, 0.0000070600000000, -0.0001469400000000 ] - [ 0.0001051600000000, -0.0002656400000000, -0.0005520200000000 ] - [ -0.0000039100000000, -0.0001075300000000, -0.0000298400000000 ] - [ -0.0004496900000000, -0.0000612400000000, 0.0011831100000000 ] - [ 0.0000528300000000, 0.0000043900000000, -0.0000897100000000 ] - [ -0.0001384700000000, -0.0000731000000000, -0.0006511900000000 ] - [ -0.0001061800000000, 0.0000671900000000, -0.0006478800000000 ] - [ -0.0002765300000000, 0.0031194300000000, -0.0001486300000000 ] - [ -0.0001228600000000, 0.0002583500000000, 0.0000487400000000 ] - [ 0.0000591900000000, -0.0000718100000000, -0.0008042700000000 ] - [ -0.0000406700000000, -0.0000212300000000, -0.0004993400000000 ] - [ 0.0002362600000000, -0.0016856400000000, -0.0002055800000000 ] - [ -0.0000513900000000, -0.0022225300000000, -0.0000760000000000 ] - [ -0.0001764300000000, 0.0000375800000000, -0.0006507600000000 ] - [ -0.0001052300000000, 0.0000324300000000, -0.0006545300000000 ] - [ -0.0001574700000000, -0.0000453600000000, -0.0001172000000000 ] - [ -0.0001477900000000, -0.0000149100000000, -0.0000888300000000 ] - [ 0.0049033200000000, -0.0024321000000000, 0.0001948200000000 ] - [ -0.0015779700000000, -0.0049983300000000, 0.0013295000000000 ] - [ -0.0028929200000000, 0.0895191200000000, 0.0327714000000000 ] - [ -0.0000325600000000, 0.0004148200000000, 0.0004083500000000 ] - [ 0.0001280400000000, -0.0042927500000000, 0.0006020900000000 ] - [ -0.0001132800000000, -0.0001709600000000, 0.0002612900000000 ] - [ 0.0022550500000000, 0.0021241100000000, -0.0000467600000000 ] - [ -0.0003595000000000, 0.0011750100000000, 0.0008451800000000 ] - [ 0.0001257400000000, 0.0001468700000000, 0.0000147900000000 ] - [ 0.0001310800000000, 0.0001409500000000, 0.0000166500000000 ] - [ 0.0001002200000000, -0.0001571200000000, -0.0003201600000000 ] - [ 0.0001274400000000, -0.0001571000000000, -0.0003184000000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001223800000000, -0.0000231000000000, 0.0003118900000000 ] - [ -0.0001195700000000, -0.0000248100000000, 0.0003072300000000 ] - [ -0.0001420300000000, 0.0000420500000000, -0.0000147400000000 ] - [ -0.0001396800000000, 0.0000400300000000, -0.0000480000000000 ] - [ -0.0022867600000000, -0.0001254100000000, -0.0008743100000000 ] - [ 0.0006186900000000, -0.0012947300000000, -0.0010922600000000 ] - [ -0.0007821000000000, -0.0123349600000000, -0.0077373900000000 ] - [ 0.0000083000000000, -0.0004640600000000, 0.0000464400000000 ] - [ 0.0001526200000000, -0.0000033100000000, 0.0004871600000000 ] - [ 0.0001431300000000, -0.0000058300000000, 0.0004763500000000 ] - [ 0.0001305400000000, -0.0000599900000000, -0.0002232700000000 ] - [ 0.0001312100000000, -0.0000647300000000, -0.0002845300000000 ] - [ 0.0031190900000000, -0.0010882100000000, 0.0012354600000000 ] - [ -0.0008984900000000, 0.0005092800000000, 0.0000141100000000 ] - [ 0.0000520700000000, 0.0011236100000000, 0.0003359300000000 ] - [ -0.0002092600000000, 0.0002514800000000, 0.0005630000000000 ] - [ 0.0039040600000000, 0.0158683600000000, -0.0064552100000000 ] - [ -0.0011662900000000, 0.0009283600000000, 0.0001897300000000 ] - [ 0.0019106300000000, -0.0033166900000000, -0.0008376800000000 ] - [ -0.0015355100000000, -0.0008501600000000, 0.0002283400000000 ] - [ 0.0007639600000000, 0.0000876600000000, -0.0000424600000000 ] - [ 0.0007671800000000, 0.0000909900000000, -0.0000404600000000 ] - [ 0.0006671600000000, -0.0000748900000000, -0.0002228200000000 ] - [ 0.0007147400000000, -0.0000776100000000, -0.0001983200000000 ] - [ -0.0000306900000000, 0.0913800100000000, 0.0603147900000000 ] - [ -0.0005904700000000, 0.0000172900000000, -0.0000608200000000 ] - [ -0.0012909200000000, -0.0006402300000000, 0.0011546000000000 ] - [ 0.0005911100000000, -0.0006380800000000, 0.0009374400000000 ] - [ 0.0005476200000000, -0.0003687600000000, 0.0002745800000000 ] - [ 0.0005487400000000, -0.0003652100000000, 0.0002973000000000 ] - [ 0.0005302200000000, 0.0004128400000000, -0.0008133700000000 ] - [ 0.0005192700000000, 0.0004148700000000, -0.0008135900000000 ] - [ -0.0090306100000000, -0.0055714700000000, -0.0413721800000000 ] - [ 0.0004012800000000, 0.0009234800000000, 0.0005474400000000 ] - [ 0.0006759000000000, -0.0029449500000000, -0.0001781800000000 ] - [ 0.0012743800000000, -0.0024009200000000, -0.0005265400000000 ] - [ -0.0001560600000000, 0.0008276300000000, -0.0004717100000000 ] - [ -0.0001517100000000, 0.0008344500000000, -0.0004702700000000 ] - [ -0.0000866000000000, -0.0007477900000000, 0.0002257400000000 ] - [ -0.0001123400000000, -0.0007534200000000, 0.0002382400000000 ] - [ 0.0042941200000000, 0.0046413200000000, 0.0346602700000000 ] - [ -0.0002708600000000, -0.0003697800000000, 0.0004566900000000 ] - [ -0.0036805700000000, -0.0024818200000000, -0.0013789900000000 ] - [ 0.0009368400000000, 0.0006580700000000, -0.0005823400000000 ] - [ 0.0001965800000000, -0.0008644100000000, -0.0004858800000000 ] - [ 0.0002062100000000, -0.0008447500000000, -0.0004592500000000 ] - [ 0.0002719400000000, 0.0007349800000000, 0.0001684000000000 ] - [ 0.0002377800000000, 0.0007400900000000, 0.0001860700000000 ] - [ 0.0002267000000000, 0.0016865400000000, -0.0019069600000000 ] - [ 0.0001303200000000, 0.0002144800000000, -0.0001648200000000 ] - [ -0.0002495800000000, -0.0005163000000000, 0.0005093700000000 ] - [ 0.0003720700000000, -0.0008577200000000, 0.0008547000000000 ] - [ -0.0001966700000000, -0.0002593500000000, -0.0001253600000000 ] - [ -0.0001915200000000, -0.0002028200000000, -0.0000266500000000 ] - [ -0.0001996100000000, 0.0000853900000000, -0.0002878600000000 ] - [ -0.0001568800000000, -0.0000183500000000, -0.0004146300000000 ] - [ 0.0001873100000000, 0.0001084700000000, -0.0004850400000000 ] - [ 0.0001477500000000, -0.0000020900000000, -0.0003629300000000 ] - [ 0.0000879200000000, 0.0002400500000000, -0.0000808600000000 ] - [ 0.0000966200000000, 0.0002268200000000, -0.0000060400000000 ] - [ 0.0004008500000000, -0.0011021700000000, -0.0002683100000000 ] - [ -0.0005089200000000, -0.0013459400000000, -0.0004538700000000 ] - [ -0.0000179900000000, 0.0008920500000000, 0.0010023800000000 ] - [ -0.0000172500000000, 0.0000997200000000, -0.0000117800000000 ] - [ 0.0005781600000000, 0.0000011100000000, -0.0004215000000000 ] - [ 0.0005095600000000, -0.0001481600000000, -0.0004072200000000 ] - [ 0.0006351400000000, 0.0000805400000000, 0.0000295700000000 ] - [ 0.0005663500000000, 0.0001069200000000, 0.0000934700000000 ] - [ -0.0006314300000000, -0.0010626700000000, 0.0002061300000000 ] - [ -0.0004588200000000, -0.0004864700000000, 0.0002427000000000 ] - [ -0.0008325700000000, 0.0006546600000000, -0.0002349600000000 ] - [ -0.0006995900000000, 0.0002423400000000, -0.0001010600000000 ] - [ 0.0001166300000000, 0.0006315400000000, -0.0003452400000000 ] - [ 0.0002749100000000, -0.0002334400000000, -0.0003292400000000 ] - [ 0.0002825600000000, 0.0001614400000000, -0.0007661600000000 ] - [ 0.0003024200000000, 0.0002626800000000, -0.0005324000000000 ] - [ -0.0002043200000000, -0.0005973700000000, -0.0003795700000000 ] - [ -0.0002269400000000, -0.0005972800000000, -0.0003312900000000 ] - [ -0.0002218000000000, 0.0008700200000000, -0.0001115700000000 ] - [ -0.0002719100000000, 0.0003298100000000, 0.0001668100000000 ] - [ 0.0001434900000000, -0.0000664000000000, 0.0004664800000000 ] - [ -0.0001856200000000, -0.0000457800000000, 0.0004166100000000 ] - [ 0.0000097200000000, 0.0001494000000000, -0.0000644700000000 ] - [ 0.0000597400000000, 0.0001367200000000, -0.0000414400000000 ] - [ -0.0000706100000000, 0.0001221400000000, 0.0007510000000000 ] - [ 0.0000355200000000, -0.0000366100000000, 0.0002274400000000 ] - [ 0.0004171800000000, -0.0000884500000000, -0.0013538000000000 ] - [ -0.0000875000000000, -0.0001496100000000, -0.0001037000000000 ] - [ 0.0000771500000000, 0.0000629900000000, 0.0006896300000000 ] - [ 0.0000371400000000, -0.0000776900000000, 0.0006917200000000 ] - [ 0.0003506700000000, -0.0031404100000000, 0.0002018200000000 ] - [ 0.0001859800000000, -0.0002473800000000, -0.0000259200000000 ] - [ -0.0001275900000000, 0.0000845000000000, 0.0008066500000000 ] - [ -0.0000257800000000, 0.0000334600000000, 0.0004947200000000 ] - [ -0.0001804100000000, 0.0016719800000000, 0.0002048300000000 ] - [ 0.0001295300000000, 0.0022071500000000, 0.0000629100000000 ] - [ -0.0001148900000000, 0.0000029900000000, 0.0001090400000000 ] - [ -0.0001906700000000, 0.0000087700000000, 0.0001129200000000 ] - [ -0.0001344800000000, 0.0000035700000000, 0.0006954400000000 ] - [ -0.0001466900000000, -0.0000271500000000, 0.0006650100000000 ] - [ -0.0046698600000000, 0.0024806900000000, 0.0003245100000000 ] - [ 0.0019019800000000, 0.0050647800000000, -0.0008129000000000 ] - [ 0.0032951500000000, -0.0900563300000000, -0.0349025600000000 ] - [ 0.0003193300000000, -0.0004650800000000, -0.0010118800000000 ] - [ -0.0003709100000000, 0.0045916800000000, -0.0009612200000000 ] - [ -0.0001296500000000, 0.0004671200000000, -0.0006018200000000 ] - [ -0.0024685900000000, -0.0024322100000000, 0.0003434400000000 ] - [ 0.0001146800000000, -0.0014749500000000, -0.0005404800000000 ] - [ 0.0001164400000000, 0.0001477800000000, 0.0003210600000000 ] - [ 0.0001102700000000, 0.0001536800000000, 0.0003186400000000 ] - [ 0.0001429100000000, -0.0001362900000000, -0.0000020800000000 ] - [ 0.0001144300000000, -0.0001362900000000, -0.0000039800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001714700000000, 0.0000035700000000, -0.0010954600000000 ] - [ -0.0002584600000000, -0.0000417200000000, -0.0011528100000000 ] - [ -0.0000825500000000, 0.0001859000000000, -0.0016265500000000 ] - [ -0.0000814100000000, 0.0001514300000000, -0.0012914600000000 ] - [ -0.0045916000000000, 0.0015941900000000, 0.0032859000000000 ] - [ 0.0030594500000000, 0.0039143000000000, 0.0022683500000000 ] - [ 0.0009525400000000, 0.0065911400000000, 0.0090066300000000 ] - [ 0.0003048300000000, 0.0003845100000000, 0.0014210000000000 ] - [ 0.0001694500000000, 0.0001846600000000, -0.0008365200000000 ] - [ -0.0000101300000000, 0.0002711300000000, -0.0008271800000000 ] - [ 0.0000865500000000, -0.0001498600000000, -0.0021803700000000 ] - [ 0.0001577800000000, 0.0000165600000000, -0.0014768700000000 ] - [ -0.0051553300000000, -0.0000319400000000, -0.0015555600000000 ] - [ 0.0036216400000000, -0.0024851000000000, -0.0019502700000000 ] - [ -0.0006147700000000, 0.0009333900000000, 0.0002446500000000 ] - [ -0.0000685600000000, 0.0002225000000000, 0.0004271600000000 ] - [ -0.0213225700000000, 0.0039211100000000, 0.0191647700000000 ] - [ 0.0013736100000000, -0.0003343700000000, -0.0032339400000000 ] - [ -0.0041812600000000, 0.0025768300000000, -0.0021405100000000 ] - [ 0.0009455700000000, 0.0006390000000000, -0.0021712500000000 ] - [ 0.0003601000000000, -0.0000030500000000, 0.0013157800000000 ] - [ 0.0003863300000000, 0.0000045500000000, 0.0012304300000000 ] - [ 0.0013478800000000, -0.0001827800000000, 0.0013027000000000 ] - [ 0.0009159600000000, -0.0001571700000000, 0.0010765700000000 ] - [ 0.0350442600000000, -0.0618518200000000, -0.4798829200000000 ] - [ -0.0002522600000000, -0.0008646300000000, -0.0064948600000000 ] - [ -0.0005828200000000, 0.0000192800000000, -0.0062682100000000 ] - [ -0.0007464700000000, -0.0001965800000000, -0.0062743500000000 ] - [ 0.0004260600000000, -0.0006595100000000, 0.0030609900000000 ] - [ 0.0004293400000000, -0.0006381900000000, 0.0028496700000000 ] - [ 0.0006184800000000, 0.0001327700000000, 0.0020257500000000 ] - [ 0.0007190100000000, 0.0001303800000000, 0.0019177200000000 ] - [ 0.0065555300000000, 0.0188233600000000, 0.0245201700000000 ] - [ -0.0013279800000000, 0.0002602400000000, -0.0019648700000000 ] - [ 0.0011228100000000, -0.0007677000000000, -0.0028426400000000 ] - [ -0.0007889500000000, -0.0011646600000000, -0.0023332900000000 ] - [ 0.0001247900000000, 0.0004131800000000, 0.0008421400000000 ] - [ 0.0001420700000000, 0.0004403000000000, 0.0007485700000000 ] - [ -0.0005561100000000, -0.0011734500000000, 0.0016920100000000 ] - [ -0.0002606800000000, -0.0010945100000000, 0.0014741900000000 ] - [ 0.0045351400000000, -0.0118061300000000, 0.0318283000000000 ] - [ -0.0012142400000000, -0.0005317400000000, -0.0020393600000000 ] - [ 0.0055032400000000, 0.0072273000000000, -0.0020922800000000 ] - [ -0.0016861000000000, 0.0027358900000000, -0.0023065000000000 ] - [ 0.0004477800000000, -0.0003226200000000, 0.0010906000000000 ] - [ 0.0004666100000000, -0.0003675700000000, 0.0009673700000000 ] - [ -0.0002047500000000, 0.0012233700000000, 0.0018816200000000 ] - [ 0.0001290600000000, 0.0011649800000000, 0.0016476500000000 ] - [ -0.0002818600000000, -0.0019168500000000, 0.0097989100000000 ] - [ 0.0003469700000000, -0.0000094200000000, -0.0000399200000000 ] - [ -0.0013434200000000, -0.0013313900000000, 0.0009611100000000 ] - [ 0.0014701000000000, -0.0003100000000000, -0.0000018800000000 ] - [ 0.0000844000000000, 0.0003701900000000, 0.0017761100000000 ] - [ -0.0000513500000000, 0.0002781100000000, 0.0013037400000000 ] - [ -0.0001613200000000, 0.0010162300000000, 0.0020682400000000 ] - [ -0.0005931400000000, 0.0008780100000000, 0.0014188500000000 ] - [ 0.0001904700000000, -0.0008537500000000, 0.0017768200000000 ] - [ -0.0003197400000000, -0.0007882000000000, 0.0011738000000000 ] - [ 0.0003384300000000, 0.0000199500000000, 0.0015248100000000 ] - [ 0.0001933000000000, -0.0000432500000000, 0.0011039400000000 ] - [ -0.0010928200000000, 0.0009875700000000, 0.0010033000000000 ] - [ 0.0011176900000000, 0.0003790200000000, 0.0002826000000000 ] - [ -0.0001740800000000, -0.0014080700000000, 0.0024842200000000 ] - [ 0.0000154300000000, 0.0000462800000000, 0.0002732900000000 ] - [ -0.0002963900000000, -0.0000190500000000, 0.0012022300000000 ] - [ 0.0016748100000000, -0.0000949500000000, 0.0009856300000000 ] - [ 0.0004640200000000, 0.0002387100000000, 0.0012747100000000 ] - [ 0.0008068200000000, 0.0001813800000000, 0.0009561200000000 ] - [ 0.0010502800000000, -0.0003672000000000, 0.0010768800000000 ] - [ -0.0020951200000000, -0.0001630500000000, 0.0006596300000000 ] - [ 0.0010180300000000, -0.0007131600000000, 0.0016987400000000 ] - [ -0.0016320500000000, 0.0001178100000000, 0.0004693800000000 ] - [ 0.0022387700000000, -0.0002500700000000, 0.0043591100000000 ] - [ -0.0003567200000000, -0.0004024500000000, 0.0024440700000000 ] - [ 0.0000219100000000, 0.0003642700000000, 0.0017026500000000 ] - [ -0.0001513000000000, 0.0002814900000000, 0.0009013800000000 ] - [ -0.0003312200000000, -0.0002191700000000, 0.0015132500000000 ] - [ 0.0004464000000000, -0.0001631100000000, 0.0012071200000000 ] - [ -0.0008945700000000, -0.0005514300000000, 0.0047471300000000 ] - [ -0.0005272600000000, 0.0003983300000000, 0.0014898100000000 ] - [ -0.0008255400000000, -0.0005048300000000, -0.0008768100000000 ] - [ 0.0010344100000000, -0.0006280900000000, -0.0008301900000000 ] - [ 0.0006742600000000, 0.0005042700000000, -0.0012664400000000 ] - [ -0.0004952100000000, 0.0004624600000000, -0.0011544500000000 ] - [ 0.0001844200000000, -0.0004269900000000, -0.0015654100000000 ] - [ -0.0000298000000000, -0.0001209800000000, -0.0005732200000000 ] - [ 0.0004390800000000, 0.0008593800000000, -0.0038142300000000 ] - [ -0.0000212900000000, -0.0001002500000000, -0.0000821400000000 ] - [ -0.0018050100000000, -0.0001221200000000, -0.0058170000000000 ] - [ 0.0011447100000000, -0.0001121800000000, -0.0037055600000000 ] - [ -0.0022309900000000, 0.0054552900000000, -0.0093569900000000 ] - [ 0.0013139100000000, -0.0001991500000000, -0.0014060900000000 ] - [ 0.0000617400000000, -0.0003082800000000, -0.0034024500000000 ] - [ -0.0002135100000000, -0.0001555400000000, -0.0021479000000000 ] - [ 0.0020215100000000, 0.0000960100000000, -0.0027097300000000 ] - [ -0.0027588300000000, -0.0002198700000000, -0.0014593200000000 ] - [ -0.0005331300000000, 0.0001622400000000, -0.0040222800000000 ] - [ 0.0002609900000000, 0.0001367900000000, -0.0042323600000000 ] - [ -0.0001725700000000, 0.0001063800000000, -0.0035230600000000 ] - [ -0.0001884600000000, 0.0001091400000000, -0.0032130700000000 ] - [ 0.0049152200000000, -0.0020184400000000, 0.0101113900000000 ] - [ -0.0040611400000000, -0.0046751600000000, 0.0119675500000000 ] - [ -0.0245054500000000, 0.0358875600000000, 0.3805949900000000 ] - [ 0.0001840700000000, 0.0010210500000000, 0.0087333500000000 ] - [ 0.0005718600000000, -0.0007100700000000, 0.0038789000000000 ] - [ -0.0002101600000000, -0.0001263200000000, 0.0021813200000000 ] - [ 0.0006155400000000, 0.0002169600000000, 0.0034434800000000 ] - [ -0.0028373500000000, 0.0005195500000000, 0.0030288000000000 ] - [ 0.0002172000000000, 0.0000440400000000, -0.0013579200000000 ] - [ 0.0001542300000000, 0.0000490400000000, -0.0012318900000000 ] - [ -0.0000392100000000, -0.0002462500000000, -0.0015193700000000 ] - [ 0.0001715900000000, -0.0002491600000000, -0.0015203200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000893900000000, -0.0000663900000000, 0.0014291700000000 ] - [ -0.0000027600000000, -0.0000211400000000, 0.0014856800000000 ] - [ -0.0001768200000000, -0.0001219500000000, 0.0012807100000000 ] - [ -0.0001778800000000, -0.0000876700000000, 0.0009462800000000 ] - [ 0.0048283400000000, -0.0016627900000000, -0.0035786700000000 ] - [ -0.0027949100000000, -0.0039607600000000, -0.0025840400000000 ] - [ -0.0007554500000000, -0.0072498200000000, -0.0092453900000000 ] - [ -0.0000437000000000, -0.0003181200000000, -0.0010792400000000 ] - [ 0.0001073800000000, -0.0001403300000000, 0.0015823700000000 ] - [ 0.0002859200000000, -0.0002264300000000, 0.0015730300000000 ] - [ 0.0001942700000000, 0.0001057200000000, 0.0014212700000000 ] - [ 0.0001235200000000, -0.0000604400000000, 0.0007197600000000 ] - [ 0.0048561300000000, 0.0000795100000000, 0.0008049100000000 ] - [ -0.0038883500000000, 0.0025165300000000, 0.0011936200000000 ] - [ 0.0003315000000000, -0.0009743900000000, 0.0005011400000000 ] - [ -0.0002111500000000, -0.0002642100000000, 0.0003217400000000 ] - [ 0.0194016600000000, -0.0036427800000000, -0.0190134600000000 ] - [ -0.0028462600000000, 0.0005041200000000, 0.0030409200000000 ] - [ 0.0026979500000000, -0.0027355200000000, 0.0023185100000000 ] - [ -0.0024014800000000, -0.0008106600000000, 0.0023405200000000 ] - [ 0.0011002600000000, 0.0001755100000000, -0.0011376700000000 ] - [ 0.0010738600000000, 0.0001676900000000, -0.0010536600000000 ] - [ 0.0001127700000000, 0.0000097300000000, -0.0014709900000000 ] - [ 0.0005483900000000, -0.0000157500000000, -0.0012435300000000 ] - [ -0.0333059400000000, 0.0583799500000000, 0.4517936900000000 ] - [ -0.0008207400000000, 0.0000878000000000, 0.0053734800000000 ] - [ -0.0004783100000000, 0.0007626200000000, 0.0073509900000000 ] - [ -0.0003301400000000, 0.0009776700000000, 0.0073465200000000 ] - [ 0.0006449700000000, -0.0001150300000000, -0.0019535400000000 ] - [ 0.0006414700000000, -0.0001366300000000, -0.0017411800000000 ] - [ 0.0004524300000000, 0.0006402500000000, -0.0031156500000000 ] - [ 0.0003529500000000, 0.0006420000000000, -0.0030055800000000 ] - [ -0.0061461400000000, -0.0167523600000000, -0.0233604100000000 ] - [ 0.0015628200000000, 0.0013139500000000, 0.0026531100000000 ] - [ -0.0008700300000000, -0.0008148700000000, 0.0021395900000000 ] - [ 0.0010279900000000, -0.0004128300000000, 0.0016284000000000 ] - [ -0.0003715700000000, 0.0011656700000000, -0.0015375800000000 ] - [ -0.0003876400000000, 0.0011368500000000, -0.0014444000000000 ] - [ 0.0003075200000000, -0.0004058600000000, -0.0009870000000000 ] - [ 0.0000140100000000, -0.0004840700000000, -0.0007708100000000 ] - [ -0.0048090500000000, 0.0098148800000000, -0.0303274100000000 ] - [ 0.0007516300000000, -0.0010466100000000, 0.0026646100000000 ] - [ -0.0059410000000000, -0.0056331300000000, 0.0014628400000000 ] - [ 0.0012254100000000, -0.0011520700000000, 0.0016675500000000 ] - [ 0.0000058800000000, -0.0012603200000000, -0.0017255000000000 ] - [ -0.0000107100000000, -0.0012123800000000, -0.0016012700000000 ] - [ 0.0006576900000000, 0.0003589500000000, -0.0012371500000000 ] - [ 0.0003244700000000, 0.0004188400000000, -0.0010031300000000 ] - [ 0.0006318700000000, 0.0016926900000000, -0.0101751300000000 ] - [ -0.0000190000000000, -0.0001769700000000, -0.0002935800000000 ] - [ 0.0016639100000000, 0.0015164800000000, -0.0006283800000000 ] - [ -0.0011314500000000, 0.0004936800000000, 0.0003344900000000 ] - [ -0.0004108000000000, -0.0005521800000000, -0.0014331100000000 ] - [ -0.0002760300000000, -0.0004623700000000, -0.0009633100000000 ] - [ -0.0001652600000000, -0.0008264000000000, -0.0023943200000000 ] - [ 0.0002639300000000, -0.0006892400000000, -0.0017489300000000 ] - [ 0.0000285200000000, 0.0005608400000000, -0.0020858300000000 ] - [ 0.0005363000000000, 0.0004961900000000, -0.0014872200000000 ] - [ -0.0001190600000000, 0.0002662300000000, -0.0012000000000000 ] - [ 0.0000264900000000, 0.0003289700000000, -0.0007798200000000 ] - [ 0.0008710100000000, -0.0012779100000000, -0.0006852000000000 ] - [ -0.0013272000000000, -0.0006686300000000, 0.0000337700000000 ] - [ -0.0000375400000000, 0.0016994500000000, -0.0028037200000000 ] - [ -0.0002333900000000, 0.0002423900000000, -0.0005893600000000 ] - [ 0.0014706700000000, -0.0002379600000000, -0.0016887300000000 ] - [ -0.0004921400000000, -0.0001624300000000, -0.0014721100000000 ] - [ 0.0007135000000000, 0.0000198300000000, -0.0007779700000000 ] - [ 0.0003719600000000, 0.0000772900000000, -0.0004606200000000 ] - [ -0.0022171500000000, 0.0001049600000000, -0.0005805400000000 ] - [ 0.0009062900000000, -0.0000966200000000, -0.0001673600000000 ] - [ -0.0021910500000000, 0.0009682300000000, -0.0021885300000000 ] - [ 0.0004491200000000, 0.0001398200000000, -0.0009565200000000 ] - [ -0.0018222500000000, -0.0003325200000000, -0.0039654800000000 ] - [ 0.0007618600000000, -0.0001836700000000, -0.0020571800000000 ] - [ 0.0003852000000000, 0.0002219800000000, -0.0020791200000000 ] - [ 0.0005563700000000, 0.0003051000000000, -0.0012759800000000 ] - [ -0.0000781500000000, -0.0003676100000000, -0.0018876800000000 ] - [ -0.0008494100000000, -0.0004226400000000, -0.0015803100000000 ] - [ 0.0004902400000000, 0.0011314100000000, -0.0043584200000000 ] - [ 0.0001172700000000, 0.0001884200000000, -0.0011021900000000 ] - [ 0.0007920500000000, 0.0006496400000000, 0.0010630400000000 ] - [ -0.0010643900000000, 0.0007710200000000, 0.0010154300000000 ] - [ -0.0006400300000000, -0.0003572400000000, 0.0010710500000000 ] - [ 0.0005276300000000, -0.0003164600000000, 0.0009594000000000 ] - [ -0.0001500900000000, 0.0002813900000000, 0.0017503400000000 ] - [ 0.0000614100000000, -0.0000238000000000, 0.0007633400000000 ] - [ -0.0004645700000000, -0.0010043700000000, 0.0036011400000000 ] - [ -0.0000117200000000, -0.0000452900000000, -0.0001095400000000 ] - [ 0.0017202900000000, 0.0001114000000000, 0.0058070300000000 ] - [ -0.0012136900000000, 0.0001013800000000, 0.0037083900000000 ] - [ 0.0022789000000000, -0.0054078300000000, 0.0093475600000000 ] - [ -0.0012313300000000, 0.0002087700000000, 0.0014119000000000 ] - [ -0.0001387200000000, 0.0003167800000000, 0.0033732000000000 ] - [ 0.0001376400000000, 0.0001661500000000, 0.0021195600000000 ] - [ -0.0019361500000000, -0.0001031100000000, 0.0026870600000000 ] - [ 0.0028121700000000, 0.0002117600000000, 0.0014368500000000 ] - [ 0.0002468500000000, -0.0001240500000000, 0.0034536600000000 ] - [ -0.0005471900000000, -0.0000977300000000, 0.0036632700000000 ] - [ -0.0001130700000000, -0.0001434800000000, 0.0040615400000000 ] - [ -0.0000984500000000, -0.0001470100000000, 0.0037511100000000 ] - [ -0.0045978100000000, 0.0020460600000000, -0.0095372300000000 ] - [ 0.0043176500000000, 0.0046847500000000, -0.0113962500000000 ] - [ 0.0221491500000000, -0.0327438500000000, -0.3551455700000000 ] - [ 0.0001269200000000, -0.0010551500000000, -0.0092527100000000 ] - [ -0.0008065400000000, 0.0009969600000000, -0.0041729700000000 ] - [ -0.0000326900000000, 0.0004177600000000, -0.0024953200000000 ] - [ -0.0007649000000000, -0.0004731600000000, -0.0031412800000000 ] - [ 0.0025308300000000, -0.0007917600000000, -0.0027230500000000 ] - [ 0.0000251500000000, 0.0002488600000000, 0.0016779200000000 ] - [ 0.0000874900000000, 0.0002439000000000, 0.0015524400000000 ] - [ 0.0002807200000000, -0.0000474700000000, 0.0011865400000000 ] - [ 0.0000700600000000, -0.0000446000000000, 0.0011873500000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001006600000000, 0.0000307100000000, 0.0002755400000000 ] - [ -0.0001944500000000, -0.0001185600000000, -0.0002286300000000 ] - [ -0.0000929700000000, 0.0000421400000000, -0.0003233100000000 ] - [ -0.0001540400000000, 0.0000408800000000, -0.0002943500000000 ] - [ 0.0007741700000000, 0.0019133200000000, 0.0002061000000000 ] - [ -0.0024481800000000, -0.0046786700000000, 0.0011648000000000 ] - [ 0.0003888800000000, -0.0012045200000000, -0.0013759600000000 ] - [ -0.0003612900000000, 0.0002540800000000, 0.0003117300000000 ] - [ 0.0001436100000000, 0.0000124200000000, 0.0006225600000000 ] - [ 0.0000805300000000, 0.0001252600000000, -0.0000747700000000 ] - [ 0.0001724000000000, -0.0000232600000000, -0.0005581500000000 ] - [ 0.0001074700000000, -0.0000130700000000, -0.0004970600000000 ] - [ 0.0100873100000000, -0.0013080100000000, 0.0049298500000000 ] - [ -0.0038217800000000, 0.0024465500000000, 0.0026646400000000 ] - [ 0.0003010800000000, 0.0000078800000000, 0.0002961300000000 ] - [ -0.0005755300000000, -0.0000989700000000, 0.0003892200000000 ] - [ 0.0316890500000000, 0.0380149800000000, 0.0060823000000000 ] - [ 0.0101830300000000, -0.0028123800000000, -0.0018720500000000 ] - [ -0.0019125300000000, 0.0005847400000000, -0.0002875100000000 ] - [ 0.0004738600000000, 0.0000172800000000, 0.0004083000000000 ] - [ 0.0003806200000000, 0.0000577300000000, 0.0003671000000000 ] - [ 0.0009959000000000, 0.0000926100000000, 0.0000608200000000 ] - [ 0.0007350900000000, -0.0000896300000000, 0.0000293100000000 ] - [ 0.0008063400000000, -0.0000964900000000, 0.0000783400000000 ] - [ -0.0129821400000000, 0.0089541100000000, 0.0058490100000000 ] - [ 0.0019334000000000, -0.0006575200000000, -0.0020110600000000 ] - [ 0.0000235800000000, 0.0015267500000000, 0.0014568200000000 ] - [ -0.0009054100000000, 0.0009452300000000, -0.0004455800000000 ] - [ 0.0004329900000000, -0.0004159800000000, 0.0008035800000000 ] - [ 0.0006177900000000, -0.0004127700000000, 0.0008210800000000 ] - [ 0.0005587300000000, 0.0003489200000000, -0.0001226100000000 ] - [ 0.0005450000000000, 0.0003745800000000, -0.0004149500000000 ] - [ -0.1715374400000000, -0.1443098700000000, -0.0662293100000000 ] - [ 0.0042929900000000, 0.0017990300000000, 0.0005521000000000 ] - [ 0.0000910700000000, -0.0007949900000000, 0.0001604900000000 ] - [ 0.0000847500000000, -0.0000930200000000, -0.0009069700000000 ] - [ -0.0003113500000000, 0.0008180000000000, -0.0003401200000000 ] - [ 0.0001077300000000, 0.0006959500000000, -0.0001314100000000 ] - [ -0.0001874400000000, -0.0008585300000000, 0.0005363600000000 ] - [ -0.0001271200000000, -0.0008128200000000, 0.0004399600000000 ] - [ -0.0166046000000000, -0.0068923500000000, 0.0011234100000000 ] - [ 0.0046615500000000, -0.0023271100000000, 0.0007475900000000 ] - [ 0.0002410800000000, 0.0013115900000000, 0.0001964900000000 ] - [ -0.0003691100000000, 0.0010932000000000, -0.0008056300000000 ] - [ 0.0000155200000000, -0.0007773800000000, -0.0002706400000000 ] - [ 0.0004831400000000, -0.0006907700000000, -0.0000799100000000 ] - [ 0.0001696000000000, 0.0008605400000000, 0.0005295000000000 ] - [ 0.0002295100000000, 0.0008159300000000, 0.0004250300000000 ] - [ -0.0001329300000000, -0.0004095500000000, 0.0004731300000000 ] - [ 0.0005022200000000, -0.0001725900000000, 0.0000159300000000 ] - [ 0.0002634700000000, 0.0009219800000000, -0.0008908700000000 ] - [ 0.0003011400000000, 0.0010640100000000, 0.0000192700000000 ] - [ -0.0001681400000000, -0.0000108200000000, 0.0003940200000000 ] - [ -0.0001080800000000, -0.0000318700000000, 0.0002906700000000 ] - [ -0.0001790800000000, 0.0005891000000000, 0.0009706700000000 ] - [ -0.0000664200000000, -0.0002196900000000, -0.0007471500000000 ] - [ 0.0000364800000000, -0.0009075600000000, 0.0011900600000000 ] - [ 0.0001942200000000, 0.0001322300000000, -0.0006703700000000 ] - [ 0.0000948100000000, 0.0001087900000000, 0.0003493200000000 ] - [ 0.0001589100000000, 0.0001106200000000, 0.0002532500000000 ] - [ 0.0003690600000000, -0.0016166300000000, -0.0012753900000000 ] - [ 0.0009776800000000, 0.0030119700000000, 0.0024258900000000 ] - [ -0.0004736700000000, -0.0001122200000000, -0.0001925800000000 ] - [ 0.0002395400000000, 0.0002070600000000, 0.0000677500000000 ] - [ 0.0001819900000000, -0.0001476200000000, -0.0007954000000000 ] - [ 0.0016033700000000, -0.0001348000000000, 0.0004840500000000 ] - [ 0.0004562600000000, 0.0001417800000000, 0.0003637900000000 ] - [ 0.0007243300000000, 0.0001356900000000, 0.0003511400000000 ] - [ -0.0013452600000000, 0.0008862600000000, 0.0007897100000000 ] - [ 0.0007331100000000, -0.0002419100000000, -0.0001727500000000 ] - [ -0.0008716200000000, 0.0000102700000000, 0.0000634600000000 ] - [ -0.0001968600000000, 0.0001188500000000, -0.0003368200000000 ] - [ 0.0008289300000000, -0.0015854600000000, 0.0040771000000000 ] - [ 0.0006579100000000, -0.0001871100000000, -0.0016027500000000 ] - [ 0.0000445200000000, 0.0003040600000000, 0.0001685100000000 ] - [ 0.0002839900000000, 0.0002958200000000, -0.0001300000000000 ] - [ -0.0003502000000000, -0.0004547200000000, -0.0014162800000000 ] - [ -0.0000027600000000, 0.0003844800000000, 0.0011058400000000 ] - [ -0.0003816600000000, 0.0001622400000000, 0.0005925900000000 ] - [ -0.0001084000000000, 0.0003079600000000, 0.0003783600000000 ] - [ -0.0001029200000000, 0.0000500900000000, -0.0002215100000000 ] - [ 0.0000886300000000, 0.0000279800000000, 0.0001326900000000 ] - [ 0.0000814400000000, 0.0000971900000000, -0.0001450700000000 ] - [ -0.0000381900000000, 0.0000980400000000, -0.0002834100000000 ] - [ 0.0011297100000000, -0.0001523300000000, -0.0001268600000000 ] - [ -0.0008434300000000, -0.0000791400000000, -0.0001133800000000 ] - [ 0.0012503800000000, -0.0002318200000000, 0.0005419600000000 ] - [ -0.0009472000000000, -0.0000311100000000, -0.0000550900000000 ] - [ -0.0014594000000000, -0.0000599500000000, -0.0038349200000000 ] - [ 0.0004375300000000, -0.0000490700000000, 0.0021771400000000 ] - [ 0.0005285200000000, 0.0007591200000000, -0.0006243600000000 ] - [ -0.0006198900000000, -0.0000233700000000, -0.0004067800000000 ] - [ 0.0001659400000000, -0.0000304500000000, -0.0005394500000000 ] - [ -0.0002273600000000, -0.0000105700000000, -0.0002136400000000 ] - [ -0.0015247200000000, 0.0005334700000000, 0.0022045800000000 ] - [ 0.0009064700000000, -0.0039926300000000, -0.0023975800000000 ] - [ -0.0001458700000000, 0.0000216800000000, -0.0005399000000000 ] - [ -0.0001415400000000, 0.0000470400000000, -0.0008751300000000 ] - [ 0.0003972700000000, -0.0000138300000000, -0.0000825000000000 ] - [ -0.0006834300000000, -0.0000163800000000, -0.0001451400000000 ] - [ 0.0016318500000000, -0.0012276800000000, 0.0020249500000000 ] - [ -0.0014640000000000, -0.0007697100000000, -0.0012043400000000 ] - [ 0.1499772400000000, 0.1115789000000000, 0.0412683700000000 ] - [ -0.0118069600000000, -0.0000026900000000, 0.0014187900000000 ] - [ 0.0025635700000000, -0.0036974000000000, 0.0004106800000000 ] - [ -0.0014713100000000, -0.0002216700000000, 0.0001959600000000 ] - [ -0.0001989700000000, 0.0007363900000000, 0.0029932300000000 ] - [ -0.0013748400000000, 0.0003399200000000, -0.0017838200000000 ] - [ 0.0003962200000000, 0.0001405300000000, -0.0000132000000000 ] - [ -0.0001229600000000, 0.0001362200000000, 0.0000179800000000 ] - [ 0.0001024200000000, -0.0001612200000000, -0.0002991600000000 ] - [ 0.0001272300000000, -0.0001539100000000, -0.0003334000000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001610400000000, -0.0000946400000000, 0.0000587600000000 ] - [ -0.0000659800000000, 0.0000557100000000, 0.0005637000000000 ] - [ -0.0001666700000000, 0.0000224900000000, -0.0000132000000000 ] - [ -0.0001059100000000, 0.0000234700000000, -0.0000426200000000 ] - [ -0.0004685700000000, -0.0019601400000000, -0.0005432400000000 ] - [ 0.0026896400000000, 0.0046333100000000, -0.0015007900000000 ] - [ -0.0001243300000000, 0.0012426500000000, 0.0016808300000000 ] - [ 0.0006216300000000, -0.0001840500000000, 0.0000314900000000 ] - [ 0.0001311900000000, 0.0000309500000000, 0.0001237400000000 ] - [ 0.0001956900000000, -0.0000826400000000, 0.0008207500000000 ] - [ 0.0001075300000000, -0.0000199800000000, -0.0001914100000000 ] - [ 0.0001723500000000, -0.0000307400000000, -0.0002493900000000 ] - [ -0.0096478400000000, 0.0013025200000000, -0.0050854900000000 ] - [ 0.0035436000000000, -0.0024246100000000, -0.0034279600000000 ] - [ -0.0005806900000000, -0.0000479700000000, 0.0004482600000000 ] - [ 0.0002964300000000, 0.0000567500000000, 0.0003586200000000 ] - [ -0.0341841000000000, -0.0387597100000000, -0.0063569800000000 ] - [ -0.0115374100000000, 0.0029384400000000, 0.0016942000000000 ] - [ 0.0004429100000000, -0.0007448200000000, 0.0004625800000000 ] - [ -0.0019180200000000, -0.0001846700000000, -0.0002382400000000 ] - [ 0.0010735000000000, 0.0001114300000000, -0.0001919300000000 ] - [ 0.0004590000000000, 0.0000762100000000, 0.0001132100000000 ] - [ 0.0007163300000000, -0.0000794000000000, -0.0002019900000000 ] - [ 0.0006506700000000, -0.0000725000000000, -0.0002495200000000 ] - [ 0.0121363800000000, -0.0095953800000000, -0.0068427100000000 ] - [ -0.0029965000000000, -0.0001216500000000, 0.0008881900000000 ] - [ -0.0010873700000000, -0.0007541100000000, -0.0003671500000000 ] - [ -0.0001812200000000, -0.0001585900000000, 0.0015405700000000 ] - [ 0.0006409700000000, -0.0003603200000000, 0.0002992400000000 ] - [ 0.0004558400000000, -0.0003640800000000, 0.0002838000000000 ] - [ 0.0005135400000000, 0.0004281700000000, -0.0009785000000000 ] - [ 0.0005293300000000, 0.0004015200000000, -0.0006823700000000 ] - [ 0.1726319400000000, 0.1508747600000000, 0.0677771900000000 ] - [ -0.0040291700000000, -0.0001963500000000, 0.0001497800000000 ] - [ 0.0001694800000000, -0.0007992000000000, -0.0008686900000000 ] - [ 0.0001628200000000, -0.0014870400000000, 0.0002016700000000 ] - [ 0.0000578600000000, 0.0007754700000000, -0.0003634700000000 ] - [ -0.0003602000000000, 0.0008951600000000, -0.0005718900000000 ] - [ -0.0000663000000000, -0.0007326200000000, 0.0001695700000000 ] - [ -0.0001237700000000, -0.0007771300000000, 0.0002644300000000 ] - [ 0.0162528700000000, 0.0055890200000000, -0.0004561800000000 ] - [ -0.0051008000000000, 0.0007282200000000, -0.0001091900000000 ] - [ -0.0006803600000000, 0.0002826700000000, -0.0008331200000000 ] - [ -0.0000972600000000, 0.0004803300000000, 0.0001731500000000 ] - [ 0.0004402900000000, -0.0008065600000000, -0.0003665900000000 ] - [ -0.0000249400000000, -0.0008884300000000, -0.0005545000000000 ] - [ 0.0002872900000000, 0.0007179300000000, 0.0001072400000000 ] - [ 0.0002280800000000, 0.0007649600000000, 0.0002125500000000 ] - [ 0.0004522000000000, 0.0002317500000000, -0.0008034700000000 ] - [ -0.0001800400000000, 0.0000047600000000, -0.0003639400000000 ] - [ 0.0000735900000000, -0.0007438100000000, 0.0012280300000000 ] - [ 0.0000120700000000, -0.0008848100000000, 0.0003231500000000 ] - [ -0.0001514700000000, -0.0001546700000000, -0.0000445100000000 ] - [ -0.0002123300000000, -0.0001364700000000, 0.0000548900000000 ] - [ -0.0001412100000000, -0.0004209000000000, -0.0013165200000000 ] - [ -0.0002512100000000, 0.0003889200000000, 0.0004052500000000 ] - [ 0.0001790100000000, 0.0006153000000000, -0.0015031100000000 ] - [ 0.0000253500000000, -0.0004223700000000, 0.0003581300000000 ] - [ 0.0001236100000000, 0.0001768000000000, -0.0000296100000000 ] - [ 0.0000606000000000, 0.0001740000000000, 0.0000652500000000 ] - [ -0.0005819200000000, 0.0013276700000000, 0.0015917200000000 ] - [ -0.0011919100000000, -0.0032792200000000, -0.0020940200000000 ] - [ 0.0002565500000000, 0.0004026500000000, -0.0001180500000000 ] - [ -0.0004558500000000, 0.0000801000000000, -0.0003856400000000 ] - [ 0.0010035800000000, -0.0001084400000000, 0.0003055600000000 ] - [ -0.0004333600000000, -0.0001211800000000, -0.0009728000000000 ] - [ 0.0007201300000000, 0.0001146300000000, 0.0001287300000000 ] - [ 0.0004535200000000, 0.0001213700000000, 0.0001398800000000 ] - [ 0.0001554900000000, -0.0011302700000000, -0.0002985600000000 ] - [ -0.0019049700000000, -0.0000140600000000, 0.0006634400000000 ] - [ -0.0003042100000000, 0.0002434300000000, -0.0005514700000000 ] - [ -0.0009792000000000, 0.0001371800000000, -0.0001553400000000 ] - [ -0.0004299100000000, 0.0009979000000000, -0.0036914700000000 ] - [ -0.0002419000000000, -0.0003953600000000, 0.0020062200000000 ] - [ 0.0003688400000000, 0.0002790100000000, -0.0005617700000000 ] - [ 0.0001280300000000, 0.0002880500000000, -0.0002628200000000 ] - [ -0.0000600100000000, -0.0001283400000000, 0.0010258400000000 ] - [ -0.0004105600000000, -0.0009626700000000, -0.0014901700000000 ] - [ -0.0000293800000000, 0.0004181600000000, -0.0001985400000000 ] - [ -0.0003018000000000, 0.0002751700000000, 0.0000123300000000 ] - [ 0.0000678200000000, 0.0000947100000000, 0.0004124600000000 ] - [ -0.0001196900000000, 0.0001172700000000, 0.0000589200000000 ] - [ -0.0000463400000000, 0.0000481500000000, -0.0000488000000000 ] - [ 0.0000707800000000, 0.0000471700000000, 0.0000895500000000 ] - [ -0.0010942900000000, 0.0000090100000000, 0.0003213300000000 ] - [ 0.0008754800000000, -0.0000664600000000, 0.0003041600000000 ] - [ -0.0012869000000000, 0.0000833400000000, -0.0007127800000000 ] - [ 0.0009147100000000, -0.0001111600000000, -0.0001442300000000 ] - [ 0.0013987000000000, 0.0000523700000000, 0.0038533900000000 ] - [ -0.0005171000000000, 0.0000390500000000, -0.0021738600000000 ] - [ -0.0004641900000000, -0.0007377400000000, 0.0006262200000000 ] - [ 0.0006868100000000, 0.0000329000000000, 0.0004263200000000 ] - [ -0.0002324200000000, 0.0000404300000000, 0.0005180100000000 ] - [ 0.0001591700000000, 0.0000212900000000, 0.0001962200000000 ] - [ 0.0015816500000000, -0.0005469900000000, -0.0022143200000000 ] - [ -0.0008229400000000, 0.0039502100000000, 0.0023657600000000 ] - [ -0.0001471900000000, 0.0000198800000000, -0.0000232600000000 ] - [ -0.0001503000000000, -0.0000050900000000, 0.0003118500000000 ] - [ -0.0006885100000000, -0.0000275600000000, 0.0006401700000000 ] - [ 0.0003900100000000, -0.0000255100000000, 0.0007014100000000 ] - [ -0.0013101000000000, 0.0012565900000000, -0.0014633500000000 ] - [ 0.0017367800000000, 0.0008021400000000, 0.0017847000000000 ] - [ -0.1507469800000000, -0.1159906600000000, -0.0433182500000000 ] - [ 0.0120799200000000, -0.0000449500000000, -0.0019511900000000 ] - [ -0.0027710100000000, 0.0039696300000000, -0.0007333800000000 ] - [ 0.0012265200000000, 0.0005117500000000, -0.0005219900000000 ] - [ -0.0000236100000000, -0.0010235700000000, -0.0026505600000000 ] - [ 0.0011154800000000, -0.0006335000000000, 0.0021201300000000 ] - [ -0.0001535900000000, 0.0001537900000000, 0.0003407100000000 ] - [ 0.0003656200000000, 0.0001580700000000, 0.0003089000000000 ] - [ 0.0001399500000000, -0.0001331500000000, -0.0000307500000000 ] - [ 0.0001156800000000, -0.0001404800000000, 0.0000035100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001069900000000, 0.0000356600000000, 0.0000449700000000 ] - [ -0.0001507800000000, 0.0000034000000000, -0.0000976600000000 ] - [ -0.0001154400000000, 0.0000622400000000, -0.0003762600000000 ] - [ -0.0001339400000000, 0.0000570900000000, -0.0003319200000000 ] - [ 0.0054865100000000, -0.0012736200000000, 0.0001476100000000 ] - [ -0.0022818200000000, -0.0027229900000000, 0.0008173300000000 ] - [ 0.0005329400000000, -0.0028409500000000, -0.0027185100000000 ] - [ -0.0000928000000000, 0.0000002400000000, 0.0001817800000000 ] - [ 0.0001598600000000, -0.0000674700000000, 0.0002540400000000 ] - [ 0.0001441200000000, -0.0000610200000000, 0.0000381300000000 ] - [ 0.0001456300000000, -0.0000409600000000, -0.0006271500000000 ] - [ 0.0001282600000000, -0.0000207500000000, -0.0005368700000000 ] - [ -0.0042312900000000, 0.0048481400000000, -0.0032623200000000 ] - [ -0.0001637300000000, 0.0024410600000000, 0.0011301300000000 ] - [ 0.0000559500000000, -0.0001374600000000, 0.0008279200000000 ] - [ -0.0003688200000000, -0.0000184700000000, 0.0004415200000000 ] - [ 0.0118743700000000, -0.0014291500000000, 0.0024286800000000 ] - [ 0.0001904500000000, -0.0016942600000000, -0.0005105000000000 ] - [ -0.0010709900000000, 0.0014768500000000, -0.0003346000000000 ] - [ -0.0002152400000000, 0.0003498300000000, -0.0000269100000000 ] - [ 0.0005790500000000, 0.0000809900000000, 0.0003343200000000 ] - [ 0.0007466400000000, 0.0000797400000000, 0.0002310500000000 ] - [ 0.0007914800000000, -0.0000995400000000, 0.0000941000000000 ] - [ 0.0007681500000000, -0.0000980500000000, 0.0000801900000000 ] - [ 0.0094811100000000, 0.0061013400000000, 0.0171184300000000 ] - [ 0.0001758600000000, -0.0005117200000000, -0.0010738000000000 ] - [ -0.0005900000000000, 0.0019938600000000, 0.0001742200000000 ] - [ -0.0009576200000000, 0.0025357900000000, 0.0005653900000000 ] - [ 0.0004906300000000, -0.0004162100000000, 0.0009319600000000 ] - [ 0.0005418600000000, -0.0004248500000000, 0.0009047300000000 ] - [ 0.0005494300000000, 0.0003407500000000, -0.0001744400000000 ] - [ 0.0005561800000000, 0.0003461900000000, -0.0002506600000000 ] - [ -0.1423042900000000, -0.3426117000000000, -0.0903946200000000 ] - [ 0.0011165400000000, 0.0003053900000000, 0.0001068700000000 ] - [ -0.0005744300000000, 0.0002597300000000, -0.0006854400000000 ] - [ 0.0001262100000000, 0.0002560200000000, -0.0006016500000000 ] - [ -0.0001461800000000, 0.0008081000000000, -0.0002027400000000 ] - [ -0.0000253600000000, 0.0007506100000000, -0.0001413200000000 ] - [ -0.0001875800000000, -0.0008485900000000, 0.0005421400000000 ] - [ -0.0001415200000000, -0.0008298400000000, 0.0004992300000000 ] - [ 0.0112230800000000, 0.0450589700000000, 0.0023396400000000 ] - [ 0.0012414900000000, -0.0010175200000000, 0.0002386000000000 ] - [ 0.0010381900000000, 0.0026888700000000, -0.0002942800000000 ] - [ -0.0002031700000000, 0.0015747600000000, -0.0006234600000000 ] - [ 0.0002016700000000, -0.0007216400000000, -0.0000772400000000 ] - [ 0.0003327000000000, -0.0007330300000000, -0.0000742900000000 ] - [ 0.0001696800000000, 0.0008439000000000, 0.0005384500000000 ] - [ 0.0002191200000000, 0.0008303500000000, 0.0004929900000000 ] - [ -0.0000847100000000, -0.0007073800000000, 0.0012174100000000 ] - [ 0.0003729300000000, -0.0001688800000000, 0.0000319700000000 ] - [ 0.0010311700000000, 0.0030778200000000, -0.0010685800000000 ] - [ 0.0001460300000000, 0.0025359200000000, -0.0010920500000000 ] - [ -0.0001418300000000, -0.0000153700000000, 0.0004090600000000 ] - [ -0.0001256800000000, -0.0000321100000000, 0.0003249100000000 ] - [ -0.0000572400000000, -0.0001668800000000, -0.0000816700000000 ] - [ -0.0001318300000000, -0.0001592800000000, -0.0003454400000000 ] - [ -0.0000284900000000, -0.0003728900000000, 0.0002417500000000 ] - [ 0.0000669600000000, -0.0000286100000000, -0.0002979400000000 ] - [ 0.0001196800000000, 0.0001427900000000, 0.0003528000000000 ] - [ 0.0001374600000000, 0.0001247700000000, 0.0002811300000000 ] - [ -0.0023511800000000, 0.0023295100000000, 0.0017911300000000 ] - [ 0.0015173100000000, 0.0027528600000000, 0.0024953300000000 ] - [ -0.0003520300000000, -0.0005127000000000, -0.0002384800000000 ] - [ 0.0000865400000000, 0.0000959000000000, 0.0000089800000000 ] - [ 0.0004074000000000, -0.0004410900000000, -0.0004256000000000 ] - [ 0.0007520600000000, -0.0001560500000000, -0.0001166600000000 ] - [ 0.0005268900000000, 0.0001554200000000, 0.0003771800000000 ] - [ 0.0006746400000000, 0.0001418500000000, 0.0003537100000000 ] - [ 0.0000693600000000, 0.0023706400000000, 0.0010418100000000 ] - [ -0.0008103500000000, 0.0010908800000000, 0.0002488300000000 ] - [ -0.0006365100000000, -0.0001454700000000, 0.0001305300000000 ] - [ -0.0004537000000000, 0.0000930600000000, -0.0002309100000000 ] - [ 0.0000563800000000, -0.0018948600000000, 0.0004110300000000 ] - [ 0.0003019600000000, -0.0004564000000000, -0.0006275300000000 ] - [ 0.0001147100000000, 0.0003523700000000, 0.0000816600000000 ] - [ 0.0002159000000000, 0.0003073900000000, -0.0000888400000000 ] - [ -0.0002431100000000, 0.0006666500000000, 0.0000180300000000 ] - [ 0.0002056900000000, 0.0005632100000000, 0.0007983500000000 ] - [ -0.0003674300000000, -0.0000006600000000, 0.0007967700000000 ] - [ -0.0001815100000000, 0.0002889700000000, 0.0004262800000000 ] - [ -0.0001397900000000, -0.0000227000000000, -0.0001902100000000 ] - [ 0.0001374500000000, -0.0000388700000000, 0.0000135800000000 ] - [ 0.0000933900000000, 0.0001362300000000, -0.0001919500000000 ] - [ -0.0000452100000000, 0.0001429600000000, -0.0002646000000000 ] - [ 0.0004797500000000, -0.0001127400000000, -0.0016502300000000 ] - [ -0.0003276800000000, 0.0001212300000000, -0.0002014800000000 ] - [ -0.0000564200000000, -0.0006629800000000, 0.0030064500000000 ] - [ -0.0002658600000000, -0.0002758300000000, 0.0001212200000000 ] - [ -0.0003040200000000, 0.0001314800000000, -0.0007311600000000 ] - [ 0.0002836700000000, 0.0001642100000000, 0.0008755600000000 ] - [ 0.0001858700000000, 0.0017021300000000, -0.0012745300000000 ] - [ -0.0002447600000000, 0.0000922300000000, -0.0004064400000000 ] - [ 0.0000544000000000, -0.0000623800000000, -0.0004966800000000 ] - [ -0.0001439700000000, -0.0000251500000000, -0.0002716700000000 ] - [ 0.0003704300000000, -0.0054572300000000, -0.0003773400000000 ] - [ -0.0012224600000000, -0.0058325500000000, -0.0013708300000000 ] - [ -0.0001863300000000, 0.0000427400000000, -0.0007523500000000 ] - [ -0.0001057300000000, 0.0000466700000000, -0.0008468500000000 ] - [ 0.0000044800000000, -0.0000833900000000, -0.0003166000000000 ] - [ -0.0002937100000000, -0.0000132100000000, -0.0002802500000000 ] - [ 0.0003938400000000, -0.0025310100000000, 0.0008400800000000 ] - [ -0.0005519200000000, -0.0029646900000000, 0.0010527200000000 ] - [ 0.1119163500000000, 0.2818600400000000, 0.0681185500000000 ] - [ -0.0029089300000000, 0.0003875200000000, 0.0003542300000000 ] - [ -0.0016671500000000, 0.0034161100000000, -0.0006786900000000 ] - [ -0.0008113600000000, -0.0003413100000000, 0.0002878600000000 ] - [ 0.0001334300000000, 0.0018229000000000, 0.0016332600000000 ] - [ -0.0011013400000000, 0.0010604300000000, -0.0005901900000000 ] - [ 0.0001933700000000, 0.0001509100000000, -0.0000083300000000 ] - [ 0.0000604000000000, 0.0001353800000000, 0.0000045600000000 ] - [ 0.0001003700000000, -0.0001661100000000, -0.0003567200000000 ] - [ 0.0001268000000000, -0.0001644700000000, -0.0003636600000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001546800000000, -0.0000986200000000, 0.0002911700000000 ] - [ -0.0001098400000000, -0.0000649800000000, 0.0004350600000000 ] - [ -0.0001448200000000, 0.0000019900000000, 0.0000403100000000 ] - [ -0.0001265100000000, 0.0000076200000000, -0.0000036000000000 ] - [ -0.0052661200000000, 0.0011654100000000, -0.0004824800000000 ] - [ 0.0025512800000000, 0.0026332900000000, -0.0011488800000000 ] - [ -0.0002729400000000, 0.0028966800000000, 0.0030472500000000 ] - [ 0.0003512100000000, 0.0000591400000000, 0.0001520600000000 ] - [ 0.0001161500000000, 0.0001081600000000, 0.0004920900000000 ] - [ 0.0001322700000000, 0.0000998200000000, 0.0007094000000000 ] - [ 0.0001341400000000, -0.0000022800000000, -0.0001210800000000 ] - [ 0.0001514800000000, -0.0000232900000000, -0.0002108700000000 ] - [ 0.0039435900000000, -0.0047028400000000, 0.0025014500000000 ] - [ -0.0001250000000000, -0.0023864900000000, -0.0018716400000000 ] - [ -0.0003345300000000, 0.0000979400000000, -0.0000734500000000 ] - [ 0.0000880600000000, -0.0000210900000000, 0.0003089700000000 ] - [ -0.0133458900000000, 0.0018103100000000, -0.0026159000000000 ] - [ -0.0017097600000000, 0.0018785100000000, 0.0003472200000000 ] - [ -0.0003764600000000, -0.0016397300000000, 0.0004968300000000 ] - [ -0.0012445300000000, -0.0005176500000000, 0.0001957000000000 ] - [ 0.0008764800000000, 0.0000888000000000, -0.0001609800000000 ] - [ 0.0007068700000000, 0.0000894700000000, -0.0000582900000000 ] - [ 0.0006577900000000, -0.0000699900000000, -0.0002688200000000 ] - [ 0.0006884100000000, -0.0000715300000000, -0.0002527600000000 ] - [ -0.0106791000000000, -0.0067841600000000, -0.0184440600000000 ] - [ -0.0012591600000000, -0.0002606400000000, -0.0000091200000000 ] - [ -0.0004945000000000, -0.0012094500000000, 0.0009173600000000 ] - [ -0.0000978700000000, -0.0017568200000000, 0.0005084000000000 ] - [ 0.0005828400000000, -0.0003593300000000, 0.0001680900000000 ] - [ 0.0005308000000000, -0.0003512600000000, 0.0001979000000000 ] - [ 0.0005220100000000, 0.0004357600000000, -0.0009322200000000 ] - [ 0.0005169800000000, 0.0004293700000000, -0.0008505900000000 ] - [ 0.1530544600000000, 0.3595350700000000, 0.0973301000000000 ] - [ -0.0008747900000000, 0.0012753300000000, 0.0005978000000000 ] - [ 0.0008235200000000, -0.0018508700000000, -0.0000233800000000 ] - [ 0.0001334000000000, -0.0018539100000000, -0.0001119000000000 ] - [ -0.0001072000000000, 0.0007856400000000, -0.0005014200000000 ] - [ -0.0002280500000000, 0.0008414700000000, -0.0005636700000000 ] - [ -0.0000653000000000, -0.0007413700000000, 0.0001615900000000 ] - [ -0.0001096500000000, -0.0007595900000000, 0.0002038100000000 ] - [ -0.0119462900000000, -0.0481496100000000, -0.0016225400000000 ] - [ -0.0017135000000000, -0.0005476100000000, 0.0003947400000000 ] - [ -0.0014911200000000, -0.0010988600000000, -0.0003448700000000 ] - [ -0.0002485100000000, 0.0000133000000000, -0.0000185200000000 ] - [ 0.0002531700000000, -0.0008646600000000, -0.0005620200000000 ] - [ 0.0001237100000000, -0.0008486400000000, -0.0005629800000000 ] - [ 0.0002873000000000, 0.0007336600000000, 0.0000963900000000 ] - [ 0.0002375600000000, 0.0007499300000000, 0.0001435500000000 ] - [ 0.0004079400000000, 0.0005351900000000, -0.0015600500000000 ] - [ -0.0000524400000000, 0.0000020500000000, -0.0003773200000000 ] - [ -0.0007269200000000, -0.0029086600000000, 0.0014246600000000 ] - [ 0.0001871300000000, -0.0023662800000000, 0.0014430000000000 ] - [ -0.0001786400000000, -0.0001502900000000, -0.0000619600000000 ] - [ -0.0001958900000000, -0.0001373900000000, 0.0000187700000000 ] - [ -0.0002627200000000, 0.0003252500000000, -0.0002773200000000 ] - [ -0.0001877400000000, 0.0003232800000000, -0.0000035100000000 ] - [ 0.0002465500000000, 0.0000963400000000, -0.0005720500000000 ] - [ 0.0001519500000000, -0.0002546900000000, -0.0000211400000000 ] - [ 0.0000983300000000, 0.0001418700000000, -0.0000347300000000 ] - [ 0.0000819800000000, 0.0001591400000000, 0.0000371000000000 ] - [ 0.0021256600000000, -0.0026328200000000, -0.0014670500000000 ] - [ -0.0017201900000000, -0.0030543600000000, -0.0021726300000000 ] - [ 0.0001371900000000, 0.0008021700000000, -0.0000770500000000 ] - [ -0.0003046500000000, 0.0001884000000000, -0.0003267900000000 ] - [ 0.0007776900000000, 0.0001865400000000, -0.0000687800000000 ] - [ 0.0004138300000000, -0.0001006100000000, -0.0003829600000000 ] - [ 0.0006522600000000, 0.0001009600000000, 0.0001130200000000 ] - [ 0.0005054800000000, 0.0001154700000000, 0.0001361900000000 ] - [ -0.0012304300000000, -0.0026309500000000, -0.0005359900000000 ] - [ -0.0003837200000000, -0.0013516900000000, 0.0002454700000000 ] - [ -0.0005458800000000, 0.0004009800000000, -0.0006223500000000 ] - [ -0.0007270900000000, 0.0001630400000000, -0.0002588700000000 ] - [ 0.0003384900000000, 0.0013261000000000, -0.0000657300000000 ] - [ 0.0001103800000000, -0.0001258200000000, 0.0010127300000000 ] - [ 0.0002985700000000, 0.0002307200000000, -0.0004821400000000 ] - [ 0.0001963000000000, 0.0002765900000000, -0.0003066100000000 ] - [ -0.0001686000000000, -0.0012526700000000, -0.0004006200000000 ] - [ -0.0006092500000000, -0.0011466900000000, -0.0011781700000000 ] - [ -0.0000427200000000, 0.0005821400000000, -0.0004106100000000 ] - [ -0.0002303500000000, 0.0002937300000000, -0.0000341500000000 ] - [ 0.0001063400000000, 0.0001678700000000, 0.0003810700000000 ] - [ -0.0001720100000000, 0.0001836900000000, 0.0001778700000000 ] - [ -0.0000593300000000, 0.0000102000000000, 0.0000041200000000 ] - [ 0.0000797600000000, 0.0000034800000000, 0.0000755400000000 ] - [ -0.0004470600000000, -0.0000209500000000, 0.0018413400000000 ] - [ 0.0003616800000000, -0.0002622200000000, 0.0003915200000000 ] - [ 0.0000234700000000, 0.0004956500000000, -0.0032189900000000 ] - [ 0.0002331700000000, 0.0001239400000000, -0.0003118800000000 ] - [ 0.0002492200000000, -0.0001388700000000, 0.0007929600000000 ] - [ -0.0003570000000000, -0.0001755400000000, -0.0008502200000000 ] - [ -0.0001188600000000, -0.0016893000000000, 0.0012924900000000 ] - [ 0.0003148500000000, -0.0000811900000000, 0.0004231100000000 ] - [ -0.0001236700000000, 0.0000721600000000, 0.0004843400000000 ] - [ 0.0000746600000000, 0.0000356100000000, 0.0002587900000000 ] - [ -0.0002900500000000, 0.0054665500000000, 0.0003450300000000 ] - [ 0.0012530200000000, 0.0058300900000000, 0.0013390600000000 ] - [ -0.0001054900000000, -0.0000011300000000, 0.0001950600000000 ] - [ -0.0001873600000000, -0.0000047900000000, 0.0002910100000000 ] - [ -0.0002970200000000, 0.0000421500000000, 0.0008779400000000 ] - [ 0.0000021100000000, -0.0000289000000000, 0.0008406800000000 ] - [ -0.0001206800000000, 0.0025634600000000, -0.0002411800000000 ] - [ 0.0008500200000000, 0.0029949700000000, -0.0004755400000000 ] - [ -0.1214614200000000, -0.2966680800000000, -0.0746407500000000 ] - [ 0.0032529300000000, -0.0004284300000000, -0.0009344400000000 ] - [ 0.0012905100000000, -0.0025486700000000, 0.0003178900000000 ] - [ 0.0005649300000000, 0.0006361100000000, -0.0006167900000000 ] - [ -0.0003632300000000, -0.0021093800000000, -0.0013344300000000 ] - [ 0.0008595500000000, -0.0013506100000000, 0.0009118100000000 ] - [ 0.0000475300000000, 0.0001427500000000, 0.0003386900000000 ] - [ 0.0001823400000000, 0.0001584300000000, 0.0003254200000000 ] - [ 0.0001419900000000, -0.0001279400000000, 0.0000289700000000 ] - [ 0.0001152400000000, -0.0001295800000000, 0.0000359500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001074500000000, -0.0000002900000000, -0.0003168400000000 ] - [ -0.0002572800000000, -0.0001435100000000, -0.0005979300000000 ] - [ -0.0000890100000000, 0.0000878700000000, -0.0008396100000000 ] - [ -0.0001162900000000, 0.0000714300000000, -0.0007336300000000 ] - [ -0.0003477400000000, 0.0003960000000000, 0.0017712100000000 ] - [ -0.0001444300000000, -0.0004489000000000, 0.0008982800000000 ] - [ 0.0002273300000000, -0.0033268400000000, -0.0032257000000000 ] - [ 0.0001894700000000, 0.0002072800000000, 0.0004713900000000 ] - [ 0.0001738400000000, 0.0000950100000000, 0.0000098200000000 ] - [ -0.0000178300000000, 0.0003028800000000, -0.0002339400000000 ] - [ 0.0001405400000000, -0.0000437500000000, -0.0011529900000000 ] - [ 0.0001373700000000, 0.0000055100000000, -0.0009506100000000 ] - [ 0.0048841600000000, -0.0011116600000000, 0.0069257600000000 ] - [ 0.0007666100000000, 0.0007286400000000, 0.0008069200000000 ] - [ -0.0003084500000000, 0.0003271700000000, -0.0001433200000000 ] - [ -0.0000960100000000, 0.0000376700000000, 0.0001609100000000 ] - [ -0.0024482400000000, -0.0003970300000000, -0.0160570000000000 ] - [ 0.0004252000000000, -0.0003344600000000, -0.0022856300000000 ] - [ -0.0021855500000000, 0.0004808400000000, -0.0004595300000000 ] - [ 0.0001483800000000, 0.0000969100000000, -0.0005048500000000 ] - [ 0.0004417500000000, 0.0000438200000000, 0.0007245900000000 ] - [ 0.0006993400000000, 0.0000559400000000, 0.0005515200000000 ] - [ 0.0009418400000000, -0.0001245900000000, 0.0005385900000000 ] - [ 0.0008991500000000, -0.0001229400000000, 0.0005198300000000 ] - [ 0.0174613900000000, 0.0411826200000000, 0.0230202000000000 ] - [ -0.0001592500000000, -0.0005768800000000, -0.0028563900000000 ] - [ -0.0002769400000000, 0.0005701900000000, -0.0014199100000000 ] - [ -0.0007921100000000, 0.0002221200000000, -0.0019343600000000 ] - [ 0.0004502600000000, -0.0005040900000000, 0.0017432000000000 ] - [ 0.0005287100000000, -0.0005033500000000, 0.0016512300000000 ] - [ 0.0006034800000000, 0.0002646300000000, 0.0007863100000000 ] - [ 0.0005963900000000, 0.0002768700000000, 0.0005711500000000 ] - [ -0.0668355000000000, -0.0923848100000000, -0.1125375700000000 ] - [ 0.0003326800000000, 0.0005492400000000, -0.0005504700000000 ] - [ 0.0006792900000000, -0.0010415800000000, -0.0008643600000000 ] - [ -0.0003875800000000, -0.0011258400000000, -0.0008653600000000 ] - [ -0.0001152400000000, 0.0006477300000000, 0.0001544800000000 ] - [ 0.0000948900000000, 0.0005846500000000, 0.0001919700000000 ] - [ -0.0003095400000000, -0.0009861000000000, 0.0010032900000000 ] - [ -0.0002129300000000, -0.0009429400000000, 0.0008869300000000 ] - [ -0.0024709600000000, -0.0161210500000000, -0.0155478100000000 ] - [ 0.0001021400000000, -0.0006172400000000, -0.0006033600000000 ] - [ 0.0016057000000000, 0.0026326700000000, -0.0005887300000000 ] - [ -0.0007952100000000, 0.0012203900000000, -0.0008533800000000 ] - [ 0.0002167500000000, -0.0005388100000000, 0.0003346200000000 ] - [ 0.0004481400000000, -0.0005435800000000, 0.0003086500000000 ] - [ 0.0000481600000000, 0.0010180800000000, 0.0010786900000000 ] - [ 0.0001529800000000, 0.0009768000000000, 0.0009509000000000 ] - [ 0.0001766900000000, -0.0008085200000000, 0.0020448800000000 ] - [ 0.0002509600000000, -0.0001490900000000, 0.0001017300000000 ] - [ 0.0001334400000000, 0.0010071500000000, -0.0006351200000000 ] - [ 0.0007378000000000, 0.0009014000000000, -0.0006942400000000 ] - [ -0.0000589600000000, 0.0001694900000000, 0.0009582200000000 ] - [ -0.0000876100000000, 0.0001344200000000, 0.0008051800000000 ] - [ -0.0000386500000000, 0.0008263900000000, 0.0015519900000000 ] - [ -0.0004236600000000, 0.0002488700000000, 0.0001058000000000 ] - [ 0.0000871900000000, -0.0012387200000000, 0.0018378100000000 ] - [ -0.0001954400000000, -0.0003401300000000, 0.0000630100000000 ] - [ 0.0002027200000000, 0.0000123100000000, 0.0008292400000000 ] - [ 0.0001734700000000, 0.0000051900000000, 0.0006969300000000 ] - [ -0.0014591800000000, 0.0014152700000000, 0.0004498200000000 ] - [ 0.0011059100000000, 0.0015623200000000, 0.0006334500000000 ] - [ -0.0000027700000000, -0.0000082400000000, 0.0009697500000000 ] - [ -0.0000474400000000, 0.0001975100000000, 0.0001992400000000 ] - [ -0.0004991300000000, -0.0002957500000000, 0.0002370400000000 ] - [ 0.0022221500000000, -0.0000461500000000, 0.0008685100000000 ] - [ 0.0005352000000000, 0.0001633300000000, 0.0007643300000000 ] - [ 0.0006625600000000, 0.0001534900000000, 0.0006609900000000 ] - [ 0.0001219600000000, 0.0009035100000000, 0.0004669900000000 ] - [ -0.0010867400000000, 0.0003987300000000, 0.0001801100000000 ] - [ -0.0001316300000000, -0.0000596000000000, 0.0005188400000000 ] - [ -0.0009779600000000, 0.0001271700000000, 0.0002207200000000 ] - [ 0.0029697300000000, -0.0021227700000000, 0.0060102100000000 ] - [ -0.0000477900000000, -0.0003732800000000, -0.0002622000000000 ] - [ 0.0000547000000000, 0.0002802600000000, 0.0008347400000000 ] - [ 0.0000190900000000, 0.0002662600000000, 0.0005495400000000 ] - [ -0.0004116500000000, 0.0000862900000000, -0.0000839800000000 ] - [ 0.0001307200000000, 0.0000341000000000, 0.0003838200000000 ] - [ -0.0004811000000000, 0.0001735000000000, 0.0019236300000000 ] - [ -0.0004077300000000, 0.0003453700000000, 0.0009924300000000 ] - [ -0.0002469500000000, -0.0001018700000000, -0.0004311500000000 ] - [ 0.0002795600000000, -0.0001532300000000, -0.0003958200000000 ] - [ 0.0002125500000000, 0.0002224500000000, -0.0006864600000000 ] - [ -0.0001296400000000, 0.0002038000000000, -0.0006337700000000 ] - [ 0.0006798700000000, -0.0008329100000000, -0.0016923300000000 ] - [ -0.0003578100000000, -0.0001822200000000, -0.0001129400000000 ] - [ 0.0006092600000000, 0.0008346300000000, -0.0002014000000000 ] - [ -0.0004017500000000, -0.0000394900000000, 0.0002945400000000 ] - [ -0.0020660500000000, -0.0003246200000000, -0.0056621700000000 ] - [ 0.0015585600000000, 0.0000232900000000, -0.0000403300000000 ] - [ -0.0006160800000000, 0.0011056700000000, -0.0033102400000000 ] - [ 0.0005533100000000, -0.0000643600000000, -0.0010291700000000 ] - [ 0.0000359500000000, -0.0000977800000000, -0.0017410800000000 ] - [ -0.0000884000000000, -0.0000642800000000, -0.0013199000000000 ] - [ 0.0004788300000000, -0.0022589800000000, -0.0000821800000000 ] - [ -0.0012991000000000, -0.0023504000000000, -0.0005345400000000 ] - [ -0.0002203900000000, 0.0000749900000000, -0.0020102000000000 ] - [ -0.0000565100000000, 0.0000820000000000, -0.0022812300000000 ] - [ 0.0000544700000000, -0.0000191300000000, -0.0015233800000000 ] - [ -0.0003977100000000, 0.0000373200000000, -0.0013705300000000 ] - [ 0.0022793900000000, -0.0000267300000000, 0.0034809300000000 ] - [ -0.0018339800000000, -0.0013012400000000, 0.0035149000000000 ] - [ 0.0428466400000000, 0.0707544800000000, 0.1112418400000000 ] - [ -0.0011348700000000, 0.0002950200000000, 0.0028713600000000 ] - [ 0.0004242600000000, -0.0012380600000000, 0.0021674800000000 ] - [ -0.0004064200000000, -0.0000335400000000, 0.0011395500000000 ] - [ 0.0027373800000000, 0.0002007200000000, -0.0009673300000000 ] - [ -0.0021471200000000, 0.0003104600000000, -0.0000349400000000 ] - [ 0.0003222700000000, 0.0001099500000000, -0.0006134000000000 ] - [ -0.0000058000000000, 0.0001052400000000, -0.0005119900000000 ] - [ 0.0000701900000000, -0.0001940600000000, -0.0008099500000000 ] - [ 0.0001168600000000, -0.0001899500000000, -0.0008347200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001539100000000, -0.0000639600000000, 0.0006524400000000 ] - [ -0.0000048800000000, 0.0000783300000000, 0.0009307400000000 ] - [ -0.0001709100000000, -0.0000234300000000, 0.0005040600000000 ] - [ -0.0001441000000000, -0.0000070400000000, 0.0003975700000000 ] - [ 0.0006416200000000, -0.0004674400000000, -0.0021026500000000 ] - [ 0.0003837700000000, 0.0003507500000000, -0.0012245100000000 ] - [ 0.0000345700000000, 0.0033939200000000, 0.0035590500000000 ] - [ 0.0000695500000000, -0.0001427600000000, -0.0001399500000000 ] - [ 0.0001015200000000, -0.0000515800000000, 0.0007386700000000 ] - [ 0.0002920300000000, -0.0002575800000000, 0.0009807700000000 ] - [ 0.0001393400000000, 0.0000006200000000, 0.0004061500000000 ] - [ 0.0001420100000000, -0.0000494900000000, 0.0002035800000000 ] - [ -0.0048028200000000, 0.0011484400000000, -0.0075381100000000 ] - [ -0.0010466900000000, -0.0006672600000000, -0.0015268600000000 ] - [ 0.0000307400000000, -0.0003689100000000, 0.0008888800000000 ] - [ -0.0001837600000000, -0.0000793700000000, 0.0005836100000000 ] - [ 0.0011194600000000, 0.0007307600000000, 0.0159607300000000 ] - [ -0.0018956100000000, 0.0005023500000000, 0.0021138400000000 ] - [ 0.0007373200000000, -0.0006515200000000, 0.0006360000000000 ] - [ -0.0016035100000000, -0.0002662900000000, 0.0006838300000000 ] - [ 0.0010122700000000, 0.0001254000000000, -0.0005498100000000 ] - [ 0.0007569500000000, 0.0001129200000000, -0.0003792800000000 ] - [ 0.0005083700000000, -0.0000442800000000, -0.0007115500000000 ] - [ 0.0005598100000000, -0.0000461200000000, -0.0006897900000000 ] - [ -0.0188948500000000, -0.0428677300000000, -0.0248546500000000 ] - [ -0.0009097400000000, -0.0001992600000000, 0.0017657300000000 ] - [ -0.0007943000000000, 0.0002152100000000, 0.0025379900000000 ] - [ -0.0002836300000000, 0.0005626900000000, 0.0030440400000000 ] - [ 0.0006231500000000, -0.0002719600000000, -0.0006408000000000 ] - [ 0.0005449500000000, -0.0002734100000000, -0.0005460300000000 ] - [ 0.0004687800000000, 0.0005125300000000, -0.0018884700000000 ] - [ 0.0004770100000000, 0.0004995200000000, -0.0016708100000000 ] - [ 0.0671568300000000, 0.0952213300000000, 0.1129749600000000 ] - [ -0.0000683700000000, 0.0010397700000000, 0.0012554900000000 ] - [ -0.0004275900000000, -0.0005518000000000, 0.0001661100000000 ] - [ 0.0006433600000000, -0.0004635800000000, 0.0001649900000000 ] - [ -0.0001400400000000, 0.0009466600000000, -0.0008589800000000 ] - [ -0.0003473400000000, 0.0010071900000000, -0.0008962300000000 ] - [ 0.0000556100000000, -0.0006059100000000, -0.0002970800000000 ] - [ -0.0000390900000000, -0.0006480300000000, -0.0001822300000000 ] - [ 0.0021041800000000, 0.0146919100000000, 0.0161844500000000 ] - [ -0.0005482200000000, -0.0009610900000000, 0.0012392800000000 ] - [ -0.0020697700000000, -0.0010587100000000, -0.0000425400000000 ] - [ 0.0003390800000000, 0.0003540500000000, 0.0002244400000000 ] - [ 0.0002374000000000, -0.0010448600000000, -0.0009723700000000 ] - [ 0.0000105200000000, -0.0010358300000000, -0.0009444000000000 ] - [ 0.0004089300000000, 0.0005604100000000, -0.0004417600000000 ] - [ 0.0003039500000000, 0.0006039000000000, -0.0003131600000000 ] - [ 0.0001458500000000, 0.0006377400000000, -0.0023908100000000 ] - [ 0.0000712800000000, -0.0000196200000000, -0.0004442400000000 ] - [ 0.0002004900000000, -0.0008090700000000, 0.0009596700000000 ] - [ -0.0004166400000000, -0.0007186200000000, 0.0010285200000000 ] - [ -0.0002617100000000, -0.0003346700000000, -0.0006094000000000 ] - [ -0.0002339000000000, -0.0003031600000000, -0.0004594000000000 ] - [ -0.0002799200000000, -0.0006547400000000, -0.0018901900000000 ] - [ 0.0001020300000000, -0.0000831800000000, -0.0004560300000000 ] - [ 0.0001280600000000, 0.0009383900000000, -0.0021369800000000 ] - [ 0.0004107100000000, 0.0000519300000000, -0.0003821900000000 ] - [ 0.0000147600000000, 0.0002725500000000, -0.0005104600000000 ] - [ 0.0000457900000000, 0.0002788600000000, -0.0003775900000000 ] - [ 0.0012287500000000, -0.0016896100000000, -0.0001333400000000 ] - [ -0.0013152800000000, -0.0018355500000000, -0.0003094000000000 ] - [ -0.0002128600000000, 0.0003027100000000, -0.0012833200000000 ] - [ -0.0001684500000000, 0.0000901600000000, -0.0005129900000000 ] - [ 0.0016692700000000, 0.0000368800000000, -0.0007268900000000 ] - [ -0.0010301100000000, -0.0002080400000000, -0.0013504700000000 ] - [ 0.0006424400000000, 0.0000928100000000, -0.0002726800000000 ] - [ 0.0005161000000000, 0.0001037000000000, -0.0001695200000000 ] - [ -0.0013011700000000, -0.0011457400000000, 0.0000212800000000 ] - [ -0.0000929400000000, -0.0006473900000000, 0.0003074800000000 ] - [ -0.0010511400000000, 0.0003159100000000, -0.0010092200000000 ] - [ -0.0001974500000000, 0.0001286000000000, -0.0007099700000000 ] - [ -0.0025176600000000, 0.0015092300000000, -0.0055531200000000 ] - [ 0.0004572300000000, -0.0002100300000000, 0.0006385800000000 ] - [ 0.0003574300000000, 0.0003021300000000, -0.0012298300000000 ] - [ 0.0003921400000000, 0.0003173100000000, -0.0009395300000000 ] - [ -0.0000020700000000, -0.0006642800000000, -0.0003152200000000 ] - [ -0.0005417400000000, -0.0006129800000000, -0.0007752700000000 ] - [ 0.0000707900000000, 0.0004091300000000, -0.0015371300000000 ] - [ -0.0000033200000000, 0.0002372900000000, -0.0005977600000000 ] - [ 0.0002144200000000, 0.0002478000000000, 0.0006211000000000 ] - [ -0.0003146600000000, 0.0002995000000000, 0.0005862000000000 ] - [ -0.0001794100000000, -0.0000765900000000, 0.0004959600000000 ] - [ 0.0001643400000000, -0.0000580700000000, 0.0004418300000000 ] - [ -0.0006407400000000, 0.0006784200000000, 0.0018699500000000 ] - [ 0.0003878100000000, 0.0000349200000000, 0.0003060400000000 ] - [ -0.0006376700000000, -0.0009711300000000, 0.0000309800000000 ] - [ 0.0003644200000000, -0.0001053800000000, -0.0004790800000000 ] - [ 0.0019912900000000, 0.0003083600000000, 0.0056549200000000 ] - [ -0.0016104800000000, -0.0000332200000000, 0.0000737100000000 ] - [ 0.0006859300000000, -0.0010983900000000, 0.0033307500000000 ] - [ -0.0004898100000000, 0.0000760500000000, 0.0010407700000000 ] - [ -0.0001023000000000, 0.0001091100000000, 0.0017230200000000 ] - [ 0.0000216100000000, 0.0000758400000000, 0.0013006100000000 ] - [ -0.0004173300000000, 0.0022141900000000, 0.0000811700000000 ] - [ 0.0013647400000000, 0.0023093400000000, 0.0005198000000000 ] - [ -0.0000721000000000, -0.0000342100000000, 0.0014493200000000 ] - [ -0.0002384300000000, -0.0000407100000000, 0.0017184500000000 ] - [ -0.0003456500000000, -0.0000225600000000, 0.0020827400000000 ] - [ 0.0001012500000000, -0.0000784900000000, 0.0019295000000000 ] - [ -0.0019944500000000, 0.0000665300000000, -0.0029382600000000 ] - [ 0.0021312500000000, 0.0013459400000000, -0.0029818100000000 ] - [ -0.0428969900000000, -0.0713546600000000, -0.1111288000000000 ] - [ 0.0014129300000000, -0.0003329800000000, -0.0034446900000000 ] - [ -0.0006491300000000, 0.0014685900000000, -0.0024841400000000 ] - [ 0.0001599500000000, 0.0003258100000000, -0.0014655000000000 ] - [ -0.0029866900000000, -0.0004974900000000, 0.0012896200000000 ] - [ 0.0019094200000000, -0.0006035100000000, 0.0003509200000000 ] - [ -0.0000783700000000, 0.0001841300000000, 0.0009405600000000 ] - [ 0.0002465300000000, 0.0001888200000000, 0.0008397100000000 ] - [ 0.0001724800000000, -0.0001000400000000, 0.0004811000000000 ] - [ 0.0001251400000000, -0.0001040600000000, 0.0005056100000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000970700000000, 0.0000309600000000, 0.0003202700000000 ] - [ -0.0002112700000000, -0.0001298600000000, -0.0002503300000000 ] - [ -0.0000919400000000, 0.0000477500000000, -0.0003121700000000 ] - [ -0.0001596400000000, 0.0000473600000000, -0.0002828400000000 ] - [ 0.0185917300000000, -0.0020127700000000, -0.0020283000000000 ] - [ -0.0043646900000000, -0.0037028400000000, 0.0005664900000000 ] - [ 0.0008895300000000, -0.0011395200000000, -0.0005042800000000 ] - [ -0.0005837000000000, 0.0000079400000000, 0.0003016100000000 ] - [ 0.0001485400000000, 0.0000249500000000, 0.0006938000000000 ] - [ 0.0000734200000000, 0.0001111800000000, -0.0001442100000000 ] - [ 0.0001712200000000, -0.0000379300000000, -0.0005539300000000 ] - [ 0.0001012300000000, -0.0000298300000000, -0.0005010300000000 ] - [ -0.0008016100000000, -0.0031821100000000, -0.0007388200000000 ] - [ -0.0033739100000000, 0.0023455700000000, 0.0034428900000000 ] - [ 0.0003829900000000, 0.0002820200000000, 0.0003509800000000 ] - [ -0.0007065500000000, -0.0000021700000000, 0.0004399300000000 ] - [ 0.0295565600000000, -0.0384216700000000, 0.0143511800000000 ] - [ 0.0073482100000000, 0.0018773700000000, -0.0017960800000000 ] - [ -0.0023430400000000, -0.0001793300000000, -0.0012802300000000 ] - [ 0.0006030500000000, -0.0000274000000000, 0.0005881300000000 ] - [ 0.0003450600000000, 0.0000620200000000, 0.0003775800000000 ] - [ 0.0010393100000000, 0.0000954700000000, 0.0000250200000000 ] - [ 0.0007270800000000, -0.0000891500000000, 0.0000171200000000 ] - [ 0.0008182800000000, -0.0000976400000000, 0.0000793600000000 ] - [ -0.0146853200000000, -0.0049179400000000, 0.0041724900000000 ] - [ 0.0015405300000000, -0.0003434100000000, -0.0015450500000000 ] - [ 0.0002451700000000, 0.0015475800000000, 0.0020024800000000 ] - [ 0.0017193000000000, -0.0030664500000000, -0.0052022400000000 ] - [ 0.0004206500000000, -0.0004181800000000, 0.0007748600000000 ] - [ 0.0006295900000000, -0.0004102300000000, 0.0007930000000000 ] - [ 0.0005623300000000, 0.0003452500000000, -0.0001191000000000 ] - [ 0.0005413100000000, 0.0003782300000000, -0.0004515100000000 ] - [ -0.0162867600000000, 0.0122562900000000, -0.0018822200000000 ] - [ 0.0050157400000000, 0.0022802700000000, 0.0006777600000000 ] - [ -0.0000041900000000, -0.0008229500000000, 0.0002129200000000 ] - [ 0.0005883900000000, -0.0020692100000000, -0.0021988500000000 ] - [ -0.0003410300000000, 0.0008244300000000, -0.0003622300000000 ] - [ 0.0001264000000000, 0.0006928300000000, -0.0001329700000000 ] - [ -0.0001876900000000, -0.0008569100000000, 0.0005347200000000 ] - [ -0.0001265300000000, -0.0008064100000000, 0.0004290000000000 ] - [ -0.1575031400000000, 0.1190608300000000, -0.0659151600000000 ] - [ 0.0029956200000000, -0.0011484400000000, 0.0004008600000000 ] - [ 0.0000119300000000, 0.0011515200000000, 0.0003013900000000 ] - [ 0.0000018100000000, 0.0014342900000000, -0.0018480700000000 ] - [ -0.0000264100000000, -0.0007917300000000, -0.0003107500000000 ] - [ 0.0005155100000000, -0.0006967100000000, -0.0000850100000000 ] - [ 0.0001700900000000, 0.0008565100000000, 0.0005277500000000 ] - [ 0.0002290100000000, 0.0008072600000000, 0.0004128000000000 ] - [ -0.0000829400000000, -0.0000781900000000, 0.0003698100000000 ] - [ 0.0004801300000000, -0.0000944100000000, 0.0000235100000000 ] - [ 0.0017509400000000, 0.0030037000000000, -0.0025037500000000 ] - [ 0.0017494800000000, -0.0030867400000000, 0.0027082300000000 ] - [ -0.0001791700000000, -0.0000492000000000, 0.0003486200000000 ] - [ -0.0001092300000000, -0.0000677600000000, 0.0002389800000000 ] - [ -0.0001980800000000, 0.0008810100000000, 0.0015375100000000 ] - [ -0.0000610400000000, -0.0002241000000000, -0.0007942300000000 ] - [ 0.0001060900000000, -0.0006241200000000, 0.0008891100000000 ] - [ 0.0002264400000000, 0.0001526900000000, -0.0007341900000000 ] - [ 0.0000859900000000, 0.0001391700000000, 0.0003124200000000 ] - [ 0.0001634600000000, 0.0001414400000000, 0.0002107300000000 ] - [ -0.0000913500000000, -0.0007189200000000, -0.0008185600000000 ] - [ 0.0001887900000000, -0.0011789400000000, 0.0001356900000000 ] - [ -0.0003347900000000, -0.0000167900000000, 0.0000685900000000 ] - [ 0.0002142100000000, 0.0001690800000000, 0.0000926800000000 ] - [ 0.0001585400000000, -0.0001488800000000, -0.0008759800000000 ] - [ 0.0017280600000000, -0.0001474100000000, 0.0004381400000000 ] - [ 0.0004383300000000, 0.0001325400000000, 0.0003165400000000 ] - [ 0.0007527100000000, 0.0001346300000000, 0.0003182800000000 ] - [ -0.0011280400000000, -0.0012786800000000, 0.0010917800000000 ] - [ 0.0011082400000000, 0.0001991900000000, -0.0003340100000000 ] - [ -0.0008579400000000, 0.0000894000000000, 0.0000642500000000 ] - [ -0.0003463300000000, 0.0001484600000000, -0.0002022300000000 ] - [ 0.0014502900000000, 0.0010232100000000, 0.0049471500000000 ] - [ 0.0006389600000000, -0.0001573800000000, -0.0016793400000000 ] - [ 0.0000300900000000, 0.0002906900000000, 0.0000600100000000 ] - [ 0.0003484000000000, 0.0002846200000000, -0.0002576200000000 ] - [ -0.0004444000000000, -0.0001403000000000, -0.0016905800000000 ] - [ 0.0001408100000000, -0.0007946800000000, 0.0012352000000000 ] - [ -0.0003858800000000, 0.0002541300000000, 0.0006078800000000 ] - [ -0.0001709700000000, 0.0003146300000000, 0.0004189600000000 ] - [ -0.0000819100000000, 0.0000176700000000, -0.0001965500000000 ] - [ 0.0000792400000000, -0.0000731800000000, 0.0002553400000000 ] - [ 0.0000855900000000, 0.0001474000000000, -0.0001524400000000 ] - [ -0.0000305400000000, 0.0001231000000000, -0.0002852800000000 ] - [ 0.0009785500000000, -0.0000564700000000, 0.0002045800000000 ] - [ -0.0007923500000000, -0.0000690900000000, 0.0001092400000000 ] - [ 0.0032086000000000, -0.0002307600000000, -0.0013327100000000 ] - [ -0.0013003100000000, -0.0001473300000000, -0.0001430700000000 ] - [ -0.0017942100000000, 0.0004609900000000, -0.0039452800000000 ] - [ 0.0004079000000000, -0.0000163000000000, 0.0023407500000000 ] - [ 0.0004311300000000, 0.0002845300000000, -0.0007454900000000 ] - [ -0.0003966900000000, -0.0000612100000000, -0.0004353800000000 ] - [ 0.0001821000000000, -0.0000209900000000, -0.0003953200000000 ] - [ -0.0002749500000000, -0.0000100900000000, -0.0000515600000000 ] - [ -0.0014589800000000, -0.0013355700000000, 0.0026854800000000 ] - [ 0.0004827600000000, 0.0039557800000000, -0.0028866500000000 ] - [ -0.0001390500000000, 0.0000188200000000, -0.0004928400000000 ] - [ -0.0001528700000000, 0.0000482900000000, -0.0008709200000000 ] - [ 0.0004738900000000, 0.0000017500000000, -0.0000352600000000 ] - [ -0.0007488300000000, -0.0000177200000000, -0.0001058700000000 ] - [ 0.0014710900000000, 0.0009090700000000, 0.0078943400000000 ] - [ -0.0012661000000000, -0.0005734200000000, -0.0018889400000000 ] - [ 0.1285244700000000, -0.0846706200000000, 0.0501222900000000 ] - [ -0.0102200300000000, -0.0009018800000000, 0.0006938100000000 ] - [ 0.0024913800000000, 0.0021979700000000, 0.0003158200000000 ] - [ -0.0015903200000000, 0.0004946000000000, 0.0000647800000000 ] - [ 0.0005500000000000, -0.0003914700000000, 0.0008221000000000 ] - [ -0.0012130500000000, 0.0002316200000000, -0.0018768200000000 ] - [ 0.0004244300000000, 0.0001438400000000, -0.0000038400000000 ] - [ -0.0001470900000000, 0.0001351800000000, 0.0000366300000000 ] - [ 0.0001048300000000, -0.0001605700000000, -0.0002781300000000 ] - [ 0.0001264300000000, -0.0001531400000000, -0.0003154300000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001644300000000, -0.0000943300000000, 0.0000145500000000 ] - [ -0.0000495500000000, 0.0000668000000000, 0.0005841700000000 ] - [ -0.0001671800000000, 0.0000150900000000, -0.0000299800000000 ] - [ -0.0000999700000000, 0.0000161400000000, -0.0000571500000000 ] - [ -0.0169471400000000, 0.0016043600000000, 0.0015891200000000 ] - [ 0.0046234200000000, 0.0036522100000000, -0.0009045000000000 ] - [ -0.0006258100000000, 0.0011749800000000, 0.0008183900000000 ] - [ 0.0008413700000000, 0.0000593500000000, 0.0000419500000000 ] - [ 0.0001264100000000, 0.0000180900000000, 0.0000521400000000 ] - [ 0.0002023100000000, -0.0000684800000000, 0.0008881200000000 ] - [ 0.0001086400000000, -0.0000056000000000, -0.0001968100000000 ] - [ 0.0001783100000000, -0.0000142400000000, -0.0002461400000000 ] - [ 0.0005614100000000, 0.0031825200000000, 0.0000024200000000 ] - [ 0.0030958400000000, -0.0023079200000000, -0.0042044300000000 ] - [ -0.0006623000000000, -0.0003183000000000, 0.0003934000000000 ] - [ 0.0004263000000000, -0.0000388000000000, 0.0003083400000000 ] - [ -0.0319157000000000, 0.0395143400000000, -0.0147939200000000 ] - [ -0.0087442900000000, -0.0016842100000000, 0.0016085600000000 ] - [ 0.0008628100000000, 0.0000110500000000, 0.0014427400000000 ] - [ -0.0020507300000000, -0.0001416900000000, -0.0004197300000000 ] - [ 0.0011132700000000, 0.0001079800000000, -0.0002034900000000 ] - [ 0.0004195400000000, 0.0000740300000000, 0.0001474800000000 ] - [ 0.0007276700000000, -0.0000808600000000, -0.0001864500000000 ] - [ 0.0006435400000000, -0.0000724200000000, -0.0002466500000000 ] - [ 0.0137763500000000, 0.0040239600000000, -0.0051728500000000 ] - [ -0.0026027800000000, -0.0004373600000000, 0.0004170700000000 ] - [ -0.0013094600000000, -0.0007717500000000, -0.0009038000000000 ] - [ -0.0027713500000000, 0.0038008600000000, 0.0062477700000000 ] - [ 0.0006517300000000, -0.0003584700000000, 0.0003369600000000 ] - [ 0.0004431800000000, -0.0003669000000000, 0.0003203400000000 ] - [ 0.0005091400000000, 0.0004310700000000, -0.0009864300000000 ] - [ 0.0005323400000000, 0.0003973700000000, -0.0006502200000000 ] - [ 0.0165705800000000, -0.0109059500000000, 0.0026942100000000 ] - [ -0.0047463700000000, -0.0006740200000000, 0.0000289000000000 ] - [ 0.0002678800000000, -0.0007780500000000, -0.0009233100000000 ] - [ -0.0003338300000000, 0.0004604200000000, 0.0014749300000000 ] - [ 0.0000841700000000, 0.0007738400000000, -0.0003435200000000 ] - [ -0.0003810000000000, 0.0009028700000000, -0.0005722600000000 ] - [ -0.0000690700000000, -0.0007393700000000, 0.0001757000000000 ] - [ -0.0001270200000000, -0.0007882800000000, 0.0002794100000000 ] - [ 0.1561323100000000, -0.1230330400000000, 0.0680400300000000 ] - [ -0.0034394800000000, -0.0004413400000000, 0.0002360700000000 ] - [ -0.0004534500000000, 0.0004425500000000, -0.0009422600000000 ] - [ -0.0004642000000000, 0.0001460100000000, 0.0011996400000000 ] - [ 0.0004793100000000, -0.0007955700000000, -0.0003295000000000 ] - [ -0.0000584800000000, -0.0008853500000000, -0.0005518700000000 ] - [ 0.0002847200000000, 0.0007249000000000, 0.0001143200000000 ] - [ 0.0002269300000000, 0.0007758400000000, 0.0002293200000000 ] - [ 0.0004021300000000, -0.0000941900000000, -0.0006995800000000 ] - [ -0.0001593700000000, -0.0000685300000000, -0.0003744400000000 ] - [ -0.0014411200000000, -0.0028483700000000, 0.0028620600000000 ] - [ -0.0014184900000000, 0.0032250100000000, -0.0023373000000000 ] - [ -0.0001387800000000, -0.0001121700000000, 0.0000059900000000 ] - [ -0.0002106300000000, -0.0000978300000000, 0.0001104300000000 ] - [ -0.0001208800000000, -0.0007122500000000, -0.0018783000000000 ] - [ -0.0002559900000000, 0.0003884500000000, 0.0004473900000000 ] - [ 0.0001117600000000, 0.0003363000000000, -0.0012041700000000 ] - [ -0.0000055400000000, -0.0004383800000000, 0.0004173800000000 ] - [ 0.0001339700000000, 0.0001426500000000, 0.0000120300000000 ] - [ 0.0000577200000000, 0.0001395100000000, 0.0001123100000000 ] - [ -0.0001184400000000, 0.0004304000000000, 0.0011354800000000 ] - [ -0.0004111100000000, 0.0008777500000000, 0.0001788400000000 ] - [ 0.0001178900000000, 0.0003055700000000, -0.0003767600000000 ] - [ -0.0004320400000000, 0.0001143900000000, -0.0004127800000000 ] - [ 0.0010242700000000, -0.0001074500000000, 0.0003846800000000 ] - [ -0.0005553900000000, -0.0001080800000000, -0.0009264500000000 ] - [ 0.0007362000000000, 0.0001241600000000, 0.0001769100000000 ] - [ 0.0004255100000000, 0.0001228300000000, 0.0001739400000000 ] - [ -0.0000548300000000, 0.0010044400000000, -0.0005928700000000 ] - [ -0.0022827300000000, -0.0004578500000000, 0.0008255100000000 ] - [ -0.0003170400000000, 0.0001655100000000, -0.0005512600000000 ] - [ -0.0008320500000000, 0.0001079400000000, -0.0002879000000000 ] - [ -0.0010435400000000, -0.0015899300000000, -0.0045289300000000 ] - [ -0.0002214400000000, -0.0004260900000000, 0.0020816200000000 ] - [ 0.0003845600000000, 0.0002920100000000, -0.0004579700000000 ] - [ 0.0000652400000000, 0.0002991300000000, -0.0001394400000000 ] - [ 0.0000323800000000, -0.0004432500000000, 0.0012960900000000 ] - [ -0.0005525200000000, 0.0002060800000000, -0.0016198200000000 ] - [ -0.0000271400000000, 0.0003271000000000, -0.0002065400000000 ] - [ -0.0002418300000000, 0.0002682500000000, -0.0000211700000000 ] - [ 0.0000461000000000, 0.0001268900000000, 0.0003846800000000 ] - [ -0.0001098800000000, 0.0002167000000000, -0.0000648900000000 ] - [ -0.0000493200000000, -0.0000009400000000, -0.0000397600000000 ] - [ 0.0000632700000000, 0.0000229000000000, 0.0000929500000000 ] - [ -0.0009432300000000, -0.0000863500000000, -0.0000091900000000 ] - [ 0.0008241200000000, -0.0000758200000000, 0.0000823200000000 ] - [ -0.0032150300000000, 0.0000723500000000, 0.0011375400000000 ] - [ 0.0012626400000000, 0.0000028600000000, -0.0000548600000000 ] - [ 0.0017244300000000, -0.0004695100000000, 0.0039577000000000 ] - [ -0.0004857500000000, 0.0000060800000000, -0.0023302700000000 ] - [ -0.0003676200000000, -0.0002674000000000, 0.0007398500000000 ] - [ 0.0004688000000000, 0.0000694700000000, 0.0004531900000000 ] - [ -0.0002501000000000, 0.0000303300000000, 0.0003724000000000 ] - [ 0.0002045200000000, 0.0000203800000000, 0.0000334900000000 ] - [ 0.0015150900000000, 0.0013214200000000, -0.0026912400000000 ] - [ -0.0004104400000000, -0.0039238800000000, 0.0028506500000000 ] - [ -0.0001526800000000, 0.0000227300000000, -0.0000722800000000 ] - [ -0.0001377900000000, -0.0000063300000000, 0.0003048300000000 ] - [ -0.0007626000000000, -0.0000428000000000, 0.0005899500000000 ] - [ 0.0004556100000000, -0.0000239800000000, 0.0006593000000000 ] - [ -0.0011470400000000, -0.0008542900000000, -0.0072688300000000 ] - [ 0.0015369500000000, 0.0006081500000000, 0.0024629700000000 ] - [ -0.1281764400000000, 0.0868785300000000, -0.0520377000000000 ] - [ 0.0104768600000000, 0.0008719800000000, -0.0012274000000000 ] - [ -0.0027158400000000, -0.0018711300000000, -0.0006322800000000 ] - [ 0.0013443500000000, -0.0001985700000000, -0.0003899200000000 ] - [ -0.0007680400000000, 0.0000925100000000, -0.0004925800000000 ] - [ 0.0009512600000000, -0.0005235000000000, 0.0022115900000000 ] - [ -0.0001813100000000, 0.0001500800000000, 0.0003311200000000 ] - [ 0.0003889500000000, 0.0001587600000000, 0.0002903200000000 ] - [ 0.0001373000000000, -0.0001338200000000, -0.0000533100000000 ] - [ 0.0001162500000000, -0.0001412000000000, -0.0000160800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001567200000000, -0.0001301200000000, 0.0003319900000000 ] - [ -0.0001190900000000, -0.0001134300000000, 0.0004229400000000 ] - [ -0.0001426100000000, -0.0000160400000000, 0.0000861100000000 ] - [ -0.0001274200000000, -0.0000096900000000, 0.0000326900000000 ] - [ 0.0003686000000000, 0.0035489200000000, -0.0004021000000000 ] - [ -0.0018641900000000, 0.0035142600000000, -0.0013887800000000 ] - [ -0.0003484700000000, 0.0028717500000000, 0.0005760200000000 ] - [ 0.0005434100000000, 0.0004346900000000, 0.0001487500000000 ] - [ 0.0000489500000000, 0.0001137500000000, 0.0006673800000000 ] - [ 0.0001769000000000, 0.0001039500000000, 0.0008277800000000 ] - [ 0.0001431000000000, 0.0000219800000000, -0.0000566500000000 ] - [ 0.0001538700000000, -0.0000002400000000, -0.0001573100000000 ] - [ -0.0045828600000000, 0.0004727700000000, -0.0040573700000000 ] - [ 0.0019182600000000, -0.0015893400000000, -0.0031849300000000 ] - [ -0.0003839900000000, -0.0006136600000000, 0.0003532500000000 ] - [ 0.0001674800000000, -0.0002113700000000, 0.0002510000000000 ] - [ -0.0177826800000000, 0.0013945200000000, -0.0067806500000000 ] - [ -0.0006302200000000, -0.0016543700000000, 0.0003007900000000 ] - [ -0.0000526300000000, 0.0002352400000000, 0.0019191900000000 ] - [ -0.0010581600000000, -0.0001121800000000, 0.0007476100000000 ] - [ 0.0008678500000000, 0.0001258500000000, -0.0002060800000000 ] - [ 0.0007566500000000, 0.0001045300000000, -0.0001156700000000 ] - [ 0.0006384800000000, -0.0000666500000000, -0.0003125500000000 ] - [ 0.0006783700000000, -0.0000686600000000, -0.0002870900000000 ] - [ -0.0053966500000000, -0.0059284200000000, -0.0113476200000000 ] - [ -0.0009563900000000, -0.0008061700000000, -0.0002903000000000 ] - [ 0.0003755200000000, 0.0005188800000000, 0.0024914100000000 ] - [ -0.0041705700000000, 0.0036492600000000, 0.0069692300000000 ] - [ 0.0005836700000000, -0.0003172600000000, 0.0000836700000000 ] - [ 0.0005463000000000, -0.0003347400000000, 0.0001317200000000 ] - [ 0.0005164500000000, 0.0004417600000000, -0.0009884900000000 ] - [ 0.0005146200000000, 0.0004374700000000, -0.0009260400000000 ] - [ -0.0061377200000000, 0.0481813400000000, -0.0152542000000000 ] - [ -0.0014050500000000, 0.0005591000000000, 0.0005253900000000 ] - [ -0.0001799700000000, -0.0000171700000000, 0.0000752100000000 ] - [ -0.0003852200000000, 0.0010956900000000, 0.0014882800000000 ] - [ -0.0001424000000000, 0.0008700900000000, -0.0006065700000000 ] - [ -0.0002266500000000, 0.0008553000000000, -0.0005997100000000 ] - [ -0.0000563100000000, -0.0007416800000000, 0.0001250000000000 ] - [ -0.0001010600000000, -0.0007564500000000, 0.0001665500000000 ] - [ 0.1245106700000000, -0.3206975100000000, 0.1437325400000000 ] - [ -0.0005862500000000, -0.0019640800000000, 0.0009550200000000 ] - [ -0.0008708900000000, -0.0003398500000000, 0.0001364000000000 ] - [ -0.0005836200000000, -0.0003420600000000, 0.0012864200000000 ] - [ 0.0002266200000000, -0.0007954300000000, -0.0005673000000000 ] - [ 0.0001347100000000, -0.0008218300000000, -0.0005904300000000 ] - [ 0.0002949300000000, 0.0007318400000000, 0.0000539100000000 ] - [ 0.0002444200000000, 0.0007453400000000, 0.0000985000000000 ] - [ 0.0003305900000000, -0.0000383400000000, -0.0013056900000000 ] - [ -0.0000323200000000, -0.0001496100000000, -0.0004170000000000 ] - [ 0.0039718400000000, 0.0035842500000000, -0.0023024200000000 ] - [ -0.0020981700000000, 0.0027077900000000, -0.0017876100000000 ] - [ -0.0001759900000000, -0.0001115200000000, -0.0000645200000000 ] - [ -0.0001941400000000, -0.0000999200000000, 0.0000360500000000 ] - [ -0.0001108300000000, 0.0000127100000000, -0.0003828900000000 ] - [ -0.0000374400000000, 0.0002116300000000, 0.0000043600000000 ] - [ -0.0001129200000000, -0.0007006800000000, -0.0001436400000000 ] - [ 0.0001596100000000, -0.0004853900000000, 0.0000308300000000 ] - [ 0.0000937600000000, 0.0001194300000000, -0.0000459800000000 ] - [ 0.0000739500000000, 0.0001274500000000, 0.0000486200000000 ] - [ -0.0005482900000000, 0.0028365000000000, 0.0011728500000000 ] - [ -0.0003886400000000, 0.0026656700000000, 0.0015286700000000 ] - [ -0.0000485100000000, 0.0003607700000000, -0.0007604400000000 ] - [ -0.0003199800000000, 0.0002032500000000, -0.0004356700000000 ] - [ 0.0009974800000000, -0.0004822600000000, -0.0000983200000000 ] - [ 0.0005165500000000, -0.0002051700000000, -0.0001569200000000 ] - [ 0.0006717000000000, 0.0001175500000000, 0.0001291200000000 ] - [ 0.0004821000000000, 0.0001205900000000, 0.0001502400000000 ] - [ -0.0022358300000000, 0.0026519800000000, -0.0009368300000000 ] - [ 0.0002732300000000, 0.0012477400000000, 0.0000012900000000 ] - [ -0.0005954400000000, 0.0001905600000000, -0.0007090600000000 ] - [ -0.0005306900000000, 0.0001056800000000, -0.0004533500000000 ] - [ 0.0004896400000000, -0.0016716800000000, 0.0014691700000000 ] - [ 0.0001851600000000, -0.0005530900000000, 0.0013729500000000 ] - [ 0.0003097800000000, 0.0002954100000000, -0.0004317300000000 ] - [ 0.0001513400000000, 0.0003001800000000, -0.0002020300000000 ] - [ -0.0001159200000000, 0.0007225600000000, -0.0006085900000000 ] - [ -0.0008724400000000, 0.0003882200000000, -0.0011401700000000 ] - [ -0.0000076600000000, 0.0003401600000000, -0.0006011500000000 ] - [ -0.0001380900000000, 0.0002655100000000, -0.0001581700000000 ] - [ 0.0000851200000000, 0.0002478400000000, 0.0003105900000000 ] - [ -0.0001726200000000, 0.0003200100000000, 0.0000596900000000 ] - [ -0.0000966600000000, -0.0000693700000000, 0.0000831900000000 ] - [ 0.0000894200000000, -0.0000449200000000, 0.0001438700000000 ] - [ -0.0001179900000000, -0.0006702700000000, -0.0003838500000000 ] - [ 0.0001675000000000, -0.0003685700000000, 0.0001123000000000 ] - [ -0.0008672000000000, 0.0014922000000000, 0.0030020500000000 ] - [ 0.0003584300000000, 0.0004310800000000, -0.0001773900000000 ] - [ 0.0003088700000000, 0.0004992400000000, -0.0000416600000000 ] - [ -0.0007452200000000, 0.0002894800000000, -0.0011369000000000 ] - [ 0.0000354900000000, -0.0004690900000000, 0.0016640700000000 ] - [ 0.0000363400000000, 0.0000527800000000, 0.0005832800000000 ] - [ -0.0001327300000000, 0.0000550500000000, 0.0004391000000000 ] - [ 0.0001193200000000, 0.0000368600000000, 0.0001523100000000 ] - [ -0.0005588300000000, -0.0060552700000000, 0.0010067100000000 ] - [ 0.0028813700000000, -0.0056488600000000, 0.0013544900000000 ] - [ -0.0000980500000000, -0.0000041900000000, 0.0003129200000000 ] - [ -0.0001889900000000, -0.0000065500000000, 0.0003905700000000 ] - [ -0.0002605500000000, -0.0001354400000000, 0.0010161100000000 ] - [ -0.0000551800000000, -0.0000698900000000, 0.0009441300000000 ] - [ 0.0000741900000000, -0.0010661000000000, -0.0079857200000000 ] - [ 0.0010441800000000, 0.0001826600000000, -0.0028559100000000 ] - [ -0.0907688000000000, 0.2655986600000000, -0.1110860500000000 ] - [ 0.0017186900000000, 0.0016789200000000, -0.0008273600000000 ] - [ 0.0004369700000000, -0.0030140300000000, -0.0002030800000000 ] - [ 0.0004407900000000, -0.0004484200000000, -0.0005703900000000 ] - [ -0.0017363600000000, -0.0000068800000000, 0.0013565800000000 ] - [ 0.0014064600000000, -0.0005862000000000, 0.0017898600000000 ] - [ 0.0000665900000000, 0.0001966600000000, 0.0003954900000000 ] - [ 0.0001652800000000, 0.0001759400000000, 0.0003461100000000 ] - [ 0.0001423800000000, -0.0001251900000000, 0.0000681100000000 ] - [ 0.0001163800000000, -0.0001259400000000, 0.0000698900000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001060200000000, 0.0000675000000000, 0.0000028800000000 ] - [ -0.0001423100000000, 0.0000523900000000, -0.0000867700000000 ] - [ -0.0001186300000000, 0.0000798400000000, -0.0004212600000000 ] - [ -0.0001340200000000, 0.0000738400000000, -0.0003675600000000 ] - [ -0.0000545500000000, -0.0036431100000000, 0.0000994400000000 ] - [ 0.0021164100000000, -0.0035954600000000, 0.0010476900000000 ] - [ 0.0006075500000000, -0.0028257700000000, -0.0002468700000000 ] - [ -0.0002829900000000, -0.0003743000000000, 0.0001857900000000 ] - [ 0.0002258600000000, -0.0000736600000000, 0.0000767200000000 ] - [ 0.0000987200000000, -0.0000653800000000, -0.0000823400000000 ] - [ 0.0001356200000000, -0.0000651900000000, -0.0006902200000000 ] - [ 0.0001249000000000, -0.0000436500000000, -0.0005882800000000 ] - [ 0.0042956200000000, -0.0003691500000000, 0.0032920300000000 ] - [ -0.0021940600000000, 0.0016406000000000, 0.0024437200000000 ] - [ 0.0001055000000000, 0.0005757000000000, 0.0003986200000000 ] - [ -0.0004464100000000, 0.0001717500000000, 0.0004978400000000 ] - [ 0.0161152800000000, -0.0013500300000000, 0.0065220100000000 ] - [ -0.0008674800000000, 0.0018107300000000, -0.0004643100000000 ] - [ -0.0013904600000000, -0.0003973800000000, -0.0017574800000000 ] - [ -0.0004013200000000, -0.0000547500000000, -0.0005815600000000 ] - [ 0.0005873500000000, 0.0000426400000000, 0.0003784000000000 ] - [ 0.0006970700000000, 0.0000634300000000, 0.0002873300000000 ] - [ 0.0008112300000000, -0.0001019800000000, 0.0001395800000000 ] - [ 0.0007774100000000, -0.0000998500000000, 0.0001159700000000 ] - [ 0.0043165400000000, 0.0048971000000000, 0.0102712300000000 ] - [ -0.0001239900000000, 0.0000329000000000, -0.0008035600000000 ] - [ -0.0014620600000000, 0.0002614000000000, -0.0014010700000000 ] - [ 0.0031341500000000, -0.0028653100000000, -0.0058921200000000 ] - [ 0.0004904600000000, -0.0004593600000000, 0.0010212700000000 ] - [ 0.0005269300000000, -0.0004426000000000, 0.0009752300000000 ] - [ 0.0005558200000000, 0.0003354300000000, -0.0001215900000000 ] - [ 0.0005596000000000, 0.0003386200000000, -0.0001793700000000 ] - [ 0.0063450100000000, -0.0450287200000000, 0.0155668700000000 ] - [ 0.0016483400000000, 0.0010278900000000, 0.0001817500000000 ] - [ 0.0004313900000000, -0.0015785300000000, -0.0007901300000000 ] - [ 0.0006435800000000, -0.0026933700000000, -0.0022028500000000 ] - [ -0.0001121200000000, 0.0007268700000000, -0.0001009500000000 ] - [ -0.0000277700000000, 0.0007391800000000, -0.0001081500000000 ] - [ -0.0001979300000000, -0.0008514100000000, 0.0005824800000000 ] - [ -0.0001509300000000, -0.0008358400000000, 0.0005399200000000 ] - [ -0.1177000000000000, 0.3064670400000000, -0.1342791800000000 ] - [ 0.0001210900000000, 0.0003891800000000, -0.0003167600000000 ] - [ 0.0004176700000000, 0.0019321600000000, -0.0007813100000000 ] - [ 0.0001277500000000, 0.0019314000000000, -0.0019275000000000 ] - [ 0.0002288000000000, -0.0007934200000000, -0.0000745800000000 ] - [ 0.0003221500000000, -0.0007621500000000, -0.0000493000000000 ] - [ 0.0001625300000000, 0.0008479100000000, 0.0005841000000000 ] - [ 0.0002127300000000, 0.0008378300000000, 0.0005415000000000 ] - [ -0.0000082000000000, -0.0001323800000000, 0.0009644000000000 ] - [ 0.0003542800000000, -0.0000152100000000, 0.0000680900000000 ] - [ -0.0036684900000000, -0.0034020500000000, 0.0026641900000000 ] - [ 0.0024405500000000, -0.0025311300000000, 0.0021358400000000 ] - [ -0.0001457100000000, -0.0000531200000000, 0.0004145300000000 ] - [ -0.0001286000000000, -0.0000678900000000, 0.0003111000000000 ] - [ -0.0002093600000000, 0.0001421900000000, 0.0000166900000000 ] - [ -0.0002812600000000, -0.0000501000000000, -0.0003554400000000 ] - [ 0.0003273000000000, 0.0004213300000000, -0.0001833600000000 ] - [ 0.0000581800000000, 0.0002026300000000, -0.0003511300000000 ] - [ 0.0001226100000000, 0.0001637900000000, 0.0003667300000000 ] - [ 0.0001436800000000, 0.0001547800000000, 0.0002721400000000 ] - [ 0.0003203700000000, -0.0031226200000000, -0.0008412000000000 ] - [ 0.0001821800000000, -0.0029501700000000, -0.0012008000000000 ] - [ -0.0001660900000000, -0.0000740000000000, 0.0004447200000000 ] - [ 0.0001042800000000, 0.0000793300000000, 0.0001152800000000 ] - [ 0.0001969400000000, 0.0002249500000000, -0.0003981500000000 ] - [ 0.0006539300000000, -0.0000484500000000, -0.0003427200000000 ] - [ 0.0005133000000000, 0.0001376900000000, 0.0003625200000000 ] - [ 0.0007039500000000, 0.0001354100000000, 0.0003408300000000 ] - [ 0.0010668900000000, -0.0029114800000000, 0.0014467600000000 ] - [ -0.0014739000000000, -0.0015042500000000, 0.0004950800000000 ] - [ -0.0005912400000000, 0.0000634100000000, 0.0002176600000000 ] - [ -0.0006547500000000, 0.0001492200000000, -0.0000387300000000 ] - [ -0.0000972300000000, 0.0010779200000000, -0.0011128100000000 ] - [ 0.0002276600000000, -0.0000297600000000, -0.0009805200000000 ] - [ 0.0001028700000000, 0.0002868500000000, 0.0000288800000000 ] - [ 0.0002596200000000, 0.0002830000000000, -0.0001963900000000 ] - [ -0.0002934800000000, -0.0013037000000000, 0.0002248300000000 ] - [ 0.0004685700000000, -0.0009675500000000, 0.0007574700000000 ] - [ -0.0004019800000000, 0.0002399200000000, 0.0009925200000000 ] - [ -0.0002718500000000, 0.0003162100000000, 0.0005519600000000 ] - [ -0.0001191400000000, -0.0001037500000000, -0.0001177500000000 ] - [ 0.0001392200000000, -0.0001757700000000, 0.0001324200000000 ] - [ 0.0001314600000000, 0.0002152700000000, -0.0002729800000000 ] - [ -0.0000553700000000, 0.0001908000000000, -0.0003337700000000 ] - [ 0.0001504100000000, 0.0005326700000000, 0.0005697200000000 ] - [ -0.0001339100000000, 0.0002279500000000, 0.0000791500000000 ] - [ 0.0008360400000000, -0.0016745300000000, -0.0031639500000000 ] - [ -0.0003902600000000, -0.0005817500000000, -0.0000166700000000 ] - [ -0.0003618900000000, -0.0005169300000000, 0.0001031100000000 ] - [ 0.0006639800000000, -0.0002992300000000, 0.0011593100000000 ] - [ 0.0000325600000000, 0.0004843700000000, -0.0016516100000000 ] - [ 0.0000332000000000, -0.0000422700000000, -0.0005646500000000 ] - [ 0.0000622200000000, -0.0000452500000000, -0.0004528800000000 ] - [ -0.0001897700000000, -0.0000262400000000, -0.0001662000000000 ] - [ 0.0006366300000000, 0.0060336800000000, -0.0010394800000000 ] - [ -0.0028428200000000, 0.0056283800000000, -0.0013889600000000 ] - [ -0.0001937000000000, 0.0000449400000000, -0.0008716000000000 ] - [ -0.0001030300000000, 0.0000478500000000, -0.0009478000000000 ] - [ -0.0000312700000000, 0.0000942000000000, -0.0004545400000000 ] - [ -0.0002359500000000, 0.0000284300000000, -0.0003835600000000 ] - [ 0.0002031100000000, 0.0010916800000000, 0.0085622700000000 ] - [ -0.0007463100000000, -0.0001502100000000, 0.0034422100000000 ] - [ 0.0841095300000000, -0.2537879300000000, 0.1021981500000000 ] - [ -0.0013879100000000, -0.0017325000000000, 0.0002567200000000 ] - [ -0.0007279400000000, 0.0029874400000000, -0.0001783800000000 ] - [ -0.0006847200000000, 0.0007425200000000, 0.0002431100000000 ] - [ 0.0014974600000000, -0.0002744500000000, -0.0010289300000000 ] - [ -0.0016537100000000, 0.0002949500000000, -0.0014654100000000 ] - [ 0.0001742400000000, 0.0000978500000000, -0.0000656800000000 ] - [ 0.0000772600000000, 0.0001182300000000, -0.0000173500000000 ] - [ 0.0000997200000000, -0.0001693800000000, -0.0003952900000000 ] - [ 0.0001256300000000, -0.0001687200000000, -0.0003970000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001049900000000, 0.0000072100000000, -0.0004162000000000 ] - [ -0.0002869300000000, -0.0001550800000000, -0.0006921200000000 ] - [ -0.0000836800000000, 0.0000998600000000, -0.0009580000000000 ] - [ -0.0001122100000000, 0.0000777400000000, -0.0008334400000000 ] - [ -0.0028443700000000, 0.0003653900000000, 0.0049664800000000 ] - [ 0.0009069900000000, -0.0008505500000000, 0.0022502400000000 ] - [ -0.0000962400000000, -0.0036017600000000, -0.0032508400000000 ] - [ 0.0002138300000000, 0.0001897900000000, 0.0004181200000000 ] - [ 0.0002374600000000, 0.0001329500000000, -0.0001560500000000 ] - [ -0.0000762200000000, 0.0003472600000000, -0.0003538000000000 ] - [ 0.0001400600000000, -0.0000493300000000, -0.0012895900000000 ] - [ 0.0001372300000000, 0.0000101700000000, -0.0010545200000000 ] - [ -0.0007050400000000, -0.0020781400000000, 0.0017698700000000 ] - [ -0.0005187500000000, 0.0005118900000000, 0.0016185700000000 ] - [ -0.0003133600000000, 0.0003830200000000, -0.0001077100000000 ] - [ -0.0000907200000000, 0.0000516700000000, 0.0001091900000000 ] - [ -0.0000666100000000, -0.0012287000000000, -0.0154197500000000 ] - [ 0.0002443600000000, 0.0004005800000000, -0.0021363200000000 ] - [ -0.0021270300000000, 0.0006981900000000, -0.0002360700000000 ] - [ 0.0000677200000000, 0.0000625400000000, -0.0004311500000000 ] - [ 0.0004291000000000, 0.0000206700000000, 0.0008266500000000 ] - [ 0.0006513100000000, 0.0000437300000000, 0.0006505200000000 ] - [ 0.0009783400000000, -0.0001313200000000, 0.0006502200000000 ] - [ 0.0009301600000000, -0.0001297200000000, 0.0006222700000000 ] - [ 0.0158152400000000, -0.0342012600000000, 0.0299726700000000 ] - [ -0.0001568000000000, -0.0005197000000000, -0.0028952600000000 ] - [ -0.0000630900000000, 0.0006597000000000, -0.0014304700000000 ] - [ -0.0021706500000000, 0.0014439800000000, -0.0012228800000000 ] - [ 0.0004451500000000, -0.0005508500000000, 0.0019585400000000 ] - [ 0.0005151100000000, -0.0005259800000000, 0.0018353000000000 ] - [ 0.0006203700000000, 0.0002418300000000, 0.0010096000000000 ] - [ 0.0006038500000000, 0.0002581100000000, 0.0007762100000000 ] - [ 0.0009466600000000, 0.0026676500000000, -0.0154393100000000 ] - [ 0.0005593100000000, 0.0007178500000000, -0.0005697500000000 ] - [ 0.0006150400000000, -0.0010991400000000, -0.0008867100000000 ] - [ -0.0003885400000000, -0.0007697500000000, -0.0006212200000000 ] - [ -0.0000789900000000, 0.0005543100000000, 0.0003016800000000 ] - [ 0.0001113200000000, 0.0005512000000000, 0.0002744900000000 ] - [ -0.0003376400000000, -0.0010171000000000, 0.0011122600000000 ] - [ -0.0002320500000000, -0.0009701200000000, 0.0009837100000000 ] - [ -0.0660228900000000, 0.1359497200000000, -0.1604369400000000 ] - [ -0.0001444600000000, -0.0001507700000000, -0.0010163600000000 ] - [ 0.0012931700000000, 0.0023926600000000, -0.0006873900000000 ] - [ -0.0008497900000000, 0.0012451100000000, -0.0006858900000000 ] - [ 0.0002351900000000, -0.0005458100000000, 0.0004137800000000 ] - [ 0.0004611600000000, -0.0005192700000000, 0.0003967000000000 ] - [ 0.0000206600000000, 0.0010550600000000, 0.0012058700000000 ] - [ 0.0001353700000000, 0.0010127300000000, 0.0010666200000000 ] - [ 0.0000666500000000, -0.0006838700000000, 0.0024300000000000 ] - [ 0.0003052700000000, -0.0001706600000000, 0.0002238200000000 ] - [ -0.0029579500000000, -0.0030587100000000, 0.0010580100000000 ] - [ 0.0020397800000000, -0.0015312600000000, 0.0002687000000000 ] - [ -0.0000409900000000, 0.0002015400000000, 0.0010794000000000 ] - [ -0.0000756200000000, 0.0001741800000000, 0.0009217200000000 ] - [ -0.0001799000000000, 0.0013122600000000, 0.0023187300000000 ] - [ -0.0006522400000000, 0.0004045800000000, 0.0001689800000000 ] - [ 0.0004469200000000, -0.0006779100000000, 0.0014432300000000 ] - [ -0.0002925700000000, -0.0002571000000000, 0.0000697600000000 ] - [ 0.0002210400000000, -0.0000026400000000, 0.0009351600000000 ] - [ 0.0001839500000000, -0.0000203100000000, 0.0007954700000000 ] - [ 0.0000498700000000, -0.0018352300000000, -0.0008802100000000 ] - [ 0.0006008100000000, -0.0013000900000000, -0.0009953000000000 ] - [ -0.0001057400000000, -0.0000922400000000, 0.0012069100000000 ] - [ 0.0000241900000000, 0.0002200200000000, 0.0003257300000000 ] - [ -0.0009894800000000, 0.0003026500000000, 0.0004559400000000 ] - [ 0.0024379900000000, -0.0002079200000000, 0.0008560900000000 ] - [ 0.0005424300000000, 0.0001693400000000, 0.0008479100000000 ] - [ 0.0006640800000000, 0.0001559000000000, 0.0007357000000000 ] - [ 0.0008881600000000, -0.0019116500000000, 0.0005761200000000 ] - [ -0.0016162200000000, -0.0010437900000000, 0.0002942700000000 ] - [ -0.0001457300000000, -0.0000664000000000, 0.0007106600000000 ] - [ -0.0009261700000000, 0.0001261300000000, 0.0002468200000000 ] - [ 0.0039853700000000, 0.0022894700000000, 0.0066286600000000 ] - [ -0.0002145200000000, -0.0000905100000000, -0.0005760900000000 ] - [ 0.0000417000000000, 0.0002690100000000, 0.0009734100000000 ] - [ -0.0000197500000000, 0.0002626800000000, 0.0007005400000000 ] - [ -0.0005299800000000, -0.0009777000000000, -0.0000431800000000 ] - [ 0.0002959300000000, -0.0005773700000000, 0.0002612900000000 ] - [ -0.0005536700000000, 0.0001655700000000, 0.0021944500000000 ] - [ -0.0004108100000000, 0.0003568900000000, 0.0011510100000000 ] - [ -0.0002670100000000, -0.0001582600000000, -0.0004960100000000 ] - [ 0.0003184800000000, -0.0001752100000000, -0.0004825700000000 ] - [ 0.0002471200000000, 0.0002436900000000, -0.0007836400000000 ] - [ -0.0001514800000000, 0.0002382300000000, -0.0007370500000000 ] - [ 0.0004528600000000, -0.0003408700000000, -0.0001063600000000 ] - [ -0.0002687200000000, -0.0001570500000000, 0.0000421700000000 ] - [ 0.0002037900000000, 0.0007797600000000, 0.0001385200000000 ] - [ -0.0004472300000000, -0.0001592200000000, 0.0003382300000000 ] - [ -0.0025510700000000, 0.0004126200000000, -0.0059536000000000 ] - [ 0.0023664300000000, -0.0002764800000000, 0.0001076900000000 ] - [ -0.0005197400000000, 0.0012112500000000, -0.0040515100000000 ] - [ 0.0004442400000000, -0.0000804700000000, -0.0013114100000000 ] - [ 0.0000211000000000, -0.0001155100000000, -0.0019926000000000 ] - [ -0.0000832700000000, -0.0000750500000000, -0.0015739800000000 ] - [ 0.0008202700000000, 0.0039601600000000, -0.0004742500000000 ] - [ -0.0024292000000000, 0.0027007200000000, -0.0002327100000000 ] - [ -0.0002274100000000, 0.0000841900000000, -0.0023271300000000 ] - [ -0.0000450700000000, 0.0000928300000000, -0.0026156400000000 ] - [ 0.0000237300000000, 0.0001182200000000, -0.0018522600000000 ] - [ -0.0003712500000000, 0.0000611300000000, -0.0016444600000000 ] - [ 0.0023116100000000, -0.0006828200000000, 0.0020021500000000 ] - [ -0.0017615700000000, -0.0011536600000000, 0.0030827400000000 ] - [ 0.0499797200000000, -0.1047228000000000, 0.1480288000000000 ] - [ -0.0008793400000000, -0.0003606200000000, 0.0031185900000000 ] - [ 0.0002506900000000, 0.0026003300000000, 0.0027868500000000 ] - [ -0.0003313300000000, 0.0001857800000000, 0.0013685300000000 ] - [ 0.0023451200000000, 0.0006477400000000, -0.0002004000000000 ] - [ -0.0024792200000000, 0.0003924300000000, -0.0002508200000000 ] - [ 0.0003267700000000, 0.0000743200000000, -0.0007767400000000 ] - [ -0.0000027100000000, 0.0000919800000000, -0.0006196300000000 ] - [ 0.0000660200000000, -0.0002016900000000, -0.0009267900000000 ] - [ 0.0001117200000000, -0.0001987500000000, -0.0009502100000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001570100000000, -0.0000717800000000, 0.0007500400000000 ] - [ 0.0000240500000000, 0.0000898700000000, 0.0010241100000000 ] - [ -0.0001768500000000, -0.0000354800000000, 0.0006223800000000 ] - [ -0.0001487700000000, -0.0000131600000000, 0.0004972600000000 ] - [ 0.0029952400000000, -0.0004451800000000, -0.0052355000000000 ] - [ -0.0006600500000000, 0.0007633300000000, -0.0025705000000000 ] - [ 0.0003546000000000, 0.0036954900000000, 0.0035902800000000 ] - [ 0.0000472200000000, -0.0001246300000000, -0.0000890500000000 ] - [ 0.0000383100000000, -0.0000889100000000, 0.0009023900000000 ] - [ 0.0003497400000000, -0.0003019200000000, 0.0011000000000000 ] - [ 0.0001395300000000, 0.0000066600000000, 0.0005424600000000 ] - [ 0.0001420600000000, -0.0000537900000000, 0.0003066000000000 ] - [ 0.0004484000000000, 0.0021114200000000, -0.0024803700000000 ] - [ 0.0002287300000000, -0.0004601400000000, -0.0023329900000000 ] - [ 0.0000341400000000, -0.0004278100000000, 0.0008493800000000 ] - [ -0.0001874100000000, -0.0000937200000000, 0.0006328200000000 ] - [ -0.0012920000000000, 0.0012824200000000, 0.0153920700000000 ] - [ -0.0017178300000000, -0.0002278200000000, 0.0019647200000000 ] - [ 0.0006772500000000, -0.0008684700000000, 0.0004169900000000 ] - [ -0.0015239800000000, -0.0002323700000000, 0.0006097400000000 ] - [ 0.0010256900000000, 0.0001487700000000, -0.0006531400000000 ] - [ 0.0008046300000000, 0.0001254500000000, -0.0004789900000000 ] - [ 0.0004717400000000, -0.0000379200000000, -0.0008231300000000 ] - [ 0.0005285700000000, -0.0000396200000000, -0.0007921700000000 ] - [ -0.0172647900000000, 0.0342714900000000, -0.0321860400000000 ] - [ -0.0009168000000000, -0.0002546200000000, 0.0018046300000000 ] - [ -0.0010056500000000, 0.0001215300000000, 0.0025504000000000 ] - [ 0.0011000700000000, -0.0006691400000000, 0.0023357200000000 ] - [ 0.0006282100000000, -0.0002253400000000, -0.0008536400000000 ] - [ 0.0005581800000000, -0.0002506200000000, -0.0007290000000000 ] - [ 0.0004521300000000, 0.0005348200000000, -0.0021136400000000 ] - [ 0.0004695300000000, 0.0005178600000000, -0.0018781000000000 ] - [ -0.0006325600000000, -0.0012936800000000, 0.0162947000000000 ] - [ -0.0002960900000000, 0.0008753900000000, 0.0012753000000000 ] - [ -0.0003620900000000, -0.0004951100000000, 0.0001883000000000 ] - [ 0.0006416900000000, -0.0008203900000000, -0.0000773700000000 ] - [ -0.0001763100000000, 0.0010402800000000, -0.0010071800000000 ] - [ -0.0003645400000000, 0.0010412700000000, -0.0009803300000000 ] - [ 0.0000834600000000, -0.0005758600000000, -0.0004054800000000 ] - [ -0.0000205800000000, -0.0006218500000000, -0.0002781500000000 ] - [ 0.0679425200000000, -0.1419322500000000, 0.1623256500000000 ] - [ -0.0003103300000000, -0.0014235500000000, 0.0016500200000000 ] - [ -0.0017558800000000, -0.0008196400000000, 0.0000569900000000 ] - [ 0.0003910200000000, 0.0003272200000000, 0.0000591400000000 ] - [ 0.0002183900000000, -0.0010398700000000, -0.0010541300000000 ] - [ -0.0000036500000000, -0.0010614600000000, -0.0010346800000000 ] - [ 0.0004359100000000, 0.0005251300000000, -0.0005677800000000 ] - [ 0.0003202400000000, 0.0005702700000000, -0.0004270700000000 ] - [ 0.0002585700000000, 0.0005121200000000, -0.0027848600000000 ] - [ 0.0000158400000000, 0.0000026700000000, -0.0005677300000000 ] - [ 0.0032580500000000, 0.0032134300000000, -0.0007193600000000 ] - [ -0.0017017300000000, 0.0016909300000000, 0.0000758400000000 ] - [ -0.0002797100000000, -0.0003647400000000, -0.0007290700000000 ] - [ -0.0002458300000000, -0.0003406600000000, -0.0005732700000000 ] - [ -0.0001410700000000, -0.0011370100000000, -0.0026512200000000 ] - [ 0.0003279600000000, -0.0002379700000000, -0.0005202200000000 ] - [ -0.0002271600000000, 0.0003875300000000, -0.0017546500000000 ] - [ 0.0005069100000000, -0.0000288900000000, -0.0003912100000000 ] - [ -0.0000033300000000, 0.0002848900000000, -0.0006141000000000 ] - [ 0.0000352700000000, 0.0003021800000000, -0.0004736800000000 ] - [ -0.0002607400000000, 0.0015276500000000, 0.0011832100000000 ] - [ -0.0008162900000000, 0.0010021300000000, 0.0013003600000000 ] - [ -0.0001077300000000, 0.0003875300000000, -0.0015265500000000 ] - [ -0.0002415500000000, 0.0000662200000000, -0.0006422400000000 ] - [ 0.0021594400000000, -0.0005541300000000, -0.0009436700000000 ] - [ -0.0012411000000000, -0.0000495500000000, -0.0013407800000000 ] - [ 0.0006400900000000, 0.0000868200000000, -0.0003552900000000 ] - [ 0.0005185000000000, 0.0001010200000000, -0.0002431600000000 ] - [ -0.0020646100000000, 0.0016414700000000, -0.0000855500000000 ] - [ 0.0004250900000000, 0.0007794500000000, 0.0001949600000000 ] - [ -0.0010417700000000, 0.0003226700000000, -0.0012045100000000 ] - [ -0.0002546700000000, 0.0001295600000000, -0.0007364800000000 ] - [ -0.0035237200000000, -0.0028263700000000, -0.0061672300000000 ] - [ 0.0006214000000000, -0.0004894000000000, 0.0009536200000000 ] - [ 0.0003703600000000, 0.0003133500000000, -0.0013697400000000 ] - [ 0.0004302700000000, 0.0003206100000000, -0.0010912000000000 ] - [ 0.0001150900000000, 0.0003886700000000, -0.0003587500000000 ] - [ -0.0007059700000000, -0.0000078800000000, -0.0006595800000000 ] - [ 0.0001443200000000, 0.0004169400000000, -0.0018088800000000 ] - [ -0.0000007600000000, 0.0002258700000000, -0.0007544700000000 ] - [ 0.0002348600000000, 0.0003052800000000, 0.0006841100000000 ] - [ -0.0003543000000000, 0.0003224100000000, 0.0006698500000000 ] - [ -0.0002139700000000, -0.0000981000000000, 0.0005938600000000 ] - [ 0.0001869000000000, -0.0000930600000000, 0.0005460800000000 ] - [ -0.0004169700000000, 0.0001925800000000, 0.0003039900000000 ] - [ 0.0003000400000000, 0.0000104500000000, 0.0001555400000000 ] - [ -0.0003070500000000, -0.0009715900000000, -0.0000114400000000 ] - [ 0.0004117000000000, 0.0000145500000000, -0.0005262100000000 ] - [ 0.0024728600000000, -0.0004157700000000, 0.0059502300000000 ] - [ -0.0024127800000000, 0.0002641500000000, -0.0000763500000000 ] - [ 0.0005894900000000, -0.0012062500000000, 0.0040814200000000 ] - [ -0.0003771600000000, 0.0000915300000000, 0.0013215400000000 ] - [ -0.0000900400000000, 0.0001261700000000, 0.0019717100000000 ] - [ 0.0000151000000000, 0.0000859100000000, 0.0015507700000000 ] - [ -0.0007537000000000, -0.0039446200000000, 0.0004701700000000 ] - [ 0.0024854400000000, -0.0026905700000000, 0.0002243100000000 ] - [ -0.0000631500000000, -0.0000429000000000, 0.0017645500000000 ] - [ -0.0002489400000000, -0.0000508600000000, 0.0020517500000000 ] - [ -0.0003146100000000, -0.0001590000000000, 0.0024105100000000 ] - [ 0.0000770200000000, -0.0001029600000000, 0.0022025700000000 ] - [ -0.0020198600000000, 0.0007261300000000, -0.0014717500000000 ] - [ 0.0020575600000000, 0.0012015200000000, -0.0025532500000000 ] - [ -0.0516959300000000, 0.1085904000000000, -0.1495156900000000 ] - [ 0.0011765600000000, 0.0003049300000000, -0.0036941100000000 ] - [ -0.0004897300000000, -0.0022790700000000, -0.0030931100000000 ] - [ 0.0000884000000000, 0.0001102800000000, -0.0016934600000000 ] - [ -0.0025990000000000, -0.0009467100000000, 0.0005175500000000 ] - [ 0.0022469500000000, -0.0006884000000000, 0.0005644400000000 ] - [ -0.0000835300000000, 0.0002198100000000, 0.0011024700000000 ] - [ 0.0002437100000000, 0.0002023500000000, 0.0009463500000000 ] - [ 0.0001766300000000, -0.0000926600000000, 0.0005971500000000 ] - [ 0.0001299700000000, -0.0000955900000000, 0.0006203000000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001421900000000, 0.0000101500000000, 0.0000280000000000 ] - [ -0.0001281900000000, -0.0000482800000000, 0.0000977700000000 ] - [ 0.0001553400000000, -0.0000472100000000, -0.0002783200000000 ] - [ -0.0003635000000000, 0.0001077300000000, -0.0001892600000000 ] - [ 0.0001993600000000, -0.0001581500000000, -0.0006105500000000 ] - [ 0.0000596400000000, 0.0001321300000000, 0.0000506700000000 ] - [ 0.0076814800000000, 0.0043986200000000, -0.0074802500000000 ] - [ -0.0013348900000000, 0.0000638400000000, 0.0002106600000000 ] - [ 0.0001291100000000, 0.0000251300000000, 0.0002796500000000 ] - [ 0.0001440700000000, 0.0000275000000000, 0.0002634700000000 ] - [ 0.0009974300000000, 0.0001483400000000, -0.0004650000000000 ] - [ -0.0002970000000000, -0.0001636100000000, -0.0003637200000000 ] - [ -0.0000687900000000, 0.0000239100000000, -0.0005886000000000 ] - [ -0.0001902200000000, -0.0000057200000000, -0.0003975100000000 ] - [ 0.0010560400000000, 0.0007249200000000, 0.0010367800000000 ] - [ -0.0010706500000000, 0.0001066500000000, 0.0005641600000000 ] - [ -0.0013415500000000, 0.0001102400000000, 0.0000030900000000 ] - [ -0.0001449600000000, 0.0000350800000000, 0.0002003700000000 ] - [ -0.0020932500000000, -0.0011129600000000, 0.0007118800000000 ] - [ 0.0008899900000000, 0.0002631000000000, -0.0000534400000000 ] - [ 0.0006066100000000, 0.0000731800000000, 0.0001922400000000 ] - [ 0.0007894300000000, 0.0000764100000000, 0.0001624700000000 ] - [ 0.0005412200000000, -0.0000881900000000, 0.0001936200000000 ] - [ 0.0008513900000000, -0.0000460900000000, -0.0001079800000000 ] - [ -0.0018031100000000, -0.0004501200000000, -0.0010073500000000 ] - [ 0.0003136900000000, -0.0003589700000000, -0.0003577100000000 ] - [ -0.0002213100000000, 0.0006017100000000, -0.0007531100000000 ] - [ -0.0008867700000000, -0.0000277700000000, 0.0020529800000000 ] - [ 0.0004469000000000, -0.0004246400000000, 0.0007967400000000 ] - [ 0.0006127500000000, -0.0004192200000000, 0.0006608700000000 ] - [ 0.0005493100000000, 0.0004288100000000, -0.0005451800000000 ] - [ 0.0005265300000000, 0.0003856500000000, -0.0001158300000000 ] - [ -0.0001671900000000, 0.0005467500000000, 0.0003663900000000 ] - [ 0.0004687400000000, 0.0010073000000000, 0.0004426800000000 ] - [ 0.0002751900000000, -0.0007768600000000, -0.0009301100000000 ] - [ 0.0002201600000000, -0.0016753600000000, -0.0003193500000000 ] - [ -0.0001342100000000, 0.0007755500000000, -0.0002483600000000 ] - [ -0.0000740500000000, 0.0007588500000000, -0.0002774300000000 ] - [ -0.0001491300000000, -0.0006897600000000, 0.0002350700000000 ] - [ -0.0000303300000000, -0.0007639300000000, 0.0006122100000000 ] - [ -0.0004711500000000, -0.0006193200000000, 0.0002204800000000 ] - [ 0.0000929200000000, -0.0009834200000000, 0.0004634900000000 ] - [ 0.0013511800000000, 0.0030505500000000, -0.0021822400000000 ] - [ 0.0013759400000000, -0.0030465600000000, 0.0028030100000000 ] - [ 0.0002082800000000, -0.0007751400000000, -0.0001971200000000 ] - [ 0.0002789600000000, -0.0007563100000000, -0.0002314400000000 ] - [ 0.0001836200000000, 0.0008385700000000, 0.0003440800000000 ] - [ 0.0003286900000000, 0.0009098800000000, 0.0008051200000000 ] - [ -0.1204916300000000, 0.0902647200000000, -0.0454451200000000 ] - [ 0.0025829400000000, -0.0003095700000000, -0.0002253200000000 ] - [ 0.0001487700000000, 0.0000853200000000, 0.0001512500000000 ] - [ 0.0001474600000000, -0.0000014600000000, 0.0004309100000000 ] - [ -0.0013187600000000, -0.0006529800000000, 0.0006080400000000 ] - [ 0.0002069000000000, -0.0003032600000000, -0.0001520700000000 ] - [ -0.0001861800000000, 0.0001326400000000, -0.0000479700000000 ] - [ -0.0001654300000000, 0.0001338800000000, -0.0000380400000000 ] - [ 0.0000842900000000, -0.0001806500000000, -0.0000437900000000 ] - [ 0.0001050700000000, -0.0001730800000000, -0.0000533700000000 ] - [ -0.0008946400000000, 0.0006616600000000, 0.0005064700000000 ] - [ 0.0008651800000000, -0.0001852900000000, -0.0001864500000000 ] - [ -0.0001211500000000, -0.0001158900000000, 0.0001886700000000 ] - [ -0.0001234800000000, -0.0000977000000000, 0.0003439100000000 ] - [ -0.0161020400000000, 0.0072924300000000, 0.0004179700000000 ] - [ 0.0027387400000000, 0.0008430900000000, 0.0000371300000000 ] - [ 0.0005835900000000, -0.0001233900000000, -0.0001648800000000 ] - [ 0.0005976600000000, -0.0001240700000000, -0.0001497400000000 ] - [ -0.0016750800000000, -0.0008865500000000, -0.0005904000000000 ] - [ 0.0019882900000000, -0.0000001000000000, 0.0002470500000000 ] - [ -0.0006695200000000, -0.0001370700000000, 0.0003558200000000 ] - [ -0.0005161300000000, -0.0001241600000000, 0.0003001000000000 ] - [ 0.0227366300000000, -0.0360511500000000, 0.0233959200000000 ] - [ 0.0056962300000000, 0.0015648800000000, -0.0011640600000000 ] - [ 0.0002215900000000, -0.0003035300000000, 0.0003951700000000 ] - [ 0.0002552500000000, -0.0002941900000000, 0.0003574800000000 ] - [ -0.0012035400000000, 0.0011749400000000, 0.0007439900000000 ] - [ 0.0012952900000000, -0.0001533100000000, -0.0010827300000000 ] - [ -0.0001765200000000, -0.0002776900000000, -0.0000929100000000 ] - [ -0.0001675300000000, -0.0002892800000000, 0.0000557000000000 ] - [ -0.0164577100000000, 0.0058595800000000, -0.0103543400000000 ] - [ 0.0029930600000000, 0.0003481300000000, -0.0009553800000000 ] - [ -0.0025536500000000, -0.0025421400000000, -0.0008616000000000 ] - [ 0.0045267900000000, -0.0010900800000000, -0.0016138000000000 ] - [ 0.0004062300000000, -0.0003280000000000, 0.0003161000000000 ] - [ -0.0017658700000000, 0.0023158100000000, -0.0017957800000000 ] - [ 0.0000532000000000, -0.0000630000000000, 0.0000061700000000 ] - [ -0.0000244800000000, -0.0000615300000000, 0.0000006200000000 ] - [ 0.0000308300000000, -0.0000839200000000, -0.0001733400000000 ] - [ -0.0000702700000000, -0.0000777700000000, -0.0002013500000000 ] - [ -0.0000436400000000, -0.0000111200000000, -0.0003019400000000 ] - [ -0.0000359300000000, -0.0000262400000000, -0.0002663200000000 ] - [ 0.1144016500000000, -0.0706766300000000, 0.0422638800000000 ] - [ -0.0087097600000000, -0.0001234700000000, 0.0006267400000000 ] - [ 0.0045318000000000, 0.0004884300000000, -0.0004862000000000 ] - [ -0.0023450900000000, 0.0006091600000000, 0.0011525000000000 ] - [ -0.0000720400000000, -0.0000544600000000, -0.0001074800000000 ] - [ 0.0001348700000000, 0.0000494600000000, -0.0004696800000000 ] - [ -0.0001104900000000, -0.0001771300000000, -0.0012932500000000 ] - [ -0.0002434500000000, -0.0001871000000000, -0.0002120200000000 ] - [ -0.0000155700000000, 0.0000080200000000, -0.0000600200000000 ] - [ -0.0002791400000000, -0.0000109000000000, 0.0000745500000000 ] - [ 0.0023912000000000, 0.0040506700000000, -0.0026144500000000 ] - [ -0.0019592000000000, -0.0017450600000000, 0.0021403500000000 ] - [ 0.0006925800000000, 0.0001857200000000, -0.0003020700000000 ] - [ -0.0009395100000000, -0.0000452500000000, -0.0006833200000000 ] - [ 0.0003029300000000, 0.0001572300000000, -0.0002529900000000 ] - [ -0.0005272800000000, 0.0001480800000000, -0.0002546500000000 ] - [ 0.0002161400000000, -0.0007682500000000, -0.0006874400000000 ] - [ -0.0016426200000000, 0.0002621900000000, 0.0024898000000000 ] - [ 0.0001978700000000, 0.0001335600000000, 0.0000415400000000 ] - [ 0.0000547400000000, 0.0001353900000000, 0.0000595300000000 ] - [ 0.0000048600000000, -0.0001509400000000, -0.0003673000000000 ] - [ 0.0001932300000000, -0.0000905300000000, -0.0000538400000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001202100000000, -0.0000736500000000, 0.0003061500000000 ] - [ -0.0001328800000000, -0.0000144700000000, 0.0002344400000000 ] - [ -0.0004202700000000, 0.0001182700000000, -0.0000708700000000 ] - [ 0.0001048700000000, -0.0000419800000000, -0.0001443400000000 ] - [ 0.0000632800000000, 0.0000933100000000, 0.0002710100000000 ] - [ 0.0002003100000000, -0.0001962400000000, -0.0003890900000000 ] - [ -0.0072901200000000, -0.0043994600000000, 0.0078881200000000 ] - [ 0.0015913600000000, 0.0000044100000000, 0.0001229700000000 ] - [ 0.0001458500000000, 0.0000183300000000, 0.0004644800000000 ] - [ 0.0001318200000000, 0.0000161200000000, 0.0004811300000000 ] - [ -0.0007297700000000, -0.0002132700000000, -0.0003078600000000 ] - [ 0.0005784100000000, 0.0001195500000000, -0.0003734200000000 ] - [ -0.0002050600000000, 0.0000179500000000, -0.0001606600000000 ] - [ -0.0000854300000000, 0.0000480200000000, -0.0003510400000000 ] - [ -0.0013561600000000, -0.0007324900000000, -0.0002660200000000 ] - [ 0.0007922100000000, -0.0001508300000000, 0.0001839100000000 ] - [ -0.0001133400000000, 0.0000587800000000, -0.0001751100000000 ] - [ -0.0013132600000000, 0.0001340900000000, -0.0003673700000000 ] - [ 0.0006297400000000, 0.0009198000000000, -0.0005338100000000 ] - [ -0.0023434900000000, -0.0004357900000000, 0.0002270700000000 ] - [ 0.0008493100000000, 0.0000964500000000, -0.0000167600000000 ] - [ 0.0006661600000000, 0.0000931300000000, 0.0000108300000000 ] - [ 0.0009268800000000, -0.0000818900000000, -0.0003588900000000 ] - [ 0.0005966300000000, -0.0001217500000000, -0.0000640700000000 ] - [ 0.0007295500000000, -0.0003250300000000, -0.0001042100000000 ] - [ -0.0013834500000000, -0.0004170000000000, -0.0007333200000000 ] - [ -0.0008498400000000, 0.0001721000000000, 0.0018573000000000 ] - [ -0.0001881700000000, 0.0008024200000000, -0.0009489900000000 ] - [ 0.0006270500000000, -0.0003522200000000, 0.0003114300000000 ] - [ 0.0004595600000000, -0.0003573100000000, 0.0004447900000000 ] - [ 0.0005197900000000, 0.0003483800000000, -0.0005508700000000 ] - [ 0.0005511900000000, 0.0003891700000000, -0.0009827100000000 ] - [ 0.0004188900000000, 0.0010428300000000, 0.0003379600000000 ] - [ -0.0002125600000000, 0.0005855100000000, 0.0002650100000000 ] - [ -0.0000122100000000, -0.0008224000000000, 0.0002216300000000 ] - [ 0.0000313200000000, 0.0000784300000000, -0.0003882900000000 ] - [ -0.0001186500000000, 0.0008168600000000, -0.0004533500000000 ] - [ -0.0001790400000000, 0.0008322800000000, -0.0004260200000000 ] - [ -0.0001125700000000, -0.0008997400000000, 0.0004787800000000 ] - [ -0.0002159200000000, -0.0008238700000000, 0.0000888100000000 ] - [ 0.0000138300000000, -0.0009603300000000, 0.0004152300000000 ] - [ -0.0005459100000000, -0.0005994600000000, 0.0001771400000000 ] - [ -0.0018160300000000, -0.0014853200000000, 0.0015556600000000 ] - [ -0.0018157200000000, 0.0045947500000000, -0.0034147700000000 ] - [ 0.0002470500000000, -0.0008091000000000, -0.0004394300000000 ] - [ 0.0001768000000000, -0.0008244400000000, -0.0004044900000000 ] - [ 0.0002591500000000, 0.0007432000000000, 0.0003089100000000 ] - [ 0.0001325500000000, 0.0006691600000000, -0.0001715800000000 ] - [ 0.1204845100000000, -0.0917380400000000, 0.0462233900000000 ] - [ -0.0022573000000000, 0.0001411100000000, -0.0001215200000000 ] - [ 0.0001759800000000, 0.0000887100000000, 0.0001929200000000 ] - [ 0.0001739200000000, 0.0001688600000000, -0.0000822900000000 ] - [ 0.0010030200000000, 0.0004806700000000, -0.0002603800000000 ] - [ -0.0005333600000000, 0.0001300400000000, 0.0004900000000000 ] - [ -0.0001347700000000, 0.0000361400000000, -0.0002951800000000 ] - [ -0.0001555300000000, 0.0000339300000000, -0.0003055600000000 ] - [ 0.0001322100000000, -0.0001087000000000, -0.0002691500000000 ] - [ 0.0001123300000000, -0.0001144600000000, -0.0002610100000000 ] - [ 0.0011171200000000, -0.0003731600000000, -0.0001849400000000 ] - [ -0.0006451400000000, 0.0004659400000000, 0.0004992600000000 ] - [ -0.0000956900000000, -0.0001724000000000, 0.0001312000000000 ] - [ -0.0000945600000000, -0.0001877800000000, -0.0000230600000000 ] - [ 0.0159544100000000, -0.0072309200000000, -0.0006563600000000 ] - [ -0.0029501600000000, -0.0005521000000000, -0.0003509300000000 ] - [ 0.0005991200000000, -0.0001323900000000, -0.0003227000000000 ] - [ 0.0005808900000000, -0.0001312000000000, -0.0003378500000000 ] - [ 0.0028492700000000, 0.0011328500000000, 0.0010783300000000 ] - [ -0.0008045700000000, 0.0002575000000000, 0.0002389300000000 ] - [ -0.0005123000000000, -0.0001191900000000, 0.0001362700000000 ] - [ -0.0006681600000000, -0.0001330200000000, 0.0001929500000000 ] - [ -0.0246993400000000, 0.0370945800000000, -0.0244236600000000 ] - [ -0.0068333500000000, -0.0012863200000000, 0.0006566900000000 ] - [ 0.0001911900000000, -0.0002786200000000, 0.0000016200000000 ] - [ 0.0001570600000000, -0.0002882400000000, 0.0000383600000000 ] - [ 0.0016248100000000, -0.0006029000000000, -0.0011434200000000 ] - [ -0.0008808900000000, 0.0007328000000000, 0.0006796800000000 ] - [ -0.0002339300000000, -0.0003054200000000, -0.0002941500000000 ] - [ -0.0002428200000000, -0.0002932500000000, -0.0004418900000000 ] - [ 0.0160842700000000, -0.0054413800000000, 0.0108656200000000 ] - [ -0.0033960200000000, 0.0002309800000000, 0.0013325600000000 ] - [ 0.0025168400000000, 0.0026986600000000, 0.0010625200000000 ] - [ -0.0042402800000000, 0.0010393700000000, 0.0016022700000000 ] - [ -0.0003391800000000, 0.0004804900000000, -0.0005089800000000 ] - [ 0.0017885600000000, -0.0021765700000000, 0.0016094200000000 ] - [ -0.0000201700000000, -0.0000814700000000, 0.0001848600000000 ] - [ 0.0000579700000000, -0.0000834500000000, 0.0001898200000000 ] - [ -0.0000637100000000, -0.0000614200000000, -0.0000210000000000 ] - [ 0.0000373500000000, -0.0000671400000000, 0.0000052200000000 ] - [ -0.0000228700000000, 0.0000000500000000, 0.0003112900000000 ] - [ -0.0000322500000000, 0.0000151800000000, 0.0002770900000000 ] - [ -0.1139008700000000, 0.0718376000000000, -0.0429612200000000 ] - [ 0.0087570300000000, 0.0001416100000000, -0.0006067300000000 ] - [ -0.0045911500000000, -0.0004728000000000, 0.0004698100000000 ] - [ 0.0022747700000000, -0.0005903600000000, -0.0011515000000000 ] - [ 0.0001384400000000, 0.0000432700000000, 0.0000850200000000 ] - [ -0.0000664900000000, -0.0000602600000000, 0.0004451400000000 ] - [ -0.0002039100000000, 0.0002207800000000, 0.0007354100000000 ] - [ -0.0000275400000000, 0.0002205000000000, -0.0003654600000000 ] - [ -0.0002779300000000, -0.0000480300000000, 0.0006116200000000 ] - [ -0.0000140700000000, -0.0000296400000000, 0.0004820500000000 ] - [ -0.0020903600000000, -0.0039864300000000, 0.0031628900000000 ] - [ 0.0022426800000000, 0.0017970500000000, -0.0015801200000000 ] - [ -0.0003976100000000, -0.0002239500000000, -0.0002572700000000 ] - [ 0.0012290000000000, 0.0000044500000000, 0.0001107000000000 ] - [ -0.0005441300000000, 0.0001377900000000, -0.0000763500000000 ] - [ 0.0002843700000000, 0.0001463100000000, -0.0000759200000000 ] - [ -0.0003969000000000, 0.0005056500000000, 0.0010763100000000 ] - [ 0.0013971700000000, -0.0005598400000000, -0.0021695700000000 ] - [ 0.0000438300000000, 0.0001605600000000, 0.0002831900000000 ] - [ 0.0001885000000000, 0.0001587300000000, 0.0002662500000000 ] - [ 0.0002342700000000, -0.0001433700000000, 0.0000387100000000 ] - [ 0.0000529200000000, -0.0002032300000000, -0.0002746500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001120800000000, -0.0001109900000000, 0.0005025500000000 ] - [ -0.0001323400000000, -0.0001204100000000, 0.0005348800000000 ] - [ 0.0001030800000000, -0.0008845100000000, 0.0007496700000000 ] - [ -0.0001135100000000, -0.0002271100000000, -0.0001246200000000 ] - [ 0.0002806800000000, 0.0001456700000000, 0.0003511700000000 ] - [ 0.0000070400000000, -0.0000484200000000, 0.0001088800000000 ] - [ 0.0041525600000000, 0.0066536500000000, -0.0080202600000000 ] - [ 0.0009308600000000, 0.0005819100000000, -0.0001942700000000 ] - [ 0.0001472300000000, 0.0000205400000000, 0.0006752400000000 ] - [ 0.0001308900000000, 0.0000213100000000, 0.0006873800000000 ] - [ 0.0006598500000000, 0.0026986300000000, 0.0013256200000000 ] - [ 0.0002461200000000, 0.0002966900000000, -0.0004331100000000 ] - [ -0.0000274800000000, 0.0000097200000000, -0.0000807800000000 ] - [ -0.0002373100000000, 0.0000760900000000, -0.0001095600000000 ] - [ 0.0021978100000000, -0.0075931000000000, -0.0027790500000000 ] - [ 0.0000627400000000, -0.0007141400000000, -0.0003422200000000 ] - [ 0.0000461700000000, -0.0000592300000000, -0.0007735500000000 ] - [ -0.0009126500000000, -0.0000254800000000, -0.0001274800000000 ] - [ -0.0023378100000000, 0.0046511800000000, -0.0016512200000000 ] - [ -0.0001992300000000, 0.0010523100000000, 0.0001873700000000 ] - [ 0.0008127100000000, 0.0001275700000000, -0.0001645900000000 ] - [ 0.0007935900000000, 0.0001217800000000, -0.0001323200000000 ] - [ -0.0003528000000000, -0.0001000000000000, -0.0010873100000000 ] - [ 0.0011663300000000, -0.0001890600000000, -0.0002654400000000 ] - [ -0.0001799200000000, -0.0021549600000000, -0.0023997700000000 ] - [ -0.0007178500000000, -0.0006831700000000, -0.0004788200000000 ] - [ -0.0004344400000000, 0.0013330400000000, 0.0001652700000000 ] - [ -0.0009173000000000, 0.0009983700000000, -0.0008581800000000 ] - [ 0.0005345400000000, -0.0002115000000000, 0.0000994300000000 ] - [ 0.0005566800000000, -0.0002693600000000, 0.0001922600000000 ] - [ 0.0006250900000000, 0.0003842500000000, -0.0014862000000000 ] - [ 0.0002125200000000, 0.0004860500000000, -0.0013461000000000 ] - [ -0.0001941900000000, 0.0001733900000000, -0.0003747100000000 ] - [ 0.0000395900000000, 0.0007143100000000, 0.0002883900000000 ] - [ -0.0008518700000000, 0.0016528600000000, 0.0004598900000000 ] - [ -0.0007005700000000, 0.0021907200000000, 0.0005573600000000 ] - [ -0.0002004100000000, 0.0008690900000000, -0.0006065500000000 ] - [ -0.0001800400000000, 0.0008522900000000, -0.0005736300000000 ] - [ 0.0003768400000000, -0.0010450200000000, -0.0003858700000000 ] - [ -0.0004311000000000, -0.0010395200000000, 0.0001875200000000 ] - [ -0.0002214400000000, -0.0007410700000000, -0.0002842700000000 ] - [ -0.0002393500000000, -0.0008591800000000, 0.0002342100000000 ] - [ 0.0029273700000000, 0.0034206800000000, -0.0019299000000000 ] - [ -0.0031369100000000, 0.0042855800000000, -0.0034493800000000 ] - [ 0.0001930100000000, -0.0008257900000000, -0.0006077800000000 ] - [ 0.0002116000000000, -0.0008095200000000, -0.0005802500000000 ] - [ 0.0010217000000000, 0.0007273100000000, -0.0009004000000000 ] - [ -0.0000797600000000, 0.0009235900000000, 0.0000013500000000 ] - [ 0.0942701400000000, -0.3278556900000000, 0.1687359300000000 ] - [ -0.0000664400000000, -0.0011578200000000, 0.0008852600000000 ] - [ 0.0002487500000000, 0.0002428000000000, -0.0002118600000000 ] - [ 0.0001621700000000, 0.0002395200000000, -0.0002741100000000 ] - [ 0.0004030700000000, 0.0030158700000000, 0.0019185700000000 ] - [ 0.0000547600000000, 0.0006650500000000, 0.0007175400000000 ] - [ -0.0001123300000000, -0.0000659700000000, -0.0006033000000000 ] - [ -0.0001111700000000, -0.0000579000000000, -0.0005651000000000 ] - [ 0.0001523800000000, -0.0000571900000000, -0.0005134300000000 ] - [ 0.0001536400000000, -0.0000600600000000, -0.0004798500000000 ] - [ 0.0004630200000000, 0.0000018800000000, 0.0016101400000000 ] - [ -0.0002433700000000, 0.0001335400000000, 0.0006927700000000 ] - [ -0.0000349000000000, -0.0002253800000000, -0.0001533500000000 ] - [ -0.0001070700000000, -0.0001984300000000, -0.0001648500000000 ] - [ -0.0084453200000000, 0.0506090200000000, -0.0104479500000000 ] - [ -0.0008081300000000, 0.0002456300000000, 0.0003874100000000 ] - [ 0.0006024500000000, -0.0001436700000000, -0.0005165500000000 ] - [ 0.0005646500000000, -0.0001431900000000, -0.0005136400000000 ] - [ 0.0012237100000000, 0.0029030100000000, 0.0020943300000000 ] - [ 0.0002906100000000, 0.0003468200000000, 0.0006458500000000 ] - [ -0.0006149900000000, -0.0001004800000000, -0.0000367600000000 ] - [ -0.0005624600000000, -0.0001119900000000, -0.0000012900000000 ] - [ -0.0129725500000000, -0.0009052200000000, -0.0091321600000000 ] - [ -0.0006389500000000, -0.0012148500000000, 0.0005326200000000 ] - [ 0.0000685600000000, -0.0002761200000000, -0.0003887900000000 ] - [ 0.0001276600000000, -0.0002757900000000, -0.0003221700000000 ] - [ 0.0010415400000000, 0.0066112000000000, 0.0033462700000000 ] - [ -0.0004615100000000, 0.0009205600000000, 0.0009319900000000 ] - [ -0.0003017500000000, -0.0003052700000000, -0.0007219100000000 ] - [ -0.0003239100000000, -0.0002980300000000, -0.0007554700000000 ] - [ -0.0040276300000000, -0.0008648000000000, -0.0180622200000000 ] - [ -0.0012752000000000, 0.0001405100000000, 0.0009792600000000 ] - [ -0.0020735400000000, 0.0016665900000000, -0.0014230200000000 ] - [ 0.0001047400000000, 0.0020750000000000, -0.0009545200000000 ] - [ -0.0028247300000000, -0.0015586400000000, 0.0015200300000000 ] - [ 0.0015224100000000, -0.0018458900000000, 0.0007569700000000 ] - [ 0.0000142500000000, -0.0001119700000000, 0.0003961100000000 ] - [ 0.0000323900000000, -0.0001206900000000, 0.0003647800000000 ] - [ -0.0000241500000000, -0.0000426500000000, 0.0002443600000000 ] - [ 0.0000037700000000, -0.0000186200000000, 0.0001515200000000 ] - [ 0.0000094000000000, 0.0000493600000000, 0.0009561900000000 ] - [ -0.0000406500000000, 0.0000455100000000, 0.0008649400000000 ] - [ -0.0740736900000000, 0.2628414900000000, -0.1182389200000000 ] - [ 0.0012535100000000, 0.0008444300000000, -0.0019887000000000 ] - [ -0.0014555600000000, -0.0050073300000000, -0.0066710700000000 ] - [ 0.0006820100000000, -0.0007847500000000, -0.0018153000000000 ] - [ 0.0000055800000000, -0.0000701800000000, 0.0008445700000000 ] - [ 0.0000958500000000, -0.0001183000000000, 0.0009138000000000 ] - [ 0.0013121400000000, 0.0000593100000000, 0.0008487200000000 ] - [ -0.0013355500000000, 0.0005721300000000, 0.0015081800000000 ] - [ -0.0001511000000000, -0.0000955300000000, 0.0010137200000000 ] - [ -0.0001559800000000, -0.0000922100000000, 0.0008897400000000 ] - [ 0.0026080500000000, -0.0065456900000000, 0.0030636900000000 ] - [ -0.0005313000000000, -0.0053253900000000, 0.0012247600000000 ] - [ -0.0001587300000000, 0.0003810800000000, 0.0020982700000000 ] - [ 0.0003696200000000, 0.0001518800000000, -0.0002670900000000 ] - [ -0.0003046200000000, -0.0001141000000000, 0.0001520100000000 ] - [ 0.0000078300000000, 0.0000226800000000, 0.0000955000000000 ] - [ 0.0001766000000000, 0.0037517200000000, -0.0002046600000000 ] - [ 0.0002634600000000, 0.0008351400000000, -0.0013969000000000 ] - [ 0.0001191600000000, 0.0002104300000000, 0.0005896900000000 ] - [ 0.0000969800000000, 0.0002027100000000, 0.0005202200000000 ] - [ 0.0001147600000000, -0.0001778600000000, -0.0001596300000000 ] - [ 0.0000914700000000, -0.0001942600000000, -0.0002719900000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001495300000000, 0.0000477800000000, -0.0001652800000000 ] - [ -0.0001291200000000, 0.0000574600000000, -0.0001982400000000 ] - [ -0.0003647500000000, 0.0009532400000000, -0.0010853800000000 ] - [ -0.0001469900000000, 0.0002926600000000, -0.0002117400000000 ] - [ -0.0000169700000000, -0.0002141500000000, -0.0006898200000000 ] - [ 0.0002519100000000, -0.0000194600000000, -0.0004459600000000 ] - [ -0.0040764100000000, -0.0067673200000000, 0.0088355100000000 ] - [ -0.0006722900000000, -0.0005233700000000, 0.0005323300000000 ] - [ 0.0001283600000000, 0.0000212900000000, 0.0000759600000000 ] - [ 0.0001445200000000, 0.0000210200000000, 0.0000636400000000 ] - [ -0.0003821100000000, -0.0027517400000000, -0.0020815600000000 ] - [ 0.0000336500000000, -0.0003422600000000, -0.0003188100000000 ] - [ -0.0002459700000000, 0.0000319800000000, -0.0006664000000000 ] - [ -0.0000397200000000, -0.0000335900000000, -0.0006380700000000 ] - [ -0.0024455300000000, 0.0075331100000000, 0.0035019800000000 ] - [ -0.0003465500000000, 0.0006783000000000, 0.0010925000000000 ] - [ -0.0014938900000000, 0.0002272200000000, 0.0005900400000000 ] - [ -0.0005524100000000, 0.0001969000000000, -0.0000453500000000 ] - [ 0.0008927200000000, -0.0048206700000000, 0.0018505100000000 ] - [ -0.0012639400000000, -0.0012200700000000, -0.0000154400000000 ] - [ 0.0006472100000000, 0.0000428200000000, 0.0003344500000000 ] - [ 0.0006642800000000, 0.0000480900000000, 0.0003020100000000 ] - [ 0.0018070200000000, -0.0000694500000000, 0.0009158100000000 ] - [ 0.0002955000000000, 0.0000195300000000, 0.0000959000000000 ] - [ -0.0008878100000000, 0.0013747700000000, 0.0012319800000000 ] - [ -0.0003555500000000, -0.0000902800000000, -0.0006258000000000 ] - [ -0.0006377100000000, -0.0005523000000000, 0.0009502100000000 ] - [ -0.0001514300000000, -0.0002172600000000, 0.0019743200000000 ] - [ 0.0005387300000000, -0.0005645300000000, 0.0010018400000000 ] - [ 0.0005158700000000, -0.0005072000000000, 0.0009135500000000 ] - [ 0.0004464400000000, 0.0003934300000000, 0.0003756700000000 ] - [ 0.0008607400000000, 0.0002900800000000, 0.0002397600000000 ] - [ 0.0004470500000000, 0.0014130800000000, 0.0010699900000000 ] - [ 0.0002170600000000, 0.0008815300000000, 0.0004171500000000 ] - [ 0.0010961000000000, -0.0032446800000000, -0.0011577600000000 ] - [ 0.0009658600000000, -0.0037909500000000, -0.0012580200000000 ] - [ -0.0000568800000000, 0.0007305100000000, -0.0001017200000000 ] - [ -0.0000761900000000, 0.0007447700000000, -0.0001343800000000 ] - [ -0.0006321800000000, -0.0005487400000000, 0.0010925500000000 ] - [ 0.0001766200000000, -0.0005539300000000, 0.0005177800000000 ] - [ -0.0002386200000000, -0.0008319100000000, 0.0009072900000000 ] - [ -0.0002160000000000, -0.0007209400000000, 0.0004026200000000 ] - [ -0.0033868300000000, -0.0018233500000000, 0.0012985300000000 ] - [ 0.0027127900000000, -0.0027050400000000, 0.0028281500000000 ] - [ 0.0002592600000000, -0.0007628100000000, -0.0000357900000000 ] - [ 0.0002429700000000, -0.0007737000000000, -0.0000601800000000 ] - [ -0.0005683700000000, 0.0008526300000000, 0.0015420200000000 ] - [ 0.0005343200000000, 0.0006582100000000, 0.0006379200000000 ] - [ -0.0878436200000000, 0.3146769300000000, -0.1600941300000000 ] - [ 0.0003801200000000, 0.0010021100000000, -0.0012354300000000 ] - [ 0.0000747300000000, -0.0000701800000000, 0.0005549800000000 ] - [ 0.0001566500000000, -0.0000741800000000, 0.0006219300000000 ] - [ -0.0007281000000000, -0.0031976700000000, -0.0015889700000000 ] - [ -0.0003739100000000, -0.0008312900000000, -0.0003723700000000 ] - [ -0.0002056700000000, 0.0002282400000000, 0.0002519100000000 ] - [ -0.0002073400000000, 0.0002200200000000, 0.0002146600000000 ] - [ 0.0000653600000000, -0.0002294200000000, 0.0001954300000000 ] - [ 0.0000648300000000, -0.0002248800000000, 0.0001611100000000 ] - [ -0.0002524800000000, 0.0002901300000000, -0.0013097900000000 ] - [ 0.0004635900000000, 0.0001518700000000, -0.0003742400000000 ] - [ -0.0001822800000000, -0.0000642800000000, 0.0004698200000000 ] - [ -0.0001117900000000, -0.0000881100000000, 0.0004822000000000 ] - [ 0.0080928300000000, -0.0486312800000000, 0.0098964900000000 ] - [ 0.0005845700000000, 0.0000314900000000, -0.0007084900000000 ] - [ 0.0005771900000000, -0.0001120100000000, 0.0000253300000000 ] - [ 0.0006107000000000, -0.0001122800000000, 0.0000225600000000 ] - [ -0.0000455000000000, -0.0026512200000000, -0.0016300300000000 ] - [ 0.0008876000000000, -0.0000897200000000, -0.0001571300000000 ] - [ -0.0005646200000000, -0.0001555900000000, 0.0005260200000000 ] - [ -0.0006200300000000, -0.0001448900000000, 0.0004914800000000 ] - [ 0.0116876900000000, 0.0009654300000000, 0.0085622800000000 ] - [ -0.0005701500000000, 0.0014609700000000, -0.0010179500000000 ] - [ 0.0003440700000000, -0.0003056700000000, 0.0007805400000000 ] - [ 0.0002849400000000, -0.0003063400000000, 0.0007137700000000 ] - [ -0.0006620800000000, -0.0060575100000000, -0.0037897200000000 ] - [ 0.0008783200000000, -0.0003354300000000, -0.0013304400000000 ] - [ -0.0001116800000000, -0.0002779200000000, 0.0003260600000000 ] - [ -0.0000895400000000, -0.0002847000000000, 0.0003601100000000 ] - [ 0.0035800700000000, 0.0012415400000000, 0.0182881900000000 ] - [ 0.0008542000000000, 0.0004442300000000, -0.0005768700000000 ] - [ 0.0020425100000000, -0.0015370300000000, 0.0016107200000000 ] - [ -0.0000103600000000, -0.0019918200000000, 0.0010725500000000 ] - [ 0.0028446000000000, 0.0017228100000000, -0.0016950600000000 ] - [ -0.0014873200000000, 0.0020030500000000, -0.0009529600000000 ] - [ 0.0000189200000000, -0.0000329100000000, -0.0002024300000000 ] - [ 0.0000008900000000, -0.0000243600000000, -0.0001701800000000 ] - [ -0.0000095700000000, -0.0001035300000000, -0.0004327800000000 ] - [ -0.0000369500000000, -0.0001264400000000, -0.0003443600000000 ] - [ -0.0000766900000000, -0.0000592400000000, -0.0009332600000000 ] - [ -0.0000279600000000, -0.0000556400000000, -0.0008425000000000 ] - [ 0.0683625400000000, -0.2508490100000000, 0.1093557200000000 ] - [ -0.0011558100000000, -0.0008401500000000, 0.0020077500000000 ] - [ 0.0014081700000000, 0.0050203400000000, 0.0067318600000000 ] - [ -0.0007516700000000, 0.0007934600000000, 0.0018043000000000 ] - [ 0.0000616100000000, 0.0000596800000000, -0.0008590300000000 ] - [ -0.0000267500000000, 0.0001087100000000, -0.0009300600000000 ] - [ -0.0016062700000000, -0.0000173200000000, -0.0014073300000000 ] - [ 0.0010410400000000, -0.0005332600000000, -0.0020689100000000 ] - [ -0.0001420200000000, 0.0000535100000000, -0.0004456600000000 ] - [ -0.0001371800000000, 0.0000500300000000, -0.0003250700000000 ] - [ -0.0023441900000000, 0.0065825900000000, -0.0025273400000000 ] - [ 0.0008307300000000, 0.0053530300000000, -0.0006730700000000 ] - [ 0.0004481000000000, -0.0004175400000000, -0.0026208300000000 ] - [ -0.0000724500000000, -0.0001965200000000, -0.0002914400000000 ] - [ 0.0000625800000000, 0.0004087300000000, -0.0004860000000000 ] - [ -0.0002508300000000, 0.0002722500000000, -0.0004272000000000 ] - [ -0.0003772300000000, -0.0040131900000000, 0.0005735400000000 ] - [ -0.0005191300000000, -0.0011185600000000, 0.0017323400000000 ] - [ 0.0001228600000000, 0.0000832900000000, -0.0002584800000000 ] - [ 0.0001452300000000, 0.0000911400000000, -0.0001893500000000 ] - [ 0.0001300000000000, -0.0001157500000000, -0.0001670900000000 ] - [ 0.0001486600000000, -0.0000994100000000, -0.0000539500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002074500000000, 0.0000600100000000, -0.0006501800000000 ] - [ -0.0001248100000000, 0.0001171600000000, -0.0007782400000000 ] - [ -0.0006550000000000, 0.0012904700000000, -0.0021439400000000 ] - [ -0.0000162300000000, 0.0003791300000000, -0.0002503600000000 ] - [ -0.0004081700000000, 0.0001228700000000, -0.0010016400000000 ] - [ 0.0004909600000000, 0.0003706400000000, -0.0006867600000000 ] - [ -0.0073271800000000, -0.0085115700000000, 0.0176442900000000 ] - [ -0.0006796600000000, -0.0003028600000000, 0.0012220900000000 ] - [ 0.0000940200000000, 0.0000542400000000, -0.0004513600000000 ] - [ 0.0001591600000000, 0.0000608900000000, -0.0004784100000000 ] - [ -0.0012651000000000, -0.0029848300000000, -0.0045877600000000 ] - [ 0.0003012200000000, -0.0001430600000000, -0.0000150600000000 ] - [ -0.0005373000000000, -0.0000410500000000, -0.0013610800000000 ] - [ 0.0002046800000000, -0.0002194100000000, -0.0012315000000000 ] - [ 0.0003924400000000, 0.0016331000000000, 0.0026888400000000 ] - [ -0.0006158000000000, 0.0003556300000000, 0.0020106100000000 ] - [ -0.0030897400000000, 0.0004034900000000, 0.0021888500000000 ] - [ 0.0000048300000000, 0.0000376000000000, 0.0003530400000000 ] - [ 0.0006832300000000, -0.0028039700000000, 0.0007559900000000 ] - [ -0.0016473200000000, -0.0008128800000000, -0.0004580700000000 ] - [ 0.0004792100000000, -0.0000008900000000, 0.0008808700000000 ] - [ 0.0005388200000000, 0.0000214700000000, 0.0007350800000000 ] - [ 0.0028743600000000, -0.0001857000000000, 0.0016712600000000 ] - [ -0.0003953600000000, 0.0000075400000000, 0.0003012200000000 ] - [ -0.0022462300000000, 0.0013336500000000, 0.0095117300000000 ] - [ -0.0000069700000000, -0.0003985700000000, -0.0004198500000000 ] - [ -0.0008682600000000, -0.0002949200000000, 0.0003726600000000 ] - [ -0.0000859200000000, 0.0000478900000000, 0.0013366800000000 ] - [ 0.0005385900000000, -0.0006844000000000, 0.0021528400000000 ] - [ 0.0004291600000000, -0.0005861300000000, 0.0016840900000000 ] - [ 0.0002793700000000, 0.0002788400000000, 0.0016821300000000 ] - [ 0.0011422500000000, 0.0001530700000000, 0.0010406200000000 ] - [ 0.0007700800000000, 0.0021929700000000, 0.0025780600000000 ] - [ 0.0003188500000000, 0.0010019400000000, 0.0006249500000000 ] - [ 0.0002842100000000, -0.0020719400000000, -0.0012206100000000 ] - [ 0.0011902600000000, -0.0020482800000000, -0.0011562900000000 ] - [ 0.0000906700000000, 0.0005626900000000, 0.0004314500000000 ] - [ -0.0000100700000000, 0.0006446400000000, 0.0002799200000000 ] - [ -0.0012701100000000, -0.0008965800000000, 0.0020726100000000 ] - [ 0.0004474700000000, -0.0006266900000000, 0.0006355100000000 ] - [ 0.0003086000000000, -0.0019309100000000, 0.0029342200000000 ] - [ -0.0000300800000000, -0.0010326600000000, 0.0007109000000000 ] - [ -0.0027564200000000, -0.0011751000000000, -0.0002238800000000 ] - [ 0.0024643600000000, -0.0017014200000000, 0.0005741300000000 ] - [ 0.0004001900000000, -0.0005521800000000, 0.0005878200000000 ] - [ 0.0002942600000000, -0.0006514600000000, 0.0004319500000000 ] - [ -0.0014731500000000, 0.0009896600000000, 0.0027956500000000 ] - [ 0.0008493800000000, 0.0006119100000000, 0.0006643800000000 ] - [ -0.0445676500000000, 0.1619565800000000, -0.1958249700000000 ] - [ 0.0001060100000000, 0.0009824600000000, -0.0019954900000000 ] - [ -0.0000976100000000, -0.0003633500000000, 0.0011116700000000 ] - [ 0.0001804700000000, -0.0003010600000000, 0.0011127900000000 ] - [ 0.0002742700000000, -0.0018283800000000, -0.0008961300000000 ] - [ -0.0004783400000000, -0.0006267400000000, -0.0006081500000000 ] - [ -0.0002815500000000, 0.0005100400000000, 0.0009872700000000 ] - [ -0.0002918200000000, 0.0004721500000000, 0.0008489700000000 ] - [ -0.0000013700000000, -0.0004293300000000, 0.0008199400000000 ] - [ -0.0000138900000000, -0.0004121700000000, 0.0007082700000000 ] - [ 0.0005643300000000, 0.0021402400000000, -0.0005307400000000 ] - [ -0.0001547600000000, 0.0006403900000000, -0.0005871500000000 ] - [ -0.0003192000000000, 0.0001885500000000, 0.0009954000000000 ] - [ -0.0000857500000000, 0.0001392200000000, 0.0009711400000000 ] - [ 0.0008082600000000, 0.0063963400000000, -0.0179431900000000 ] - [ 0.0001368600000000, -0.0003912300000000, -0.0016698700000000 ] - [ 0.0005432700000000, -0.0000890500000000, 0.0005005300000000 ] - [ 0.0006617200000000, -0.0000913300000000, 0.0004910000000000 ] - [ 0.0004680900000000, 0.0005270300000000, -0.0009018300000000 ] - [ 0.0009270300000000, 0.0000743400000000, -0.0004860000000000 ] - [ -0.0004612300000000, -0.0001751800000000, 0.0009530300000000 ] - [ -0.0007219500000000, -0.0001562000000000, 0.0008708000000000 ] - [ 0.0091242100000000, -0.0101346700000000, -0.0108015000000000 ] - [ -0.0010621200000000, 0.0004191900000000, -0.0022914000000000 ] - [ 0.0006205100000000, -0.0003407700000000, 0.0018755700000000 ] - [ 0.0004046800000000, -0.0003465800000000, 0.0016375900000000 ] - [ 0.0006505200000000, 0.0004597400000000, -0.0040813800000000 ] - [ 0.0005749600000000, 0.0003542900000000, -0.0023002100000000 ] - [ 0.0000318000000000, -0.0002332600000000, 0.0012004700000000 ] - [ 0.0000937600000000, -0.0002322000000000, 0.0012226100000000 ] - [ 0.0057977600000000, -0.0376438100000000, 0.0341346000000000 ] - [ 0.0007012800000000, 0.0003145100000000, -0.0016355600000000 ] - [ -0.0006166600000000, -0.0008861100000000, 0.0020820800000000 ] - [ -0.0030441100000000, 0.0008725100000000, 0.0062351900000000 ] - [ 0.0025418900000000, 0.0022411400000000, 0.0013925900000000 ] - [ -0.0014452500000000, 0.0010278500000000, -0.0000482100000000 ] - [ 0.0000194300000000, -0.0000194400000000, -0.0007361300000000 ] - [ -0.0000076600000000, 0.0000119500000000, -0.0006194700000000 ] - [ 0.0000021200000000, -0.0000775500000000, -0.0010663900000000 ] - [ -0.0000485900000000, -0.0001573600000000, -0.0007518400000000 ] - [ -0.0001848500000000, -0.0001244500000000, -0.0026356500000000 ] - [ -0.0000094100000000, -0.0001030300000000, -0.0023216500000000 ] - [ 0.0403948200000000, -0.1085230200000000, 0.1571347800000000 ] - [ -0.0003588700000000, -0.0006245300000000, 0.0034915100000000 ] - [ -0.0003265400000000, -0.0009476100000000, 0.0057388100000000 ] - [ -0.0004157300000000, -0.0000353100000000, 0.0028347900000000 ] - [ 0.0001767500000000, 0.0000589900000000, -0.0022399200000000 ] - [ -0.0002246600000000, 0.0000711300000000, -0.0022439500000000 ] - [ -0.0029093300000000, 0.0002892200000000, -0.0022864000000000 ] - [ 0.0025981000000000, -0.0005285900000000, -0.0042059700000000 ] - [ -0.0001847900000000, 0.0001114500000000, -0.0021733800000000 ] - [ -0.0001135200000000, 0.0000913100000000, -0.0015725500000000 ] - [ -0.0020470600000000, 0.0033022200000000, -0.0011742500000000 ] - [ 0.0013692600000000, 0.0032634000000000, 0.0004597300000000 ] - [ 0.0010867600000000, -0.0008812400000000, -0.0079040300000000 ] - [ -0.0008662200000000, 0.0000634500000000, -0.0008745700000000 ] - [ 0.0001747700000000, 0.0002269400000000, -0.0007997400000000 ] - [ -0.0002972400000000, 0.0001878600000000, -0.0005924600000000 ] - [ -0.0016729200000000, -0.0012586200000000, 0.0016891500000000 ] - [ 0.0013897800000000, -0.0011462000000000, 0.0017892300000000 ] - [ 0.0000909600000000, 0.0000483000000000, -0.0008907900000000 ] - [ 0.0002226500000000, 0.0000450500000000, -0.0007298400000000 ] - [ -0.0002296100000000, -0.0002194000000000, -0.0006522300000000 ] - [ 0.0004888700000000, -0.0002340900000000, -0.0006560100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000546700000000, -0.0001237200000000, 0.0009829300000000 ] - [ -0.0001370700000000, -0.0001811300000000, 0.0011122300000000 ] - [ 0.0004014400000000, -0.0012366100000000, 0.0018121200000000 ] - [ -0.0002462500000000, -0.0003157700000000, -0.0000915600000000 ] - [ 0.0006647800000000, -0.0001852400000000, 0.0006635200000000 ] - [ -0.0002265200000000, -0.0004305900000000, 0.0003496800000000 ] - [ 0.0071159000000000, 0.0078960300000000, -0.0165545400000000 ] - [ 0.0009367300000000, 0.0003665800000000, -0.0008778200000000 ] - [ 0.0001812400000000, -0.0000107400000000, 0.0011953700000000 ] - [ 0.0001158300000000, -0.0000169100000000, 0.0012233300000000 ] - [ 0.0015567500000000, 0.0029638600000000, 0.0038439900000000 ] - [ -0.0000242600000000, 0.0000990900000000, -0.0007395000000000 ] - [ 0.0002584800000000, 0.0000823900000000, 0.0006095800000000 ] - [ -0.0004766100000000, 0.0002593100000000, 0.0004808300000000 ] - [ -0.0006881100000000, -0.0016303800000000, -0.0019061100000000 ] - [ 0.0003349400000000, -0.0003935000000000, -0.0012554600000000 ] - [ 0.0016130100000000, -0.0002310300000000, -0.0023439900000000 ] - [ -0.0014565800000000, 0.0001310300000000, -0.0005272000000000 ] - [ -0.0021286500000000, 0.0026050600000000, -0.0005795800000000 ] - [ 0.0001891700000000, 0.0006381400000000, 0.0006252400000000 ] - [ 0.0009742300000000, 0.0001705100000000, -0.0007051500000000 ] - [ 0.0009151700000000, 0.0001475800000000, -0.0005601500000000 ] - [ -0.0014335100000000, 0.0000156200000000, -0.0018462000000000 ] - [ 0.0018602800000000, -0.0001785600000000, -0.0004696400000000 ] - [ 0.0011452200000000, -0.0020945600000000, -0.0104740100000000 ] - [ -0.0010628000000000, -0.0003787200000000, -0.0006827900000000 ] - [ -0.0002063800000000, 0.0010647000000000, 0.0007156200000000 ] - [ -0.0009843900000000, 0.0007260400000000, -0.0002483500000000 ] - [ 0.0005338600000000, -0.0000909600000000, -0.0010476100000000 ] - [ 0.0006443700000000, -0.0001902500000000, -0.0005763000000000 ] - [ 0.0007938800000000, 0.0004960600000000, -0.0027869800000000 ] - [ -0.0000710800000000, 0.0006227900000000, -0.0021348000000000 ] - [ -0.0005109200000000, -0.0005893000000000, -0.0018590400000000 ] - [ -0.0000654900000000, 0.0005885700000000, 0.0000768800000000 ] - [ -0.0000226600000000, 0.0004661600000000, 0.0005035300000000 ] - [ -0.0009325000000000, 0.0004478300000000, 0.0004406900000000 ] - [ -0.0003439400000000, 0.0010289700000000, -0.0011334400000000 ] - [ -0.0002418500000000, 0.0009448300000000, -0.0009823200000000 ] - [ 0.0010197800000000, -0.0006976000000000, -0.0013700200000000 ] - [ -0.0007014800000000, -0.0009647200000000, 0.0000729700000000 ] - [ -0.0007594900000000, 0.0003395600000000, -0.0022773800000000 ] - [ -0.0004256000000000, -0.0005480500000000, -0.0000770000000000 ] - [ 0.0022910700000000, 0.0027485700000000, -0.0004207300000000 ] - [ -0.0028995300000000, 0.0032646800000000, -0.0012065200000000 ] - [ 0.0000547300000000, -0.0010312500000000, -0.0012239800000000 ] - [ 0.0001634200000000, -0.0009269100000000, -0.0010660800000000 ] - [ 0.0019388200000000, 0.0005907500000000, -0.0021693500000000 ] - [ -0.0003953400000000, 0.0009724400000000, -0.0000201500000000 ] - [ 0.0471210300000000, -0.1667583000000000, 0.1968622400000000 ] - [ 0.0002147800000000, -0.0011430100000000, 0.0016386100000000 ] - [ 0.0004209400000000, 0.0005374100000000, -0.0007690800000000 ] - [ 0.0001419500000000, 0.0004698400000000, -0.0007673800000000 ] - [ -0.0005996900000000, 0.0016714200000000, 0.0012590800000000 ] - [ 0.0001585500000000, 0.0004591600000000, 0.0009555800000000 ] - [ -0.0000392300000000, -0.0003403300000000, -0.0013306200000000 ] - [ -0.0000294400000000, -0.0003030400000000, -0.0011919500000000 ] - [ 0.0002177400000000, 0.0001381800000000, -0.0011321700000000 ] - [ 0.0002304000000000, 0.0001228100000000, -0.0010218400000000 ] - [ -0.0003481000000000, -0.0018588900000000, 0.0008608900000000 ] - [ 0.0003753200000000, -0.0003563800000000, 0.0009086700000000 ] - [ 0.0001012500000000, -0.0004772700000000, -0.0006770600000000 ] - [ -0.0001308500000000, -0.0004260100000000, -0.0006532300000000 ] - [ -0.0009521500000000, -0.0064412400000000, 0.0177276200000000 ] - [ -0.0003534100000000, 0.0006745800000000, 0.0013439200000000 ] - [ 0.0006381400000000, -0.0001668600000000, -0.0009881400000000 ] - [ 0.0005187200000000, -0.0001643800000000, -0.0009790500000000 ] - [ 0.0007099700000000, -0.0002704700000000, 0.0014039100000000 ] - [ 0.0002615000000000, 0.0001830400000000, 0.0009782100000000 ] - [ -0.0007194000000000, -0.0000814700000000, -0.0004616700000000 ] - [ -0.0004646300000000, -0.0001009900000000, -0.0003790200000000 ] - [ -0.0103321500000000, 0.0103609000000000, 0.0105232600000000 ] - [ -0.0001350100000000, -0.0001646300000000, 0.0017995700000000 ] - [ -0.0002072000000000, -0.0002416400000000, -0.0014799500000000 ] - [ 0.0000056200000000, -0.0002362900000000, -0.0012441300000000 ] - [ -0.0002356400000000, 0.0001210300000000, 0.0037056800000000 ] - [ -0.0001657600000000, 0.0002297500000000, 0.0019086600000000 ] - [ -0.0004424300000000, -0.0003501700000000, -0.0015864800000000 ] - [ -0.0005033000000000, -0.0003504700000000, -0.0016079100000000 ] - [ -0.0061841700000000, 0.0392223300000000, -0.0348735200000000 ] - [ -0.0011047300000000, 0.0002698300000000, 0.0020254800000000 ] - [ 0.0005671600000000, 0.0010170200000000, -0.0018881000000000 ] - [ 0.0031057600000000, -0.0007873300000000, -0.0060388900000000 ] - [ -0.0025056500000000, -0.0021031200000000, -0.0016094000000000 ] - [ 0.0014664400000000, -0.0008687700000000, -0.0001566200000000 ] - [ 0.0000142700000000, -0.0001266200000000, 0.0009228800000000 ] - [ 0.0000411300000000, -0.0001580700000000, 0.0008070700000000 ] - [ -0.0000353700000000, -0.0000677000000000, 0.0008720000000000 ] - [ 0.0000150900000000, 0.0000113800000000, 0.0005590400000000 ] - [ 0.0001153100000000, 0.0001139300000000, 0.0026440400000000 ] - [ -0.0000574800000000, 0.0000920400000000, 0.0023314800000000 ] - [ -0.0422692600000000, 0.1132312300000000, -0.1586481700000000 ] - [ 0.0004323700000000, 0.0006296900000000, -0.0034565900000000 ] - [ 0.0002590000000000, 0.0009526200000000, -0.0058073900000000 ] - [ 0.0003400700000000, 0.0000441600000000, -0.0028569900000000 ] - [ -0.0001072800000000, -0.0000703000000000, 0.0022166100000000 ] - [ 0.0002902600000000, -0.0000821100000000, 0.0022204500000000 ] - [ 0.0026283100000000, -0.0002501300000000, 0.0017123400000000 ] - [ -0.0029048900000000, 0.0005778800000000, 0.0036498800000000 ] - [ -0.0001073800000000, -0.0001523600000000, 0.0027254000000000 ] - [ -0.0001812700000000, -0.0001327500000000, 0.0021234100000000 ] - [ 0.0023244700000000, -0.0032402400000000, 0.0017426700000000 ] - [ -0.0010750400000000, -0.0031981000000000, 0.0001147000000000 ] - [ -0.0007907500000000, 0.0008337000000000, 0.0073182900000000 ] - [ 0.0011538900000000, -0.0001032300000000, 0.0003195200000000 ] - [ -0.0004153300000000, 0.0000673600000000, 0.0004721300000000 ] - [ 0.0000542100000000, 0.0001058900000000, 0.0002653900000000 ] - [ 0.0014953300000000, 0.0010020300000000, -0.0012763600000000 ] - [ -0.0016240400000000, 0.0008432400000000, -0.0014430500000000 ] - [ 0.0001518900000000, 0.0002457100000000, 0.0012163800000000 ] - [ 0.0000186400000000, 0.0002489500000000, 0.0010549800000000 ] - [ 0.0004709000000000, -0.0000748000000000, 0.0003177400000000 ] - [ -0.0002468400000000, -0.0000603600000000, 0.0003221800000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009742600000000, 0.0000630900000000, -0.0000048000000000 ] - [ 0.0009730000000000, -0.0004736200000000, -0.0002270000000000 ] - [ -0.0000791300000000, -0.0000225000000000, 0.0001593300000000 ] - [ -0.0001878600000000, 0.0001885700000000, -0.0003680400000000 ] - [ 0.0004976400000000, -0.0000845600000000, -0.0000614800000000 ] - [ -0.0001429400000000, 0.0000486500000000, -0.0001995800000000 ] - [ 0.0001312100000000, 0.0000071200000000, 0.0002156200000000 ] - [ 0.0001196700000000, 0.0000768500000000, 0.0002976700000000 ] - [ -0.0012362400000000, -0.0002271000000000, 0.0002863100000000 ] - [ 0.0089691900000000, -0.0086616200000000, 0.0031096300000000 ] - [ 0.0001920300000000, -0.0000227900000000, -0.0001475100000000 ] - [ 0.0000902500000000, -0.0000472800000000, -0.0003626700000000 ] - [ 0.0004912300000000, 0.0002241700000000, -0.0000459600000000 ] - [ -0.0005531400000000, -0.0000295500000000, -0.0003048000000000 ] - [ -0.0001350800000000, -0.0000141000000000, 0.0004701400000000 ] - [ -0.0001479100000000, -0.0000188700000000, 0.0004581400000000 ] - [ -0.0005513000000000, 0.0000090200000000, -0.0000511000000000 ] - [ -0.0008870000000000, 0.0000546400000000, -0.0003983500000000 ] - [ -0.0008516800000000, -0.0000911700000000, -0.0000068500000000 ] - [ -0.0006560400000000, -0.0000903500000000, 0.0000214100000000 ] - [ -0.0003485800000000, 0.0010745500000000, -0.0002921900000000 ] - [ 0.0021053400000000, -0.0000773800000000, 0.0001821300000000 ] - [ 0.0013788800000000, -0.0001833400000000, -0.0004050200000000 ] - [ 0.0001979500000000, -0.0000631800000000, -0.0000498700000000 ] - [ -0.0005072300000000, -0.0004649800000000, -0.0004614800000000 ] - [ -0.0005367500000000, -0.0004249800000000, -0.0009735500000000 ] - [ -0.0004525300000000, 0.0003750400000000, 0.0004649000000000 ] - [ -0.0006382300000000, 0.0003676300000000, 0.0003197800000000 ] - [ 0.0003021400000000, 0.0001191100000000, -0.0004323100000000 ] - [ 0.0008728800000000, -0.0007871500000000, 0.0017723800000000 ] - [ -0.0003868800000000, 0.0002997700000000, -0.0004877500000000 ] - [ 0.0014289300000000, 0.0002960600000000, -0.0006688500000000 ] - [ 0.0000600700000000, 0.0006583100000000, 0.0003371900000000 ] - [ 0.0002080600000000, 0.0007504100000000, 0.0000462300000000 ] - [ 0.0001750000000000, -0.0008218200000000, -0.0004138900000000 ] - [ 0.0001111400000000, -0.0008041300000000, -0.0004436200000000 ] - [ 0.0003480700000000, 0.0030252200000000, -0.0016904900000000 ] - [ 0.0009600000000000, -0.0008292200000000, 0.0008612400000000 ] - [ -0.0004898200000000, -0.0010361200000000, 0.0002452200000000 ] - [ 0.0002212300000000, -0.0005981900000000, 0.0002916800000000 ] - [ -0.0002265300000000, -0.0010081300000000, 0.0006575200000000 ] - [ -0.0001141800000000, -0.0007379900000000, -0.0000842700000000 ] - [ -0.0001745800000000, 0.0008245500000000, -0.0003905900000000 ] - [ -0.0002530300000000, 0.0008018000000000, -0.0004264800000000 ] - [ 0.0002431900000000, -0.0003608900000000, -0.0001665500000000 ] - [ 0.0005231900000000, -0.0005072500000000, 0.0003890000000000 ] - [ 0.0000022100000000, 0.0008470600000000, 0.0003147800000000 ] - [ 0.0005497400000000, 0.0005791000000000, 0.0001869000000000 ] - [ 0.0001386000000000, -0.0000469700000000, -0.0002767900000000 ] - [ 0.0001583200000000, -0.0000443100000000, -0.0002905400000000 ] - [ 0.0009178500000000, 0.0004435900000000, 0.0004304800000000 ] - [ -0.0008451700000000, -0.0002679800000000, -0.0002854100000000 ] - [ -0.0001745600000000, -0.0001606400000000, -0.0000384200000000 ] - [ -0.0001768900000000, -0.0000905900000000, 0.0001929300000000 ] - [ -0.0162142300000000, -0.0082809300000000, -0.0010164400000000 ] - [ 0.0026792300000000, -0.0006060100000000, -0.0004122600000000 ] - [ -0.1150725400000000, -0.0817125300000000, 0.0510410300000000 ] - [ 0.0024881500000000, 0.0001049300000000, -0.0001265900000000 ] - [ 0.0000969500000000, 0.0002034100000000, -0.0000110000000000 ] - [ 0.0000971900000000, 0.0001686100000000, 0.0001390600000000 ] - [ 0.0002857900000000, 0.0000352600000000, 0.0004190800000000 ] - [ -0.0013733500000000, 0.0004652300000000, -0.0004520000000000 ] - [ -0.0001305200000000, 0.0001104600000000, -0.0002594100000000 ] - [ -0.0001122400000000, 0.0001183600000000, -0.0002511400000000 ] - [ 0.0067930500000000, -0.0015041000000000, 0.0005550700000000 ] - [ 0.0232130700000000, 0.0376459100000000, -0.0212718900000000 ] - [ 0.0005202200000000, 0.0001252500000000, 0.0001499400000000 ] - [ 0.0006591700000000, 0.0001327000000000, 0.0001982300000000 ] - [ -0.0030551100000000, 0.0010609800000000, 0.0010766000000000 ] - [ 0.0008024700000000, -0.0000390900000000, 0.0002078700000000 ] - [ -0.0005776800000000, 0.0001305300000000, -0.0003312400000000 ] - [ -0.0006010600000000, 0.0001328600000000, -0.0003166200000000 ] - [ -0.0157298900000000, -0.0073007200000000, 0.0105983700000000 ] - [ 0.0033607500000000, -0.0003558700000000, 0.0012957200000000 ] - [ 0.0002376500000000, 0.0002996700000000, -0.0004118600000000 ] - [ 0.0002289000000000, 0.0003040300000000, -0.0002772700000000 ] - [ 0.0008152400000000, 0.0001325400000000, 0.0006655300000000 ] - [ -0.0017756600000000, -0.0018868500000000, -0.0015399600000000 ] - [ -0.0001870300000000, 0.0002776800000000, 0.0000010200000000 ] - [ -0.0001592200000000, 0.0002898400000000, 0.0000505300000000 ] - [ -0.0000569100000000, 0.0000810100000000, 0.0001796500000000 ] - [ 0.0000202900000000, 0.0000779900000000, 0.0001780000000000 ] - [ 0.0000638700000000, 0.0000667500000000, -0.0000214200000000 ] - [ -0.0000348000000000, 0.0000713000000000, -0.0000026400000000 ] - [ 0.0002550500000000, 0.0001643500000000, -0.0003645600000000 ] - [ -0.0013432600000000, -0.0028225000000000, 0.0002057800000000 ] - [ -0.0011737600000000, -0.0009438700000000, -0.0037310300000000 ] - [ -0.0019887000000000, 0.0018219700000000, 0.0016548400000000 ] - [ 0.1137279700000000, 0.0723428900000000, -0.0392801400000000 ] - [ -0.0087689500000000, 0.0000101400000000, -0.0005767800000000 ] - [ 0.0000159000000000, 0.0000062500000000, 0.0002921700000000 ] - [ 0.0000371200000000, -0.0000137100000000, 0.0002514400000000 ] - [ 0.0000557200000000, 0.0000236800000000, 0.0003875300000000 ] - [ -0.0001321600000000, -0.0000352200000000, 0.0000703500000000 ] - [ -0.0022279000000000, -0.0005561800000000, -0.0010156700000000 ] - [ 0.0051319300000000, -0.0006465400000000, 0.0011106600000000 ] - [ -0.0013064200000000, 0.0000432900000000, 0.0000411100000000 ] - [ 0.0007686600000000, 0.0002555500000000, -0.0002001700000000 ] - [ 0.0011300600000000, -0.0029566900000000, 0.0019085800000000 ] - [ -0.0023082300000000, 0.0011443100000000, -0.0011792100000000 ] - [ 0.0002885400000000, 0.0000393800000000, 0.0005867400000000 ] - [ 0.0000056500000000, 0.0000191000000000, 0.0004508900000000 ] - [ -0.0000522700000000, 0.0004351100000000, -0.0005319700000000 ] - [ 0.0001595500000000, -0.0000237200000000, 0.0006943700000000 ] - [ -0.0000566400000000, 0.0000856600000000, -0.0002545800000000 ] - [ -0.0002402600000000, 0.0001063900000000, 0.0000577000000000 ] - [ -0.0000381900000000, -0.0001548000000000, 0.0002785100000000 ] - [ -0.0001968300000000, -0.0001533900000000, 0.0002579700000000 ] - [ 0.0015176400000000, 0.0000753100000000, -0.0000201300000000 ] - [ -0.0014621800000000, -0.0002987000000000, -0.0022310700000000 ] - [ -0.0002618800000000, -0.0001846900000000, -0.0000742800000000 ] - [ 0.0005426200000000, -0.0001681200000000, -0.0000973800000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007124700000000, -0.0001303900000000, 0.0003390700000000 ] - [ -0.0012213500000000, 0.0004275200000000, 0.0005979700000000 ] - [ -0.0001826900000000, 0.0000862000000000, -0.0004981500000000 ] - [ -0.0000712000000000, -0.0001241200000000, 0.0000304200000000 ] - [ -0.0002343100000000, 0.0000145200000000, -0.0002827700000000 ] - [ 0.0004027700000000, -0.0001138700000000, -0.0001348200000000 ] - [ 0.0001285800000000, 0.0000574200000000, 0.0001184300000000 ] - [ 0.0001411700000000, -0.0000112300000000, 0.0000356300000000 ] - [ 0.0015156500000000, 0.0002759200000000, 0.0004605200000000 ] - [ -0.0087852200000000, 0.0085277300000000, -0.0022814100000000 ] - [ 0.0000861700000000, -0.0000202000000000, -0.0006027600000000 ] - [ 0.0001903200000000, 0.0000031300000000, -0.0003858400000000 ] - [ -0.0007474700000000, -0.0001660800000000, -0.0007356700000000 ] - [ 0.0002754800000000, 0.0000706200000000, -0.0004339900000000 ] - [ -0.0001453700000000, -0.0000267900000000, 0.0002745200000000 ] - [ -0.0001309000000000, -0.0000223200000000, 0.0002876400000000 ] - [ -0.0008939400000000, 0.0001613800000000, -0.0001236500000000 ] - [ -0.0005865300000000, 0.0001163500000000, 0.0002331100000000 ] - [ -0.0006017700000000, -0.0000771800000000, 0.0001824700000000 ] - [ -0.0008000200000000, -0.0000790200000000, 0.0001524800000000 ] - [ 0.0018116700000000, -0.0009285600000000, 0.0004687800000000 ] - [ -0.0006549300000000, 0.0002443200000000, -0.0000087900000000 ] - [ 0.0000700000000000, 0.0000148800000000, 0.0002374600000000 ] - [ 0.0012575300000000, -0.0001055800000000, -0.0001227100000000 ] - [ -0.0005638100000000, -0.0003081800000000, -0.0006284900000000 ] - [ -0.0005401000000000, -0.0003500700000000, -0.0001217500000000 ] - [ -0.0006200200000000, 0.0004014500000000, 0.0006369500000000 ] - [ -0.0004354000000000, 0.0004096800000000, 0.0007810700000000 ] - [ 0.0007722200000000, -0.0008977700000000, 0.0015380200000000 ] - [ 0.0001992200000000, 0.0000083900000000, -0.0006666500000000 ] - [ 0.0014602200000000, 0.0004791700000000, -0.0006294300000000 ] - [ -0.0003593700000000, 0.0004807000000000, -0.0004239800000000 ] - [ 0.0002034900000000, 0.0009364000000000, 0.0003805000000000 ] - [ 0.0000407600000000, 0.0008388100000000, 0.0006551800000000 ] - [ 0.0000786500000000, -0.0007706400000000, -0.0002895000000000 ] - [ 0.0001409800000000, -0.0007860600000000, -0.0002581900000000 ] - [ -0.0006040600000000, -0.0014476200000000, 0.0009944200000000 ] - [ -0.0012102700000000, 0.0024118900000000, -0.0015626500000000 ] - [ 0.0002395400000000, -0.0005503700000000, 0.0004584700000000 ] - [ -0.0004746200000000, -0.0009927200000000, 0.0004153900000000 ] - [ -0.0002219800000000, -0.0005688800000000, -0.0000147100000000 ] - [ -0.0003469600000000, -0.0008403700000000, 0.0007170600000000 ] - [ -0.0002809500000000, 0.0007566400000000, -0.0002444300000000 ] - [ -0.0002062700000000, 0.0007735800000000, -0.0002039500000000 ] - [ 0.0002160100000000, -0.0012313300000000, -0.0004795600000000 ] - [ -0.0000755200000000, -0.0010786500000000, -0.0010296000000000 ] - [ 0.0004554600000000, 0.0007305900000000, 0.0003192300000000 ] - [ -0.0000955700000000, 0.0010042400000000, 0.0004546900000000 ] - [ 0.0001850100000000, -0.0001278600000000, -0.0000627100000000 ] - [ 0.0001635100000000, -0.0001250100000000, -0.0000523500000000 ] - [ -0.0005939000000000, -0.0002699200000000, -0.0000947700000000 ] - [ 0.0011646700000000, 0.0004411200000000, 0.0006318200000000 ] - [ -0.0001465100000000, -0.0000050000000000, 0.0003888000000000 ] - [ -0.0001461000000000, -0.0000790300000000, 0.0001534100000000 ] - [ 0.0158437500000000, 0.0082465700000000, 0.0007379400000000 ] - [ -0.0030072500000000, 0.0007800300000000, 0.0000720900000000 ] - [ 0.1153710200000000, 0.0799983200000000, -0.0506095100000000 ] - [ -0.0022757000000000, -0.0003954100000000, -0.0001903600000000 ] - [ 0.0001210800000000, 0.0000806200000000, 0.0003327100000000 ] - [ 0.0001216300000000, 0.0001148100000000, 0.0001822800000000 ] - [ -0.0004989000000000, -0.0003289500000000, -0.0001073300000000 ] - [ 0.0011504300000000, -0.0007649500000000, 0.0007679000000000 ] - [ -0.0000845000000000, 0.0001828800000000, -0.0000522300000000 ] - [ -0.0001052500000000, 0.0001685800000000, -0.0000642000000000 ] - [ -0.0056526900000000, 0.0012717500000000, -0.0010589700000000 ] - [ -0.0212889700000000, -0.0371009800000000, 0.0203126200000000 ] - [ 0.0006609800000000, 0.0001309900000000, 0.0003433300000000 ] - [ 0.0005213600000000, 0.0001246100000000, 0.0002943900000000 ] - [ 0.0018814600000000, -0.0013294800000000, -0.0005912900000000 ] - [ -0.0019897600000000, -0.0002180900000000, 0.0002791700000000 ] - [ -0.0006048800000000, 0.0001251900000000, -0.0001578100000000 ] - [ -0.0005802500000000, 0.0001231400000000, -0.0001720100000000 ] - [ 0.0161026800000000, 0.0065260400000000, -0.0100741800000000 ] - [ -0.0029576400000000, -0.0002285600000000, -0.0009197100000000 ] - [ 0.0001737300000000, 0.0002828900000000, 0.0000201300000000 ] - [ 0.0001804800000000, 0.0002796900000000, -0.0001107400000000 ] - [ -0.0012293000000000, -0.0007210800000000, -0.0010646600000000 ] - [ 0.0013560300000000, 0.0012915100000000, 0.0011458200000000 ] - [ -0.0002229300000000, 0.0003047400000000, 0.0003893900000000 ] - [ -0.0002525900000000, 0.0002932200000000, 0.0003446800000000 ] - [ 0.0000236100000000, 0.0000641400000000, 0.0000108400000000 ] - [ -0.0000540800000000, 0.0000674100000000, 0.0000114400000000 ] - [ -0.0000304200000000, 0.0000789700000000, -0.0001713500000000 ] - [ 0.0000686800000000, 0.0000743500000000, -0.0001900800000000 ] - [ -0.0002527900000000, -0.0003006800000000, 0.0005605500000000 ] - [ 0.0013904500000000, 0.0026712200000000, -0.0000115300000000 ] - [ 0.0010756300000000, 0.0007792500000000, 0.0035012700000000 ] - [ 0.0019605700000000, -0.0019586100000000, -0.0018384700000000 ] - [ -0.1142417300000000, -0.0712037600000000, 0.0386645000000000 ] - [ 0.0087215900000000, -0.0000138200000000, 0.0005966000000000 ] - [ 0.0000504100000000, 0.0000048000000000, -0.0002818200000000 ] - [ 0.0000314000000000, 0.0000248500000000, -0.0002400700000000 ] - [ -0.0001248100000000, -0.0000126400000000, -0.0004099700000000 ] - [ 0.0000650900000000, 0.0000467800000000, -0.0000916800000000 ] - [ 0.0022975200000000, 0.0005516700000000, 0.0010148900000000 ] - [ -0.0050765500000000, 0.0006443600000000, -0.0011228400000000 ] - [ 0.0010195400000000, -0.0000027700000000, -0.0006118500000000 ] - [ -0.0010636800000000, -0.0002187000000000, -0.0003485700000000 ] - [ -0.0014276900000000, 0.0029417300000000, -0.0013528100000000 ] - [ 0.0020209300000000, -0.0011751600000000, 0.0017413000000000 ] - [ 0.0000049900000000, 0.0000022100000000, -0.0000340000000000 ] - [ 0.0002866900000000, 0.0000223400000000, 0.0001065500000000 ] - [ 0.0003246400000000, -0.0004859200000000, -0.0000419200000000 ] - [ 0.0001539000000000, -0.0000188500000000, -0.0012530500000000 ] - [ -0.0001894300000000, 0.0002100200000000, -0.0000739400000000 ] - [ 0.0000011100000000, 0.0001878200000000, -0.0003862100000000 ] - [ -0.0002039500000000, -0.0001393100000000, 0.0000470400000000 ] - [ -0.0000464600000000, -0.0001403600000000, 0.0000686900000000 ] - [ -0.0013655700000000, 0.0002663500000000, 0.0004548300000000 ] - [ 0.0017082200000000, 0.0005907500000000, 0.0025520300000000 ] - [ 0.0005051200000000, -0.0001089200000000, -0.0002567200000000 ] - [ -0.0003013900000000, -0.0001254100000000, -0.0002333100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002894900000000, -0.0004885000000000, -0.0002712400000000 ] - [ -0.0018047300000000, -0.0038710000000000, -0.0054714800000000 ] - [ -0.0000823700000000, -0.0002045500000000, 0.0001428200000000 ] - [ -0.0001615300000000, -0.0001352200000000, 0.0000181900000000 ] - [ -0.0000708900000000, 0.0010340500000000, 0.0000697700000000 ] - [ 0.0000687600000000, 0.0002533000000000, -0.0002425000000000 ] - [ 0.0001296200000000, 0.0001254400000000, 0.0004298300000000 ] - [ 0.0001253400000000, 0.0001178400000000, 0.0004095100000000 ] - [ -0.0007184700000000, 0.0001176900000000, -0.0001173700000000 ] - [ -0.0073036300000000, 0.0135605200000000, -0.0039862800000000 ] - [ 0.0001550600000000, 0.0000377500000000, -0.0001512400000000 ] - [ 0.0001227700000000, 0.0000454400000000, -0.0002101300000000 ] - [ -0.0010144300000000, -0.0021359300000000, 0.0028338500000000 ] - [ -0.0002007200000000, -0.0002047500000000, -0.0003332500000000 ] - [ -0.0001352400000000, -0.0000382600000000, 0.0005875000000000 ] - [ -0.0001411000000000, -0.0000336000000000, 0.0005771400000000 ] - [ -0.0011013600000000, -0.0000604900000000, -0.0002072100000000 ] - [ 0.0003282600000000, -0.0001328800000000, -0.0010420000000000 ] - [ -0.0007521000000000, -0.0001109600000000, -0.0000342100000000 ] - [ -0.0007696300000000, -0.0001145300000000, -0.0000420400000000 ] - [ 0.0026698600000000, 0.0052343100000000, -0.0016804800000000 ] - [ 0.0001402900000000, 0.0012643100000000, 0.0002832200000000 ] - [ 0.0008094900000000, -0.0000750000000000, -0.0001489700000000 ] - [ 0.0008758200000000, -0.0001667900000000, 0.0002310500000000 ] - [ -0.0006122200000000, -0.0006382100000000, -0.0012518700000000 ] - [ -0.0002121400000000, -0.0005258600000000, -0.0011875600000000 ] - [ -0.0005419200000000, 0.0003031200000000, 0.0003614600000000 ] - [ -0.0005275400000000, 0.0002901900000000, 0.0004217900000000 ] - [ 0.0011669700000000, 0.0005657800000000, -0.0005788600000000 ] - [ 0.0003585900000000, 0.0008166400000000, 0.0000262600000000 ] - [ 0.0005070800000000, -0.0003632600000000, 0.0009977000000000 ] - [ 0.0006721200000000, 0.0004284700000000, -0.0004527800000000 ] - [ -0.0006356000000000, 0.0005570200000000, -0.0007365800000000 ] - [ 0.0004021900000000, 0.0009044900000000, 0.0001541500000000 ] - [ 0.0001562500000000, -0.0008091400000000, -0.0004863200000000 ] - [ 0.0001585900000000, -0.0007913600000000, -0.0004799700000000 ] - [ 0.0013380300000000, 0.0032777300000000, -0.0018985500000000 ] - [ -0.0032702200000000, 0.0037036500000000, -0.0020487300000000 ] - [ -0.0003822100000000, -0.0014481800000000, 0.0005035300000000 ] - [ -0.0000599400000000, -0.0008364600000000, 0.0002945000000000 ] - [ -0.0007070400000000, -0.0013485500000000, -0.0002137800000000 ] - [ 0.0000690100000000, -0.0011314200000000, 0.0002038600000000 ] - [ -0.0002272700000000, 0.0007752100000000, -0.0004789000000000 ] - [ -0.0002255300000000, 0.0007650200000000, -0.0004605800000000 ] - [ 0.0007932900000000, 0.0021878200000000, 0.0013664100000000 ] - [ 0.0012614400000000, 0.0020205000000000, 0.0008363900000000 ] - [ 0.0000675800000000, 0.0010019400000000, 0.0005535500000000 ] - [ 0.0002550900000000, 0.0008488300000000, 0.0002394100000000 ] - [ 0.0001273500000000, -0.0000044100000000, -0.0004521200000000 ] - [ 0.0001332900000000, -0.0000055700000000, -0.0004375700000000 ] - [ 0.0004901600000000, 0.0000841400000000, 0.0006659000000000 ] - [ -0.0003509900000000, -0.0000498300000000, 0.0021606900000000 ] - [ -0.0001906700000000, -0.0001683600000000, -0.0001623600000000 ] - [ -0.0002084700000000, -0.0001447100000000, -0.0001143000000000 ] - [ 0.0071662000000000, 0.0505308400000000, -0.0066451600000000 ] - [ 0.0005375100000000, 0.0001910700000000, 0.0003608700000000 ] - [ -0.0843540700000000, -0.3573568100000000, 0.1538992700000000 ] - [ 0.0003623200000000, -0.0011969900000000, 0.0007121200000000 ] - [ 0.0000838400000000, 0.0001900800000000, -0.0001149200000000 ] - [ 0.0000499700000000, 0.0001891900000000, -0.0001023100000000 ] - [ -0.0002924500000000, 0.0006519300000000, 0.0006324800000000 ] - [ -0.0007231800000000, 0.0040774700000000, 0.0023403000000000 ] - [ -0.0001453100000000, 0.0001023800000000, -0.0003910100000000 ] - [ -0.0001356500000000, 0.0001046400000000, -0.0003749700000000 ] - [ 0.0006704100000000, -0.0014366500000000, 0.0004505600000000 ] - [ 0.0136410200000000, -0.0002582800000000, -0.0087708400000000 ] - [ 0.0006031200000000, 0.0001250100000000, 0.0000234000000000 ] - [ 0.0005970500000000, 0.0001268500000000, 0.0000555900000000 ] - [ -0.0011414300000000, 0.0030307400000000, 0.0027426200000000 ] - [ -0.0004029800000000, 0.0000534000000000, 0.0006337000000000 ] - [ -0.0005949000000000, 0.0001390200000000, -0.0004256000000000 ] - [ -0.0005805100000000, 0.0001373600000000, -0.0004193900000000 ] - [ 0.0047885400000000, 0.0034159600000000, -0.0203380700000000 ] - [ 0.0012792100000000, -0.0004582700000000, 0.0008728200000000 ] - [ 0.0002938700000000, 0.0003052000000000, -0.0006035200000000 ] - [ 0.0002811600000000, 0.0003118600000000, -0.0005687500000000 ] - [ 0.0004594600000000, 0.0003758600000000, 0.0009082100000000 ] - [ -0.0021036800000000, 0.0076923500000000, 0.0049815200000000 ] - [ -0.0001424000000000, 0.0002749600000000, -0.0001673800000000 ] - [ -0.0001273000000000, 0.0002809300000000, -0.0001427600000000 ] - [ -0.0000305400000000, 0.0001202900000000, 0.0002916100000000 ] - [ -0.0000183500000000, 0.0001236100000000, 0.0002949700000000 ] - [ 0.0000165500000000, 0.0000092500000000, 0.0000749400000000 ] - [ -0.0000007100000000, 0.0000204600000000, 0.0000918500000000 ] - [ 0.0032186100000000, -0.0027803300000000, 0.0008363700000000 ] - [ -0.0014931300000000, -0.0028485400000000, 0.0002036900000000 ] - [ -0.0019720800000000, 0.0028744200000000, -0.0042192400000000 ] - [ 0.0002168100000000, 0.0020701000000000, -0.0003685800000000 ] - [ 0.0734177500000000, 0.2762990800000000, -0.1099422700000000 ] - [ -0.0013720700000000, 0.0008083600000000, -0.0017985500000000 ] - [ 0.0000381800000000, -0.0000335900000000, 0.0006085200000000 ] - [ 0.0000161000000000, -0.0000342600000000, 0.0005707300000000 ] - [ -0.0000608800000000, 0.0000417200000000, 0.0006792900000000 ] - [ -0.0000381600000000, 0.0000058200000000, 0.0006201100000000 ] - [ -0.0005596700000000, -0.0008373100000000, -0.0017310400000000 ] - [ 0.0015007000000000, -0.0062454800000000, -0.0092790100000000 ] - [ -0.0003009100000000, 0.0000029300000000, -0.0003029800000000 ] - [ 0.0001710400000000, 0.0005768500000000, -0.0013808400000000 ] - [ -0.0038205800000000, -0.0065043300000000, 0.0014993300000000 ] - [ 0.0011804000000000, -0.0059922400000000, 0.0004978600000000 ] - [ 0.0001540100000000, 0.0000557800000000, 0.0005912500000000 ] - [ 0.0001622800000000, 0.0000745500000000, 0.0006214500000000 ] - [ 0.0012441600000000, 0.0009012900000000, 0.0011132500000000 ] - [ -0.0013245200000000, 0.0003110900000000, 0.0005978100000000 ] - [ -0.0001480200000000, -0.0000360000000000, -0.0003632700000000 ] - [ -0.0000489100000000, 0.0000143500000000, -0.0002526800000000 ] - [ -0.0001252800000000, -0.0001931300000000, 0.0005017400000000 ] - [ -0.0001046600000000, -0.0001899600000000, 0.0004283100000000 ] - [ -0.0011423100000000, 0.0044573400000000, 0.0011235900000000 ] - [ 0.0002022300000000, 0.0014591500000000, -0.0009731400000000 ] - [ 0.0000067200000000, -0.0001156800000000, 0.0001880200000000 ] - [ 0.0002606000000000, -0.0002991100000000, 0.0006388800000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000321700000000, 0.0004304300000000, 0.0006082200000000 ] - [ 0.0015226000000000, 0.0038126400000000, 0.0057601300000000 ] - [ -0.0001777400000000, 0.0002738100000000, -0.0004818000000000 ] - [ -0.0000984200000000, 0.0002027600000000, -0.0003551400000000 ] - [ 0.0003327400000000, -0.0011033900000000, -0.0004044400000000 ] - [ 0.0001917800000000, -0.0003201200000000, -0.0000949100000000 ] - [ 0.0001304700000000, -0.0000597500000000, -0.0000929400000000 ] - [ 0.0001345100000000, -0.0000520800000000, -0.0000729700000000 ] - [ 0.0009990900000000, -0.0000783800000000, 0.0008647900000000 ] - [ 0.0082375100000000, -0.0146120700000000, 0.0052267000000000 ] - [ 0.0001253500000000, -0.0000843200000000, -0.0005931300000000 ] - [ 0.0001579600000000, -0.0000923400000000, -0.0005339700000000 ] - [ 0.0007430300000000, 0.0021879500000000, -0.0035966400000000 ] - [ -0.0000747700000000, 0.0002516500000000, -0.0004150800000000 ] - [ -0.0001453000000000, -0.0000049500000000, 0.0001577000000000 ] - [ -0.0001389700000000, -0.0000098600000000, 0.0001689400000000 ] - [ -0.0003535200000000, 0.0002317500000000, 0.0000332300000000 ] - [ -0.0017870700000000, 0.0003048200000000, 0.0008692800000000 ] - [ -0.0007026200000000, -0.0000594300000000, 0.0002083700000000 ] - [ -0.0006852900000000, -0.0000564900000000, 0.0002163800000000 ] - [ -0.0012351700000000, -0.0050705500000000, 0.0018837700000000 ] - [ 0.0013175400000000, -0.0010908700000000, -0.0001085300000000 ] - [ 0.0006440900000000, -0.0000977400000000, -0.0000296200000000 ] - [ 0.0005808700000000, -0.0000047400000000, -0.0004074500000000 ] - [ -0.0004605300000000, -0.0001349100000000, 0.0001646100000000 ] - [ -0.0008603800000000, -0.0002476900000000, 0.0000991700000000 ] - [ -0.0005303100000000, 0.0004714300000000, 0.0007285800000000 ] - [ -0.0005450500000000, 0.0004844500000000, 0.0006626800000000 ] - [ -0.0001008500000000, -0.0013414800000000, 0.0016868400000000 ] - [ 0.0007141800000000, -0.0015895700000000, 0.0010725700000000 ] - [ 0.0005621000000000, 0.0011226500000000, -0.0021053500000000 ] - [ 0.0004023000000000, 0.0003419800000000, -0.0006437700000000 ] - [ 0.0008840400000000, 0.0010202800000000, 0.0014369300000000 ] - [ -0.0001539400000000, 0.0006728600000000, 0.0005437400000000 ] - [ 0.0000915800000000, -0.0007700100000000, -0.0002112700000000 ] - [ 0.0000892200000000, -0.0007872700000000, -0.0002180200000000 ] - [ -0.0016053400000000, -0.0016891700000000, 0.0012082000000000 ] - [ 0.0030230200000000, -0.0021085400000000, 0.0013520300000000 ] - [ 0.0001340400000000, -0.0001297400000000, 0.0001915900000000 ] - [ -0.0001855700000000, -0.0007396900000000, 0.0004007700000000 ] - [ 0.0002501800000000, -0.0002251900000000, 0.0008472900000000 ] - [ -0.0005234900000000, -0.0004427400000000, 0.0004284700000000 ] - [ -0.0002274900000000, 0.0008011600000000, -0.0001534800000000 ] - [ -0.0002311200000000, 0.0008081400000000, -0.0001701100000000 ] - [ -0.0003555600000000, -0.0037712900000000, -0.0019939200000000 ] - [ -0.0007933400000000, -0.0035941500000000, -0.0014621500000000 ] - [ 0.0003907200000000, 0.0005676700000000, 0.0000733000000000 ] - [ 0.0002017500000000, 0.0007248700000000, 0.0003916900000000 ] - [ 0.0001988100000000, -0.0001773600000000, 0.0001179800000000 ] - [ 0.0001918700000000, -0.0001722500000000, 0.0001012800000000 ] - [ -0.0001613500000000, 0.0001049600000000, -0.0003357100000000 ] - [ 0.0006837400000000, 0.0002410100000000, -0.0018443900000000 ] - [ -0.0001343400000000, -0.0000087800000000, 0.0005006000000000 ] - [ -0.0001173300000000, -0.0000355200000000, 0.0004489500000000 ] - [ -0.0073597100000000, -0.0487096700000000, 0.0061964200000000 ] - [ -0.0008562400000000, -0.0000210100000000, -0.0007021300000000 ] - [ 0.0774702000000000, 0.3435546100000000, -0.1455939400000000 ] - [ -0.0001394500000000, 0.0009133100000000, -0.0010270400000000 ] - [ 0.0001350100000000, 0.0000991600000000, 0.0004300500000000 ] - [ 0.0001702700000000, 0.0000987400000000, 0.0004175300000000 ] - [ 0.0000732100000000, -0.0009467500000000, -0.0003210500000000 ] - [ 0.0005092500000000, -0.0043931100000000, -0.0020460100000000 ] - [ -0.0000719400000000, 0.0001910500000000, 0.0000788100000000 ] - [ -0.0000831300000000, 0.0001841500000000, 0.0000603600000000 ] - [ 0.0005486400000000, 0.0011680400000000, -0.0009355800000000 ] - [ -0.0123646000000000, -0.0001928800000000, 0.0082071700000000 ] - [ 0.0005809500000000, 0.0001331900000000, 0.0004663200000000 ] - [ 0.0005865500000000, 0.0001320800000000, 0.0004333700000000 ] - [ -0.0000428900000000, -0.0032971900000000, -0.0022838200000000 ] - [ -0.0007826800000000, -0.0003120300000000, -0.0001467800000000 ] - [ -0.0005895100000000, 0.0001186600000000, -0.0000640700000000 ] - [ -0.0006022400000000, 0.0001205500000000, -0.0000698300000000 ] - [ -0.0043311900000000, -0.0041736300000000, 0.0205452500000000 ] - [ -0.0008643000000000, -0.0001249500000000, -0.0004881800000000 ] - [ 0.0001142500000000, 0.0002795000000000, 0.0002203900000000 ] - [ 0.0001258800000000, 0.0002736000000000, 0.0001883700000000 ] - [ -0.0008726300000000, -0.0009593100000000, -0.0012916100000000 ] - [ 0.0017402300000000, -0.0083251500000000, -0.0054027600000000 ] - [ -0.0002636200000000, 0.0003090300000000, 0.0005425600000000 ] - [ -0.0002796200000000, 0.0003036200000000, 0.0005216000000000 ] - [ -0.0000023400000000, 0.0000251600000000, -0.0001009600000000 ] - [ -0.0000145900000000, 0.0000215800000000, -0.0001034300000000 ] - [ 0.0000167400000000, 0.0001367400000000, -0.0002653600000000 ] - [ 0.0000338000000000, 0.0001248600000000, -0.0002814600000000 ] - [ -0.0031603800000000, 0.0026497900000000, -0.0006286700000000 ] - [ 0.0015177100000000, 0.0027194900000000, -0.0000087800000000 ] - [ 0.0019083400000000, -0.0030619000000000, 0.0039892700000000 ] - [ -0.0002485100000000, -0.0022271600000000, 0.0001714200000000 ] - [ -0.0673262900000000, -0.2628837800000000, 0.1012303600000000 ] - [ 0.0012729600000000, -0.0008251000000000, 0.0018189600000000 ] - [ 0.0000281900000000, 0.0000451900000000, -0.0005910800000000 ] - [ 0.0000508800000000, 0.0000460000000000, -0.0005531100000000 ] - [ -0.0000064000000000, -0.0000310300000000, -0.0006959000000000 ] - [ -0.0000286200000000, 0.0000060100000000, -0.0006357300000000 ] - [ 0.0006283800000000, 0.0008230700000000, 0.0017253200000000 ] - [ -0.0014519400000000, 0.0062394200000000, 0.0093485600000000 ] - [ 0.0000033600000000, 0.0000397700000000, -0.0002467200000000 ] - [ -0.0004650500000000, -0.0005350700000000, 0.0008438300000000 ] - [ 0.0035709800000000, 0.0064616300000000, -0.0009699900000000 ] - [ -0.0014821600000000, 0.0059387100000000, 0.0000489900000000 ] - [ 0.0001408700000000, -0.0000144400000000, -0.0000298800000000 ] - [ 0.0001317800000000, -0.0000336000000000, -0.0000624100000000 ] - [ -0.0009496700000000, -0.0009443200000000, -0.0016747000000000 ] - [ 0.0016210600000000, -0.0003529200000000, -0.0011573000000000 ] - [ -0.0000926300000000, 0.0003297700000000, 0.0000396300000000 ] - [ -0.0001952000000000, 0.0002795900000000, -0.0000718100000000 ] - [ -0.0001170700000000, -0.0001006100000000, -0.0001750800000000 ] - [ -0.0001378500000000, -0.0001036600000000, -0.0001018300000000 ] - [ 0.0013454900000000, -0.0041569300000000, -0.0007535100000000 ] - [ 0.0000573700000000, -0.0011588200000000, 0.0013117900000000 ] - [ 0.0002373500000000, -0.0001792100000000, -0.0005164600000000 ] - [ -0.0000196400000000, 0.0000033800000000, -0.0009693900000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004102700000000, 0.0001985700000000, 0.0011390800000000 ] - [ -0.0006475300000000, 0.0000149400000000, 0.0016794700000000 ] - [ 0.0001000600000000, -0.0000280800000000, -0.0008726700000000 ] - [ -0.0002574800000000, -0.0001310800000000, -0.0006256200000000 ] - [ 0.0004629700000000, -0.0009047300000000, -0.0015887300000000 ] - [ 0.0000289600000000, -0.0003387300000000, -0.0002009200000000 ] - [ 0.0001201200000000, -0.0001031800000000, -0.0006418800000000 ] - [ 0.0001990500000000, -0.0000466200000000, -0.0005256500000000 ] - [ 0.0007472600000000, -0.0000585200000000, 0.0018724400000000 ] - [ 0.0025240000000000, -0.0039065000000000, 0.0056779300000000 ] - [ 0.0003312200000000, 0.0000010600000000, -0.0012557200000000 ] - [ -0.0000081100000000, 0.0000636100000000, -0.0010898500000000 ] - [ 0.0016702100000000, 0.0021833100000000, -0.0047533400000000 ] - [ -0.0002980100000000, 0.0001195800000000, 0.0000044000000000 ] - [ -0.0001661700000000, -0.0000461500000000, -0.0003641900000000 ] - [ -0.0000986200000000, -0.0000438400000000, -0.0003346800000000 ] - [ 0.0003100600000000, 0.0001566300000000, 0.0002211000000000 ] - [ -0.0026017700000000, 0.0003003200000000, 0.0014106800000000 ] - [ -0.0005144500000000, -0.0000148000000000, 0.0007668600000000 ] - [ -0.0005699700000000, -0.0000332600000000, 0.0006346900000000 ] - [ -0.0006388300000000, -0.0024740900000000, 0.0008250600000000 ] - [ 0.0016489900000000, -0.0005752900000000, -0.0004366400000000 ] - [ 0.0001462700000000, 0.0000173500000000, 0.0005006500000000 ] - [ 0.0017386800000000, -0.0000986500000000, 0.0008381800000000 ] - [ -0.0002761900000000, -0.0000647600000000, 0.0013812500000000 ] - [ -0.0010665800000000, -0.0001873300000000, 0.0007833400000000 ] - [ -0.0004419000000000, 0.0005511900000000, 0.0014935000000000 ] - [ -0.0005356900000000, 0.0006250700000000, 0.0019116300000000 ] - [ 0.0000706900000000, -0.0008131100000000, 0.0013924300000000 ] - [ 0.0008395300000000, -0.0010038400000000, 0.0006726700000000 ] - [ 0.0013181600000000, 0.0015600100000000, 0.0020993000000000 ] - [ -0.0000590300000000, 0.0005367900000000, -0.0001186100000000 ] - [ 0.0014690900000000, 0.0011992500000000, 0.0023335400000000 ] - [ -0.0003869900000000, 0.0006560400000000, 0.0005754000000000 ] - [ 0.0000322500000000, -0.0006723500000000, 0.0001861800000000 ] - [ -0.0000632000000000, -0.0005997600000000, 0.0003191500000000 ] - [ -0.0015635000000000, -0.0008402100000000, -0.0000592600000000 ] - [ 0.0021398400000000, -0.0015483800000000, 0.0001189400000000 ] - [ -0.0000885900000000, -0.0007117300000000, 0.0014801900000000 ] - [ -0.0003525900000000, -0.0009612200000000, 0.0007070200000000 ] - [ 0.0008152600000000, -0.0007715000000000, 0.0019139600000000 ] - [ -0.0008038900000000, -0.0005999400000000, 0.0005491200000000 ] - [ -0.0002788300000000, 0.0006775000000000, 0.0003191500000000 ] - [ -0.0003806000000000, 0.0005805800000000, 0.0004609400000000 ] - [ -0.0007485300000000, -0.0018034200000000, -0.0013555500000000 ] - [ 0.0002034200000000, -0.0021617900000000, -0.0014714300000000 ] - [ 0.0000051000000000, 0.0013940200000000, 0.0016868900000000 ] - [ -0.0000245100000000, 0.0010664900000000, 0.0008012700000000 ] - [ 0.0002735400000000, -0.0004423300000000, 0.0008065000000000 ] - [ 0.0002642400000000, -0.0004063800000000, 0.0006949000000000 ] - [ 0.0005035000000000, 0.0006219300000000, -0.0005773500000000 ] - [ -0.0001840500000000, 0.0015434800000000, -0.0005201900000000 ] - [ -0.0001317300000000, 0.0002270200000000, 0.0010087000000000 ] - [ 0.0000233100000000, 0.0002377800000000, 0.0009836700000000 ] - [ -0.0007234100000000, 0.0101268900000000, -0.0179731000000000 ] - [ -0.0003553000000000, -0.0004635400000000, -0.0016827400000000 ] - [ 0.0503088300000000, 0.1472691600000000, -0.1548431400000000 ] - [ 0.0001387300000000, 0.0007269700000000, -0.0016853700000000 ] - [ 0.0001292400000000, -0.0001167400000000, 0.0009118300000000 ] - [ 0.0002807200000000, -0.0001295300000000, 0.0009119100000000 ] - [ 0.0001536600000000, -0.0006212700000000, -0.0006069600000000 ] - [ -0.0007146600000000, -0.0023316000000000, -0.0008621500000000 ] - [ -0.0000037700000000, 0.0003822600000000, 0.0006660400000000 ] - [ -0.0000146200000000, 0.0003619700000000, 0.0005776100000000 ] - [ 0.0009613000000000, 0.0000505500000000, -0.0022236900000000 ] - [ -0.0074612700000000, -0.0097240700000000, -0.0119238400000000 ] - [ 0.0005150000000000, 0.0001518000000000, 0.0008744600000000 ] - [ 0.0006509200000000, 0.0001449400000000, 0.0008008200000000 ] - [ -0.0005745700000000, 0.0002753400000000, -0.0008881700000000 ] - [ -0.0008940200000000, -0.0001457300000000, -0.0004701800000000 ] - [ -0.0006176300000000, 0.0000974400000000, 0.0003808300000000 ] - [ -0.0005822200000000, 0.0000989200000000, 0.0003745200000000 ] - [ -0.0059288800000000, -0.0407678800000000, 0.0308107900000000 ] - [ -0.0006281900000000, -0.0001292300000000, -0.0015650700000000 ] - [ -0.0000507300000000, 0.0002327500000000, 0.0010507600000000 ] - [ -0.0000170800000000, 0.0002323200000000, 0.0010168400000000 ] - [ -0.0005935900000000, -0.0004449000000000, -0.0022098800000000 ] - [ -0.0007456700000000, -0.0001601500000000, -0.0041369400000000 ] - [ -0.0005058900000000, 0.0003435900000000, 0.0015725500000000 ] - [ -0.0004146800000000, 0.0003405000000000, 0.0014063900000000 ] - [ 0.0000068000000000, -0.0000080600000000, -0.0005330000000000 ] - [ -0.0000154900000000, 0.0000067800000000, -0.0006045900000000 ] - [ 0.0000065500000000, 0.0001207000000000, -0.0008382300000000 ] - [ 0.0000485900000000, 0.0001495800000000, -0.0006950100000000 ] - [ -0.0009910100000000, 0.0010654500000000, 0.0025473500000000 ] - [ 0.0008868200000000, 0.0010689800000000, 0.0011883200000000 ] - [ -0.0026034400000000, -0.0022418500000000, 0.0020761800000000 ] - [ 0.0012407400000000, -0.0007735400000000, 0.0004687100000000 ] - [ -0.0367494300000000, -0.1014170300000000, 0.1442307100000000 ] - [ 0.0004088400000000, -0.0005260200000000, 0.0032508600000000 ] - [ 0.0001055000000000, 0.0001064200000000, -0.0021932200000000 ] - [ 0.0000572900000000, 0.0000873900000000, -0.0019555000000000 ] - [ 0.0001271400000000, -0.0000177300000000, -0.0019885400000000 ] - [ -0.0000948400000000, -0.0000019300000000, -0.0019471100000000 ] - [ 0.0003698000000000, -0.0000122200000000, 0.0027957900000000 ] - [ 0.0004774900000000, -0.0000596800000000, 0.0056355300000000 ] - [ 0.0008230400000000, -0.0000968100000000, -0.0012956900000000 ] - [ -0.0011800400000000, -0.0002612300000000, -0.0044962000000000 ] - [ 0.0024564100000000, 0.0030037300000000, -0.0006823500000000 ] - [ -0.0015109400000000, 0.0033892800000000, 0.0006536600000000 ] - [ 0.0001819400000000, -0.0000826700000000, -0.0018100200000000 ] - [ 0.0001131600000000, -0.0000686800000000, -0.0012753000000000 ] - [ -0.0023900700000000, -0.0007041800000000, -0.0036047300000000 ] - [ 0.0026203800000000, -0.0002803100000000, -0.0019547000000000 ] - [ -0.0004782100000000, 0.0002892300000000, -0.0005900000000000 ] - [ 0.0002105000000000, 0.0002130300000000, -0.0005689000000000 ] - [ -0.0000827700000000, -0.0000692000000000, -0.0007512300000000 ] - [ -0.0002161200000000, -0.0000599200000000, -0.0005995600000000 ] - [ 0.0002703400000000, 0.0000727000000000, 0.0024828900000000 ] - [ -0.0017570200000000, -0.0008145200000000, 0.0011889500000000 ] - [ 0.0002795600000000, -0.0001399900000000, -0.0006728400000000 ] - [ -0.0001425200000000, 0.0001205500000000, -0.0012042800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006701900000000, -0.0002626500000000, -0.0007966100000000 ] - [ 0.0003956500000000, -0.0000687500000000, -0.0012984900000000 ] - [ -0.0003589300000000, 0.0000905200000000, 0.0005349700000000 ] - [ -0.0000037500000000, 0.0001934200000000, 0.0002883800000000 ] - [ -0.0002056500000000, 0.0008458700000000, 0.0012518900000000 ] - [ 0.0002334800000000, 0.0002751100000000, -0.0001397800000000 ] - [ 0.0001402300000000, 0.0001691500000000, 0.0009774000000000 ] - [ 0.0000611400000000, 0.0001117500000000, 0.0008597700000000 ] - [ -0.0004692900000000, 0.0001007500000000, -0.0011201900000000 ] - [ -0.0022164900000000, 0.0038388300000000, -0.0049655800000000 ] - [ -0.0000502600000000, -0.0000442800000000, 0.0005054100000000 ] - [ 0.0002866700000000, -0.0001074000000000, 0.0003412700000000 ] - [ -0.0019613900000000, -0.0021468200000000, 0.0040085600000000 ] - [ 0.0000261600000000, -0.0000774700000000, -0.0007567200000000 ] - [ -0.0001137500000000, 0.0000046400000000, 0.0011085100000000 ] - [ -0.0001805600000000, 0.0000022000000000, 0.0010795300000000 ] - [ -0.0017710400000000, 0.0000121900000000, -0.0003924900000000 ] - [ 0.0011515400000000, -0.0001310500000000, -0.0015841800000000 ] - [ -0.0009378200000000, -0.0001540300000000, -0.0005921900000000 ] - [ -0.0008857200000000, -0.0001364000000000, -0.0004604900000000 ] - [ 0.0020982300000000, 0.0026231200000000, -0.0006553100000000 ] - [ -0.0001907400000000, 0.0007388500000000, 0.0006039100000000 ] - [ 0.0012995600000000, -0.0001858300000000, -0.0006726800000000 ] - [ -0.0002758800000000, -0.0000708200000000, -0.0010066100000000 ] - [ -0.0007985700000000, -0.0007123400000000, -0.0024797500000000 ] - [ -0.0000042100000000, -0.0005878200000000, -0.0018759600000000 ] - [ -0.0006315100000000, 0.0002246700000000, -0.0003901700000000 ] - [ -0.0005365100000000, 0.0001508500000000, -0.0008131900000000 ] - [ 0.0010021100000000, 0.0000365600000000, -0.0002982800000000 ] - [ 0.0002343300000000, 0.0002238800000000, 0.0004223800000000 ] - [ -0.0002417000000000, -0.0007654200000000, -0.0031898600000000 ] - [ 0.0011274800000000, 0.0002410300000000, -0.0009814600000000 ] - [ -0.0012227800000000, 0.0003881800000000, -0.0016386900000000 ] - [ 0.0006421200000000, 0.0009356800000000, 0.0001322500000000 ] - [ 0.0002203700000000, -0.0009184500000000, -0.0008889600000000 ] - [ 0.0003157600000000, -0.0009892700000000, -0.0010214500000000 ] - [ 0.0013035800000000, 0.0024210900000000, -0.0006438500000000 ] - [ -0.0023805200000000, 0.0031225900000000, -0.0008257900000000 ] - [ -0.0001631000000000, -0.0008752900000000, -0.0007717200000000 ] - [ 0.0001009000000000, -0.0006277800000000, -0.0000040300000000 ] - [ -0.0012748600000000, -0.0008118100000000, -0.0012797000000000 ] - [ 0.0003498800000000, -0.0009822000000000, 0.0000920000000000 ] - [ -0.0001779000000000, 0.0009016500000000, -0.0009537200000000 ] - [ -0.0000780300000000, 0.0009937100000000, -0.0010918200000000 ] - [ 0.0012043600000000, 0.0002095200000000, 0.0007036000000000 ] - [ 0.0002450700000000, 0.0005666000000000, 0.0008197000000000 ] - [ 0.0004494400000000, 0.0001882300000000, -0.0010440900000000 ] - [ 0.0004796900000000, 0.0005153200000000, -0.0001638000000000 ] - [ 0.0000494800000000, 0.0002679400000000, -0.0011476200000000 ] - [ 0.0000572900000000, 0.0002375800000000, -0.0010388100000000 ] - [ -0.0001813100000000, -0.0004473600000000, 0.0009214200000000 ] - [ 0.0005089100000000, -0.0013777700000000, 0.0008743300000000 ] - [ -0.0001896800000000, -0.0003926500000000, -0.0006604900000000 ] - [ -0.0003450600000000, -0.0004070800000000, -0.0006387600000000 ] - [ 0.0003511700000000, -0.0102169000000000, 0.0176944200000000 ] - [ 0.0000314500000000, 0.0006292000000000, 0.0013281900000000 ] - [ -0.0513455300000000, -0.1520667400000000, 0.1561190100000000 ] - [ 0.0000761100000000, -0.0010107500000000, 0.0013608400000000 ] - [ 0.0000879300000000, 0.0004015400000000, -0.0005923800000000 ] - [ -0.0000610300000000, 0.0004131100000000, -0.0005919200000000 ] - [ -0.0003735100000000, 0.0003324300000000, 0.0009260500000000 ] - [ 0.0005049300000000, 0.0020524700000000, 0.0011936500000000 ] - [ -0.0002113600000000, -0.0000878000000000, -0.0009782400000000 ] - [ -0.0002026200000000, -0.0000742700000000, -0.0008932500000000 ] - [ 0.0002286000000000, -0.0003075400000000, 0.0017318800000000 ] - [ 0.0086542300000000, 0.0094159100000000, 0.0116413100000000 ] - [ 0.0006644400000000, 0.0001046100000000, -0.0003821500000000 ] - [ 0.0005302500000000, 0.0001125700000000, -0.0003094500000000 ] - [ -0.0006007900000000, -0.0005318500000000, 0.0013874000000000 ] - [ -0.0002974400000000, -0.0001115100000000, 0.0009631500000000 ] - [ -0.0005656700000000, 0.0001584700000000, -0.0008709800000000 ] - [ -0.0005975000000000, 0.0001572400000000, -0.0008640000000000 ] - [ 0.0063130700000000, 0.0411955800000000, -0.0313961700000000 ] - [ 0.0010298700000000, -0.0004525000000000, 0.0019534500000000 ] - [ 0.0004622600000000, 0.0003499400000000, -0.0014440900000000 ] - [ 0.0004271800000000, 0.0003514900000000, -0.0014057400000000 ] - [ 0.0001817500000000, -0.0001390100000000, 0.0018194800000000 ] - [ 0.0003328000000000, -0.0004114500000000, 0.0037753700000000 ] - [ 0.0000954800000000, 0.0002390200000000, -0.0011838100000000 ] - [ 0.0000036600000000, 0.0002426200000000, -0.0010132600000000 ] - [ -0.0000402600000000, 0.0001537900000000, 0.0007225000000000 ] - [ -0.0000185400000000, 0.0001389300000000, 0.0007936900000000 ] - [ 0.0000269800000000, 0.0000248300000000, 0.0006454100000000 ] - [ -0.0000145400000000, -0.0000040000000000, 0.0005025400000000 ] - [ 0.0010107300000000, -0.0012091100000000, -0.0023707900000000 ] - [ -0.0008375700000000, -0.0011966800000000, -0.0009963500000000 ] - [ 0.0025094700000000, 0.0020898400000000, -0.0023423000000000 ] - [ -0.0012628200000000, 0.0006174100000000, -0.0006730400000000 ] - [ 0.0381457400000000, 0.1052677700000000, -0.1450964200000000 ] - [ -0.0004723100000000, 0.0005109700000000, -0.0032174200000000 ] - [ -0.0000377100000000, -0.0000962500000000, 0.0022045400000000 ] - [ 0.0000098000000000, -0.0000768200000000, 0.0019675200000000 ] - [ -0.0001941700000000, 0.0000287900000000, 0.0019682000000000 ] - [ 0.0000262700000000, 0.0000135000000000, 0.0019264700000000 ] - [ -0.0002936200000000, 0.0000007700000000, -0.0028161000000000 ] - [ -0.0004211900000000, 0.0000415800000000, -0.0057078900000000 ] - [ -0.0011093200000000, 0.0001364800000000, 0.0007350600000000 ] - [ 0.0008797800000000, 0.0002999000000000, 0.0039164400000000 ] - [ -0.0027483400000000, -0.0030215600000000, 0.0012522400000000 ] - [ 0.0012179700000000, -0.0034051000000000, -0.0000801000000000 ] - [ 0.0001102700000000, 0.0001245200000000, 0.0023635000000000 ] - [ 0.0001806300000000, 0.0001105900000000, 0.0018287200000000 ] - [ 0.0026955400000000, 0.0006710600000000, 0.0030495300000000 ] - [ -0.0023372900000000, 0.0002397100000000, 0.0013836000000000 ] - [ 0.0002361800000000, 0.0000036200000000, 0.0002589800000000 ] - [ -0.0004518400000000, 0.0000811800000000, 0.0002365000000000 ] - [ -0.0001605100000000, -0.0002251400000000, 0.0010776400000000 ] - [ -0.0000253800000000, -0.0002342100000000, 0.0009253500000000 ] - [ -0.0001446100000000, 0.0002809500000000, -0.0020398500000000 ] - [ 0.0019878300000000, 0.0011007000000000, -0.0008469100000000 ] - [ -0.0000366600000000, -0.0001533200000000, 0.0003449400000000 ] - [ 0.0003835200000000, -0.0004112600000000, 0.0008730100000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0039818600000000, 0.0014904000000000, 0.0030066600000000 ] - [ -0.0018906200000000, -0.0007076600000000, -0.0007369100000000 ] - [ 0.0000025400000000, 0.0001822900000000, -0.0005604900000000 ] - [ -0.0002733600000000, -0.0001805400000000, 0.0002029500000000 ] - [ -0.0006073800000000, 0.0000071000000000, 0.0003978900000000 ] - [ 0.0012105600000000, -0.0005300800000000, -0.0010062100000000 ] - [ 0.0001775400000000, 0.0001376400000000, 0.0003263600000000 ] - [ 0.0000796600000000, -0.0001029100000000, -0.0000207400000000 ] - [ 0.0049379800000000, -0.0023724500000000, 0.0012738600000000 ] - [ -0.0017269400000000, 0.0008525900000000, -0.0002581000000000 ] - [ 0.0002522400000000, -0.0000646900000000, -0.0005539100000000 ] - [ 0.0000145800000000, 0.0000268900000000, -0.0002680100000000 ] - [ -0.0014314700000000, -0.0003506500000000, 0.0010009200000000 ] - [ 0.0033229800000000, 0.0018830500000000, -0.0035232300000000 ] - [ -0.0000963000000000, -0.0000268600000000, 0.0003819200000000 ] - [ -0.0001850400000000, -0.0000101600000000, 0.0003614700000000 ] - [ -0.0026089700000000, 0.0001644600000000, -0.0001545000000000 ] - [ 0.0010391700000000, 0.0000116600000000, -0.0003136900000000 ] - [ -0.0005794200000000, -0.0000975900000000, 0.0000091400000000 ] - [ -0.0008885800000000, -0.0000664700000000, 0.0001415200000000 ] - [ 0.0013701000000000, 0.0001408100000000, 0.0006657600000000 ] - [ 0.0014126400000000, 0.0001536400000000, -0.0013397600000000 ] - [ -0.0007536900000000, 0.0000776700000000, -0.0002382100000000 ] - [ 0.0018498500000000, -0.0001366400000000, 0.0000812200000000 ] - [ -0.0009479600000000, -0.0003755900000000, -0.0014284400000000 ] - [ -0.0001114600000000, -0.0003110900000000, 0.0005335500000000 ] - [ -0.0007894800000000, 0.0004340300000000, 0.0006737300000000 ] - [ -0.0002944800000000, 0.0003660200000000, 0.0003282300000000 ] - [ 0.0007032800000000, -0.0004267100000000, 0.0021778000000000 ] - [ 0.0008397400000000, -0.0002604800000000, -0.0009453100000000 ] - [ 0.0018454900000000, 0.0005002800000000, 0.0004913000000000 ] - [ -0.0008923600000000, 0.0006267000000000, -0.0021523200000000 ] - [ -0.0002888800000000, 0.0006004900000000, -0.0007348800000000 ] - [ 0.0011395000000000, 0.0009549600000000, 0.0019680400000000 ] - [ -0.0000083100000000, -0.0007230700000000, -0.0002943000000000 ] - [ 0.0002582300000000, -0.0008701700000000, -0.0004212800000000 ] - [ -0.0008750300000000, 0.0001401400000000, 0.0003598200000000 ] - [ 0.0011933900000000, 0.0009972300000000, -0.0008427100000000 ] - [ 0.0002670800000000, -0.0006498400000000, 0.0007390700000000 ] - [ -0.0004049400000000, -0.0008301800000000, -0.0001112500000000 ] - [ -0.0006611600000000, -0.0003889900000000, -0.0012543800000000 ] - [ 0.0009126600000000, -0.0008577800000000, 0.0021502900000000 ] - [ -0.0003751700000000, 0.0007091800000000, -0.0002683700000000 ] - [ -0.0000644400000000, 0.0008971800000000, -0.0003893000000000 ] - [ -0.0003137100000000, 0.0008533200000000, 0.0011508100000000 ] - [ 0.0019185600000000, -0.0016584700000000, -0.0013348900000000 ] - [ 0.0004690200000000, 0.0008507000000000, 0.0006543100000000 ] - [ -0.0000424300000000, 0.0007867900000000, -0.0001290200000000 ] - [ 0.0001565200000000, -0.0000770200000000, -0.0002126800000000 ] - [ 0.0001723000000000, -0.0001106300000000, -0.0000949200000000 ] - [ -0.0020864100000000, -0.0005360100000000, 0.0002883900000000 ] - [ 0.0015581700000000, 0.0003870400000000, -0.0001677000000000 ] - [ -0.0002418400000000, -0.0000618300000000, 0.0002963500000000 ] - [ -0.0000881600000000, -0.0001160000000000, 0.0000383600000000 ] - [ 0.0061094400000000, 0.0000619900000000, 0.0003013200000000 ] - [ 0.0232997800000000, -0.0120586700000000, -0.0097571100000000 ] - [ 0.0063402100000000, -0.0000890200000000, 0.0002141500000000 ] - [ 0.0221208900000000, 0.0126713600000000, -0.0080935100000000 ] - [ 0.0000390500000000, 0.0001288300000000, 0.0002333900000000 ] - [ 0.0001792100000000, 0.0001341600000000, 0.0000986700000000 ] - [ -0.0025657100000000, 0.0003976800000000, 0.0001742400000000 ] - [ 0.0012842200000000, -0.0003299600000000, -0.0001416600000000 ] - [ -0.0001187000000000, 0.0001539600000000, -0.0001639500000000 ] - [ -0.0000957600000000, 0.0001381200000000, -0.0001317300000000 ] - [ -0.4429630400000000, -0.0019844000000000, 0.0144849900000000 ] - [ 0.0098748100000000, -0.0000450900000000, -0.0002720300000000 ] - [ 0.0006006900000000, 0.0001357900000000, 0.0002906100000000 ] - [ 0.0006009100000000, 0.0001183500000000, 0.0001985300000000 ] - [ 0.0017883800000000, -0.0001860300000000, -0.0003709100000000 ] - [ -0.0031187900000000, -0.0000669600000000, 0.0013293100000000 ] - [ -0.0006987800000000, 0.0001343900000000, -0.0002392400000000 ] - [ -0.0004915300000000, 0.0001228700000000, -0.0002345400000000 ] - [ 0.0078231500000000, -0.0001726400000000, 0.0004454500000000 ] - [ 0.0248404500000000, -0.0008960500000000, 0.0126608400000000 ] - [ 0.0001648500000000, 0.0002948100000000, -0.0001089700000000 ] - [ 0.0002437600000000, 0.0002849000000000, -0.0002618000000000 ] - [ -0.0030822100000000, -0.0001310800000000, -0.0000515700000000 ] - [ 0.0014231200000000, -0.0003528300000000, 0.0002737100000000 ] - [ -0.0002399000000000, 0.0003030400000000, 0.0002445000000000 ] - [ -0.0001683600000000, 0.0002844700000000, 0.0001655600000000 ] - [ 0.0000557000000000, 0.0000675900000000, 0.0000987700000000 ] - [ -0.0000873700000000, 0.0000774700000000, 0.0000820000000000 ] - [ -0.0000634400000000, 0.0000576400000000, -0.0001498900000000 ] - [ 0.0001008100000000, 0.0000842600000000, -0.0000453900000000 ] - [ 0.0017418000000000, -0.0021015500000000, 0.0003366400000000 ] - [ -0.0039959300000000, 0.0020840500000000, -0.0008924100000000 ] - [ 0.0012330100000000, 0.0012263200000000, 0.0009573700000000 ] - [ -0.0038793400000000, -0.0025571800000000, -0.0017364800000000 ] - [ -0.0158965800000000, -0.0001354400000000, -0.0010574900000000 ] - [ 0.3605346000000000, 0.0014652800000000, -0.0089826300000000 ] - [ 0.0001757300000000, -0.0000290600000000, -0.0000036700000000 ] - [ -0.0001067100000000, 0.0000474400000000, -0.0000318300000000 ] - [ -0.0000214600000000, -0.0000285200000000, -0.0001841400000000 ] - [ -0.0000630600000000, 0.0000653400000000, 0.0001499700000000 ] - [ 0.0053734600000000, -0.0000251000000000, -0.0013837700000000 ] - [ -0.0041359600000000, -0.0000351900000000, 0.0000918500000000 ] - [ 0.0016474400000000, -0.0000851700000000, 0.0013699300000000 ] - [ -0.0017120400000000, -0.0001164200000000, -0.0016540600000000 ] - [ -0.0014680900000000, -0.0005088500000000, -0.0019053400000000 ] - [ -0.0017548100000000, 0.0003328800000000, 0.0029990000000000 ] - [ -0.0001897900000000, 0.0000094300000000, 0.0005762000000000 ] - [ 0.0004856400000000, 0.0000266000000000, 0.0000823200000000 ] - [ 0.0024399600000000, -0.0004241000000000, 0.0022831800000000 ] - [ -0.0030840900000000, 0.0001131300000000, -0.0026989600000000 ] - [ 0.0001697400000000, 0.0000987600000000, 0.0002267800000000 ] - [ -0.0004886700000000, 0.0002197000000000, -0.0003420000000000 ] - [ -0.0003859000000000, -0.0001308900000000, 0.0001966000000000 ] - [ 0.0001546500000000, -0.0001545700000000, 0.0000951600000000 ] - [ 0.0011086000000000, 0.0000376500000000, -0.0023536100000000 ] - [ -0.0029126700000000, 0.0001904100000000, 0.0028555000000000 ] - [ 0.0006964700000000, -0.0001563400000000, 0.0000365300000000 ] - [ -0.0004194900000000, -0.0000993100000000, -0.0002486100000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0042833600000000, -0.0015486700000000, -0.0026744300000000 ] - [ 0.0016375100000000, 0.0006423700000000, 0.0010706200000000 ] - [ -0.0002622400000000, -0.0001180500000000, 0.0002276400000000 ] - [ 0.0000130000000000, 0.0002473800000000, -0.0005406800000000 ] - [ 0.0008740000000000, -0.0000723800000000, -0.0007318600000000 ] - [ -0.0009590100000000, 0.0004698100000000, 0.0006694800000000 ] - [ 0.0000835800000000, -0.0000714900000000, 0.0000068700000000 ] - [ 0.0001812600000000, 0.0001705600000000, 0.0003561400000000 ] - [ -0.0047045100000000, 0.0024135300000000, -0.0005174400000000 ] - [ 0.0020114500000000, -0.0008064200000000, 0.0010052900000000 ] - [ 0.0000286900000000, 0.0000199000000000, -0.0001923900000000 ] - [ 0.0002658900000000, -0.0000725100000000, -0.0004790600000000 ] - [ 0.0011617500000000, 0.0003938600000000, -0.0017466700000000 ] - [ -0.0036387600000000, -0.0018515100000000, 0.0027756200000000 ] - [ -0.0001834200000000, -0.0000156500000000, 0.0003631500000000 ] - [ -0.0000940700000000, -0.0000330400000000, 0.0003839000000000 ] - [ 0.0011574900000000, 0.0000058800000000, -0.0000137300000000 ] - [ -0.0025016300000000, 0.0001588700000000, 0.0001381000000000 ] - [ -0.0008753700000000, -0.0000719100000000, 0.0001657600000000 ] - [ -0.0005630300000000, -0.0001035800000000, 0.0000336100000000 ] - [ 0.0000725400000000, 0.0000282800000000, -0.0004919600000000 ] - [ 0.0000444600000000, 0.0000162800000000, 0.0015212100000000 ] - [ 0.0022093800000000, -0.0002478000000000, 0.0000637100000000 ] - [ -0.0003960500000000, -0.0000332500000000, -0.0002530600000000 ] - [ -0.0001253400000000, -0.0003991000000000, 0.0003421900000000 ] - [ -0.0009615000000000, -0.0004645100000000, -0.0016326400000000 ] - [ -0.0002804300000000, 0.0003413300000000, 0.0004233900000000 ] - [ -0.0007794600000000, 0.0004093300000000, 0.0007614900000000 ] - [ 0.0003673600000000, -0.0003479500000000, -0.0010940800000000 ] - [ 0.0002332700000000, -0.0005155900000000, 0.0020526000000000 ] - [ -0.0007797300000000, 0.0002744900000000, -0.0015900800000000 ] - [ 0.0019745900000000, 0.0001468000000000, 0.0010557900000000 ] - [ 0.0005349800000000, 0.0009802500000000, 0.0014365700000000 ] - [ -0.0008929300000000, 0.0006276400000000, -0.0012796800000000 ] - [ 0.0002583900000000, -0.0008589000000000, -0.0004041400000000 ] - [ -0.0000095700000000, -0.0007105700000000, -0.0002778100000000 ] - [ 0.0006223000000000, 0.0014500200000000, -0.0010670600000000 ] - [ -0.0014470200000000, 0.0005818200000000, 0.0001476400000000 ] - [ -0.0005174300000000, -0.0009323100000000, -0.0000390300000000 ] - [ 0.0001602300000000, -0.0007481700000000, 0.0008104500000000 ] - [ 0.0002025000000000, -0.0011904700000000, 0.0018933900000000 ] - [ -0.0013708000000000, -0.0007222800000000, -0.0015284200000000 ] - [ -0.0000787300000000, 0.0008684200000000, -0.0003639600000000 ] - [ -0.0003934700000000, 0.0006758500000000, -0.0002411800000000 ] - [ 0.0007605500000000, -0.0024506100000000, -0.0018003300000000 ] - [ -0.0014702700000000, 0.0000869600000000, 0.0007079400000000 ] - [ -0.0000149100000000, 0.0007269700000000, -0.0000200400000000 ] - [ 0.0005002400000000, 0.0007913300000000, 0.0007636200000000 ] - [ 0.0001694100000000, -0.0001028500000000, -0.0001230300000000 ] - [ 0.0001529400000000, -0.0000654200000000, -0.0002433600000000 ] - [ 0.0024340700000000, 0.0007336100000000, 0.0000540500000000 ] - [ -0.0012379900000000, -0.0002113400000000, 0.0005044900000000 ] - [ -0.0000822200000000, -0.0001133900000000, 0.0000427400000000 ] - [ -0.0002363000000000, -0.0000602400000000, 0.0003007800000000 ] - [ -0.0064161100000000, 0.0001297000000000, -0.0006321900000000 ] - [ -0.0241308800000000, 0.0126085800000000, 0.0096981900000000 ] - [ -0.0061060400000000, -0.0002160600000000, -0.0005193900000000 ] - [ -0.0223780700000000, -0.0133446900000000, 0.0080263800000000 ] - [ 0.0001796600000000, 0.0001583900000000, 0.0000831400000000 ] - [ 0.0000405300000000, 0.0001519500000000, 0.0002190000000000 ] - [ 0.0023711300000000, -0.0007083800000000, 0.0001499900000000 ] - [ -0.0015069300000000, 0.0000432800000000, 0.0004558600000000 ] - [ -0.0000970100000000, 0.0001395700000000, -0.0001482700000000 ] - [ -0.0001216700000000, 0.0001502700000000, -0.0001836100000000 ] - [ 0.4722305400000000, 0.0018992500000000, -0.0159842300000000 ] - [ -0.0086961600000000, -0.0002117000000000, -0.0002177600000000 ] - [ 0.0005860800000000, 0.0001219100000000, 0.0001998000000000 ] - [ 0.0005864700000000, 0.0001399200000000, 0.0002916100000000 ] - [ -0.0029908100000000, -0.0000710400000000, 0.0008604500000000 ] - [ 0.0019593400000000, -0.0001917600000000, -0.0008475800000000 ] - [ -0.0004882200000000, 0.0001226400000000, -0.0002502700000000 ] - [ -0.0006937500000000, 0.0001346000000000, -0.0002545000000000 ] - [ -0.0073908700000000, -0.0004120900000000, -0.0000876800000000 ] - [ -0.0250284800000000, 0.0003306200000000, -0.0127052600000000 ] - [ 0.0002444800000000, 0.0002892700000000, -0.0002774300000000 ] - [ 0.0001641600000000, 0.0003000400000000, -0.0001205700000000 ] - [ 0.0026950500000000, -0.0004538700000000, -0.0003314300000000 ] - [ -0.0018377400000000, -0.0002313300000000, -0.0006609300000000 ] - [ -0.0001666200000000, 0.0002804700000000, 0.0001354700000000 ] - [ -0.0002387700000000, 0.0003000400000000, 0.0002179600000000 ] - [ -0.0000891100000000, 0.0000785100000000, 0.0000898100000000 ] - [ 0.0000544700000000, 0.0000687700000000, 0.0001059600000000 ] - [ 0.0000986200000000, 0.0000888300000000, -0.0000377800000000 ] - [ -0.0000666300000000, 0.0000617900000000, -0.0001431900000000 ] - [ -0.0016253800000000, 0.0021255200000000, -0.0001628500000000 ] - [ 0.0040416600000000, -0.0022400700000000, 0.0010912600000000 ] - [ -0.0011511000000000, -0.0015343800000000, -0.0012680700000000 ] - [ 0.0038578400000000, 0.0024261200000000, 0.0015522900000000 ] - [ 0.0158623400000000, 0.0001236600000000, 0.0010872500000000 ] - [ -0.3874244500000000, -0.0016615000000000, 0.0099512500000000 ] - [ -0.0001071400000000, 0.0000405500000000, 0.0000195500000000 ] - [ 0.0001763200000000, -0.0000361500000000, 0.0000487200000000 ] - [ -0.0000465000000000, 0.0000406900000000, 0.0001668500000000 ] - [ -0.0000060200000000, -0.0000535500000000, -0.0001697300000000 ] - [ -0.0053650300000000, 0.0000169500000000, 0.0013823100000000 ] - [ 0.0042270900000000, 0.0000229900000000, -0.0001045800000000 ] - [ -0.0019449700000000, 0.0001237900000000, -0.0019244200000000 ] - [ 0.0014248400000000, 0.0001568900000000, 0.0010958800000000 ] - [ 0.0011976700000000, 0.0004758400000000, 0.0024810800000000 ] - [ 0.0014642500000000, -0.0003751000000000, -0.0024590500000000 ] - [ 0.0004871000000000, 0.0000321400000000, -0.0000178100000000 ] - [ -0.0001945400000000, 0.0000140700000000, 0.0004725400000000 ] - [ -0.0021397100000000, 0.0003865500000000, -0.0028547200000000 ] - [ 0.0033908400000000, -0.0001534800000000, 0.0021575500000000 ] - [ -0.0004077200000000, 0.0001953100000000, -0.0005563800000000 ] - [ 0.0002457000000000, 0.0000737400000000, 0.0000168100000000 ] - [ 0.0001460500000000, -0.0001633100000000, 0.0001289300000000 ] - [ -0.0003981900000000, -0.0001393600000000, 0.0002298000000000 ] - [ -0.0008247800000000, 0.0002517200000000, 0.0027589600000000 ] - [ 0.0031669600000000, 0.0001033000000000, -0.0025460300000000 ] - [ -0.0004573000000000, -0.0001375000000000, -0.0003634100000000 ] - [ 0.0006652000000000, -0.0001945100000000, -0.0000776700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004027400000000, -0.0019467300000000, -0.0026799700000000 ] - [ -0.0001697600000000, -0.0000543800000000, 0.0000159700000000 ] - [ -0.0001685900000000, 0.0000270200000000, -0.0002319000000000 ] - [ -0.0000857900000000, 0.0000191300000000, -0.0002048700000000 ] - [ 0.0002058800000000, -0.0000406500000000, -0.0002171300000000 ] - [ -0.0000289800000000, 0.0000501600000000, -0.0004840200000000 ] - [ 0.0001331900000000, 0.0000262800000000, 0.0001313000000000 ] - [ 0.0001304500000000, 0.0000346900000000, 0.0001434400000000 ] - [ 0.0003392300000000, -0.0042080600000000, 0.0020265200000000 ] - [ 0.0000988600000000, -0.0003115400000000, 0.0005099500000000 ] - [ 0.0001126500000000, 0.0000012400000000, -0.0003969000000000 ] - [ 0.0001692300000000, -0.0000131700000000, -0.0003905400000000 ] - [ -0.0002414200000000, 0.0000980800000000, -0.0003000700000000 ] - [ 0.0005306000000000, 0.0003408600000000, 0.0002701100000000 ] - [ -0.0001381300000000, -0.0000224300000000, 0.0003454600000000 ] - [ -0.0001397100000000, -0.0000243400000000, 0.0003476000000000 ] - [ -0.0007087500000000, -0.0001973800000000, -0.0000566000000000 ] - [ -0.0007348200000000, 0.0000620100000000, -0.0000685600000000 ] - [ -0.0007235400000000, -0.0000774700000000, 0.0001087200000000 ] - [ -0.0007066000000000, -0.0000794800000000, 0.0001222700000000 ] - [ 0.0009157600000000, 0.0009588800000000, 0.0001331900000000 ] - [ 0.0008250700000000, 0.0015136500000000, -0.0000110300000000 ] - [ 0.0009266700000000, -0.0001576000000000, 0.0001181300000000 ] - [ 0.0007339100000000, -0.0001078900000000, -0.0000986500000000 ] - [ -0.0005241500000000, -0.0005176200000000, -0.0004475400000000 ] - [ -0.0005322100000000, -0.0003675700000000, -0.0005169900000000 ] - [ -0.0005246500000000, 0.0004362400000000, 0.0006657100000000 ] - [ -0.0005424200000000, 0.0004102600000000, 0.0006048500000000 ] - [ 0.0005601900000000, 0.0005481300000000, 0.0007996200000000 ] - [ 0.0005831000000000, -0.0000301400000000, 0.0005885700000000 ] - [ 0.0005204600000000, 0.0002745900000000, -0.0005462300000000 ] - [ 0.0005588400000000, -0.0001357600000000, 0.0002806700000000 ] - [ 0.0001077600000000, 0.0004847200000000, 0.0001863100000000 ] - [ 0.0001251300000000, 0.0007719900000000, 0.0004423200000000 ] - [ 0.0001150000000000, -0.0007735700000000, -0.0003204600000000 ] - [ 0.0001215400000000, -0.0007865300000000, -0.0003307200000000 ] - [ -0.0011373000000000, 0.0033004700000000, -0.0013760300000000 ] - [ -0.0000118900000000, 0.0020216200000000, -0.0008798900000000 ] - [ -0.0001369200000000, -0.0008341500000000, 0.0003569200000000 ] - [ -0.0002438700000000, -0.0010715800000000, 0.0005419200000000 ] - [ -0.0002488400000000, -0.0011451500000000, 0.0007464000000000 ] - [ -0.0002427300000000, -0.0008710100000000, 0.0002494500000000 ] - [ -0.0002310700000000, 0.0007838400000000, -0.0002813200000000 ] - [ -0.0002336300000000, 0.0007839000000000, -0.0002930800000000 ] - [ 0.0013685200000000, 0.0019923400000000, 0.0014605600000000 ] - [ -0.0000980100000000, 0.0005805200000000, 0.0005864100000000 ] - [ 0.0002480000000000, 0.0007704000000000, 0.0003245100000000 ] - [ 0.0001891900000000, 0.0008566600000000, 0.0005161100000000 ] - [ 0.0001650200000000, -0.0000982300000000, -0.0001370700000000 ] - [ 0.0001628600000000, -0.0000939200000000, -0.0001413000000000 ] - [ 0.0011631200000000, 0.0028578100000000, 0.0005688700000000 ] - [ 0.0002928600000000, 0.0002998000000000, 0.0001214900000000 ] - [ -0.0001501900000000, -0.0000497600000000, 0.0002265000000000 ] - [ -0.0001640000000000, -0.0000635200000000, 0.0002045800000000 ] - [ 0.0012784800000000, -0.0012599400000000, -0.0004687300000000 ] - [ -0.0369095300000000, -0.0008522300000000, 0.0101764500000000 ] - [ -0.0012673000000000, -0.0014428000000000, 0.0000192400000000 ] - [ 0.0372797700000000, -0.0001887400000000, -0.0096245200000000 ] - [ 0.0001131200000000, 0.0001341100000000, 0.0001869900000000 ] - [ 0.0001071600000000, 0.0001347100000000, 0.0001799400000000 ] - [ -0.0013142500000000, 0.0030266300000000, -0.0002482000000000 ] - [ -0.0001951300000000, 0.0000412600000000, 0.0001783000000000 ] - [ -0.0001039200000000, 0.0001516500000000, -0.0001310500000000 ] - [ -0.0001072300000000, 0.0001491600000000, -0.0001317400000000 ] - [ -0.0022482800000000, -0.0823244000000000, -0.0030545300000000 ] - [ 0.0006978900000000, -0.0012532700000000, -0.0002668500000000 ] - [ 0.0006040300000000, 0.0001330400000000, 0.0002687900000000 ] - [ 0.0005869800000000, 0.0001336600000000, 0.0002643000000000 ] - [ -0.0005277600000000, 0.0005674300000000, 0.0001549300000000 ] - [ -0.0006701500000000, 0.0010658700000000, 0.0003643600000000 ] - [ -0.0005893000000000, 0.0001250500000000, -0.0002195400000000 ] - [ -0.0005990700000000, 0.0001264000000000, -0.0002235400000000 ] - [ 0.0003066500000000, -0.0012200000000000, 0.0002038700000000 ] - [ -0.0006309700000000, -0.0162634100000000, 0.0003595500000000 ] - [ 0.0002003600000000, 0.0002942100000000, -0.0001537000000000 ] - [ 0.0001984600000000, 0.0002925300000000, -0.0001611600000000 ] - [ -0.0002613800000000, 0.0029702700000000, 0.0002087800000000 ] - [ -0.0001768700000000, 0.0000041600000000, -0.0002034500000000 ] - [ -0.0002078200000000, 0.0002912800000000, 0.0002492700000000 ] - [ -0.0002257000000000, 0.0002910000000000, 0.0002588400000000 ] - [ -0.0000163000000000, 0.0000731900000000, 0.0000676200000000 ] - [ -0.0000173300000000, 0.0000704400000000, 0.0000749200000000 ] - [ 0.0000154900000000, 0.0000756700000000, -0.0001150400000000 ] - [ 0.0000182400000000, 0.0000680000000000, -0.0001381100000000 ] - [ 0.0007378300000000, 0.0045823400000000, -0.0000526800000000 ] - [ 0.0012202600000000, -0.0007310400000000, 0.0012235400000000 ] - [ -0.0005928000000000, 0.0036218200000000, 0.0010680500000000 ] - [ -0.0008823500000000, -0.0000598200000000, -0.0014764600000000 ] - [ -0.0002377800000000, 0.0033521900000000, 0.0000654800000000 ] - [ 0.0028103800000000, 0.0874632400000000, 0.0003804500000000 ] - [ 0.0000311300000000, 0.0000115500000000, -0.0000748400000000 ] - [ 0.0000483700000000, 0.0000075700000000, -0.0000772300000000 ] - [ -0.0000487600000000, -0.0000235500000000, -0.0000966800000000 ] - [ -0.0000251600000000, -0.0000100100000000, -0.0000723400000000 ] - [ 0.0001582200000000, -0.0060695300000000, -0.0005436400000000 ] - [ -0.0000534300000000, -0.0003975100000000, 0.0000285800000000 ] - [ -0.0001639000000000, 0.0002631400000000, -0.0010164500000000 ] - [ -0.0001609600000000, 0.0000811400000000, -0.0002618800000000 ] - [ -0.0002658800000000, -0.0047159900000000, -0.0003206000000000 ] - [ -0.0004386700000000, -0.0027346900000000, 0.0000077800000000 ] - [ 0.0001498000000000, 0.0000104500000000, 0.0002023900000000 ] - [ 0.0001420600000000, -0.0000005100000000, 0.0001672300000000 ] - [ 0.0000819800000000, 0.0008661400000000, -0.0004931600000000 ] - [ 0.0001353500000000, -0.0000754600000000, -0.0003361400000000 ] - [ -0.0001331500000000, -0.0000693200000000, -0.0001382800000000 ] - [ -0.0001188000000000, 0.0001081300000000, -0.0001773400000000 ] - [ -0.0001196700000000, -0.0001395600000000, 0.0001416700000000 ] - [ -0.0001259600000000, -0.0001382000000000, 0.0001397900000000 ] - [ 0.0001479100000000, 0.0017641200000000, 0.0001018200000000 ] - [ 0.0000036200000000, 0.0018104400000000, 0.0004306000000000 ] - [ 0.0001288000000000, -0.0002385900000000, -0.0000737700000000 ] - [ 0.0001008300000000, -0.0001790400000000, -0.0001554400000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001599900000000, 0.0018923600000000, 0.0030225700000000 ] - [ -0.0001002200000000, -0.0000099400000000, 0.0003140900000000 ] - [ -0.0000922400000000, 0.0000386800000000, -0.0001049700000000 ] - [ -0.0001766600000000, 0.0000446400000000, -0.0001282000000000 ] - [ 0.0000524700000000, -0.0000251100000000, -0.0001136000000000 ] - [ 0.0002992000000000, -0.0001207700000000, 0.0001456600000000 ] - [ 0.0001280800000000, 0.0000379900000000, 0.0002077900000000 ] - [ 0.0001307200000000, 0.0000285400000000, 0.0001908800000000 ] - [ -0.0000319200000000, 0.0042440900000000, -0.0012853400000000 ] - [ 0.0001681100000000, 0.0003543200000000, 0.0002367200000000 ] - [ 0.0001670400000000, -0.0000426000000000, -0.0003519200000000 ] - [ 0.0001090900000000, -0.0000287700000000, -0.0003562700000000 ] - [ -0.0000404000000000, -0.0000588700000000, -0.0004411500000000 ] - [ -0.0007794300000000, -0.0002811100000000, -0.0010395400000000 ] - [ -0.0001408300000000, -0.0000165400000000, 0.0004004100000000 ] - [ -0.0001385700000000, -0.0000143700000000, 0.0004003700000000 ] - [ -0.0007557300000000, 0.0003668300000000, -0.0001126800000000 ] - [ -0.0007116400000000, 0.0001070200000000, -0.0001013200000000 ] - [ -0.0007261900000000, -0.0000903400000000, 0.0000614200000000 ] - [ -0.0007491700000000, -0.0000892400000000, 0.0000474300000000 ] - [ 0.0005452900000000, -0.0007886500000000, 0.0000397800000000 ] - [ 0.0006288100000000, -0.0013449300000000, 0.0001747900000000 ] - [ 0.0005154000000000, -0.0000111200000000, -0.0002903400000000 ] - [ 0.0007260800000000, -0.0000612100000000, -0.0000687100000000 ] - [ -0.0005522300000000, -0.0002585900000000, -0.0006621400000000 ] - [ -0.0005383400000000, -0.0004080900000000, -0.0005805900000000 ] - [ -0.0005503200000000, 0.0003415500000000, 0.0004425400000000 ] - [ -0.0005295700000000, 0.0003673800000000, 0.0004961800000000 ] - [ 0.0005161600000000, -0.0013246400000000, 0.0003240000000000 ] - [ 0.0004915600000000, -0.0007465700000000, 0.0005187200000000 ] - [ 0.0005549700000000, 0.0005023600000000, -0.0005650500000000 ] - [ 0.0005115100000000, 0.0009124300000000, -0.0013974100000000 ] - [ 0.0001474800000000, 0.0011139900000000, 0.0005191100000000 ] - [ 0.0001396700000000, 0.0008295100000000, 0.0002808000000000 ] - [ 0.0001431200000000, -0.0008295800000000, -0.0003914100000000 ] - [ 0.0001368300000000, -0.0008143800000000, -0.0003806000000000 ] - [ 0.0008786200000000, -0.0016988400000000, 0.0006728600000000 ] - [ -0.0002402700000000, -0.0004197200000000, 0.0001658800000000 ] - [ -0.0001196400000000, -0.0007658700000000, 0.0003560100000000 ] - [ -0.0000114800000000, -0.0005267500000000, 0.0001665300000000 ] - [ -0.0002095600000000, -0.0004359300000000, -0.0001124600000000 ] - [ -0.0002054500000000, -0.0007124600000000, 0.0004057400000000 ] - [ -0.0002246500000000, 0.0008020500000000, -0.0003615000000000 ] - [ -0.0002240700000000, 0.0007958700000000, -0.0003451400000000 ] - [ -0.0009124700000000, -0.0035703700000000, -0.0020910600000000 ] - [ 0.0005610300000000, -0.0021698900000000, -0.0012351500000000 ] - [ 0.0002094700000000, 0.0008123400000000, 0.0003191500000000 ] - [ 0.0002671000000000, 0.0007282500000000, 0.0001250900000000 ] - [ 0.0001538800000000, -0.0000597300000000, -0.0002183000000000 ] - [ 0.0001541900000000, -0.0000571700000000, -0.0002169400000000 ] - [ -0.0008575800000000, -0.0027014900000000, -0.0002264300000000 ] - [ 0.0000332600000000, -0.0001426600000000, 0.0002336200000000 ] - [ -0.0001665400000000, -0.0000984600000000, 0.0001361000000000 ] - [ -0.0001535800000000, -0.0000895000000000, 0.0001524900000000 ] - [ -0.0015710400000000, 0.0014103500000000, 0.0001122300000000 ] - [ 0.0362313300000000, 0.0010151700000000, -0.0103212300000000 ] - [ 0.0015053200000000, 0.0011619700000000, -0.0003377900000000 ] - [ -0.0374636500000000, -0.0001198000000000, 0.0095157900000000 ] - [ 0.0001045200000000, 0.0001411000000000, 0.0001397300000000 ] - [ 0.0001127100000000, 0.0001393700000000, 0.0001465400000000 ] - [ 0.0010793000000000, -0.0033013800000000, 0.0005580400000000 ] - [ -0.0000133800000000, -0.0003232300000000, 0.0001431600000000 ] - [ -0.0001104600000000, 0.0001344900000000, -0.0001885500000000 ] - [ -0.0001098700000000, 0.0001283700000000, -0.0001919400000000 ] - [ 0.0016366800000000, 0.0818097500000000, 0.0024690700000000 ] - [ 0.0005329400000000, 0.0010001800000000, -0.0002267100000000 ] - [ 0.0005844600000000, 0.0001217200000000, 0.0002248900000000 ] - [ 0.0006029900000000, 0.0001222300000000, 0.0002282200000000 ] - [ -0.0006452900000000, -0.0008217100000000, 0.0003327100000000 ] - [ -0.0005484300000000, -0.0013210600000000, 0.0001323500000000 ] - [ -0.0006026500000000, 0.0001291300000000, -0.0002733700000000 ] - [ -0.0005893800000000, 0.0001281500000000, -0.0002686500000000 ] - [ 0.0001465300000000, 0.0006401400000000, 0.0002027400000000 ] - [ 0.0012125400000000, 0.0156749400000000, 0.0000371700000000 ] - [ 0.0002158300000000, 0.0002871600000000, -0.0002587100000000 ] - [ 0.0002157700000000, 0.0002900300000000, -0.0002462700000000 ] - [ -0.0001761100000000, -0.0035536600000000, -0.0006208300000000 ] - [ -0.0002284700000000, -0.0005856400000000, -0.0001985800000000 ] - [ -0.0002045900000000, 0.0002893900000000, 0.0001510200000000 ] - [ -0.0001879900000000, 0.0002903900000000, 0.0001478700000000 ] - [ -0.0000169200000000, 0.0000719200000000, 0.0001258000000000 ] - [ -0.0000169900000000, 0.0000747600000000, 0.0001179600000000 ] - [ 0.0000182100000000, 0.0000691300000000, -0.0000793000000000 ] - [ 0.0000168100000000, 0.0000773300000000, -0.0000542800000000 ] - [ -0.0005024800000000, -0.0043867100000000, 0.0001917300000000 ] - [ -0.0012078700000000, 0.0006029900000000, -0.0010332400000000 ] - [ 0.0006942500000000, -0.0038904400000000, -0.0013907400000000 ] - [ 0.0008260800000000, -0.0001077800000000, 0.0012772400000000 ] - [ 0.0000823900000000, -0.0033584000000000, -0.0000628000000000 ] - [ -0.0008730800000000, -0.0874370300000000, -0.0004572400000000 ] - [ 0.0000424700000000, -0.0000035200000000, 0.0000930200000000 ] - [ 0.0000251500000000, 0.0000012100000000, 0.0000952700000000 ] - [ -0.0000255100000000, 0.0000316800000000, 0.0000767800000000 ] - [ -0.0000490200000000, 0.0000197300000000, 0.0000537300000000 ] - [ -0.0000373600000000, 0.0060594400000000, 0.0005361800000000 ] - [ 0.0001006900000000, 0.0003890000000000, -0.0000452500000000 ] - [ -0.0001203000000000, -0.0002213500000000, 0.0004631100000000 ] - [ -0.0001350400000000, -0.0000376000000000, -0.0003031100000000 ] - [ -0.0000359700000000, 0.0046712600000000, 0.0008710700000000 ] - [ 0.0001422000000000, 0.0026954000000000, 0.0005653500000000 ] - [ 0.0001390200000000, 0.0000331200000000, 0.0003615900000000 ] - [ 0.0001509800000000, 0.0000439400000000, 0.0003956200000000 ] - [ 0.0002236700000000, -0.0009108400000000, -0.0000568400000000 ] - [ 0.0001358700000000, 0.0000328900000000, -0.0002455800000000 ] - [ -0.0001094700000000, 0.0003629800000000, -0.0001873000000000 ] - [ -0.0001242800000000, 0.0001865100000000, -0.0001522800000000 ] - [ -0.0001244600000000, -0.0001543900000000, 0.0001876100000000 ] - [ -0.0001146000000000, -0.0001555400000000, 0.0001888400000000 ] - [ 0.0000935600000000, -0.0014665700000000, 0.0001994500000000 ] - [ 0.0002258800000000, -0.0015163800000000, -0.0000884300000000 ] - [ 0.0001167500000000, -0.0000554800000000, -0.0002560500000000 ] - [ 0.0001393300000000, -0.0001148100000000, -0.0001753400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002274600000000, -0.0017020500000000, -0.0010253400000000 ] - [ -0.0001893400000000, 0.0000626700000000, 0.0007324600000000 ] - [ -0.0001974100000000, -0.0000698400000000, -0.0007475500000000 ] - [ 0.0000109500000000, -0.0000508900000000, -0.0006117200000000 ] - [ 0.0003237700000000, -0.0003447400000000, -0.0001431900000000 ] - [ -0.0000019700000000, -0.0008060000000000, -0.0011421900000000 ] - [ 0.0001799400000000, -0.0000894200000000, -0.0004652500000000 ] - [ 0.0001265400000000, -0.0000464000000000, -0.0004161900000000 ] - [ -0.0001642200000000, 0.0019132500000000, 0.0010967600000000 ] - [ 0.0001545900000000, -0.0000122900000000, 0.0013565000000000 ] - [ 0.0000590900000000, 0.0000483000000000, -0.0010592100000000 ] - [ 0.0002372700000000, 0.0000243800000000, -0.0009697300000000 ] - [ 0.0001001300000000, 0.0001896400000000, -0.0000483500000000 ] - [ -0.0006538600000000, 0.0018874400000000, -0.0033741800000000 ] - [ -0.0001119500000000, -0.0000283800000000, -0.0002056500000000 ] - [ -0.0001549700000000, -0.0000412400000000, -0.0001863100000000 ] - [ -0.0018530800000000, 0.0002341100000000, 0.0015965900000000 ] - [ -0.0002323800000000, 0.0001134200000000, 0.0001321800000000 ] - [ -0.0006598700000000, -0.0000309900000000, 0.0005217400000000 ] - [ -0.0004966400000000, -0.0000268700000000, 0.0005941400000000 ] - [ 0.0018029700000000, 0.0001388400000000, -0.0001599900000000 ] - [ 0.0001548800000000, 0.0001353600000000, 0.0003438400000000 ] - [ 0.0008160600000000, -0.0000548200000000, 0.0007897900000000 ] - [ 0.0008992500000000, -0.0000858100000000, 0.0003728400000000 ] - [ -0.0009646800000000, -0.0002164700000000, 0.0008911500000000 ] - [ -0.0003935000000000, -0.0002284800000000, 0.0006794000000000 ] - [ -0.0004592900000000, 0.0006023100000000, 0.0015795100000000 ] - [ -0.0005523000000000, 0.0005390900000000, 0.0012570900000000 ] - [ 0.0008717500000000, -0.0004263700000000, 0.0013858900000000 ] - [ 0.0004008800000000, -0.0003900200000000, 0.0009622800000000 ] - [ 0.0009947100000000, 0.0005358100000000, 0.0001597400000000 ] - [ 0.0002164800000000, 0.0004042700000000, 0.0013877100000000 ] - [ -0.0004216100000000, 0.0006224700000000, 0.0008349700000000 ] - [ 0.0008588800000000, 0.0009344000000000, 0.0014674500000000 ] - [ 0.0000112400000000, -0.0006699900000000, 0.0001625600000000 ] - [ 0.0000233200000000, -0.0006921000000000, 0.0000595400000000 ] - [ 0.0004134700000000, 0.0000103400000000, -0.0001318000000000 ] - [ -0.0005430100000000, 0.0008004700000000, -0.0004218500000000 ] - [ -0.0000361100000000, -0.0008133200000000, 0.0008219400000000 ] - [ -0.0004360100000000, -0.0011766700000000, 0.0011177300000000 ] - [ -0.0008603100000000, -0.0006408700000000, 0.0010154500000000 ] - [ 0.0004543600000000, -0.0006986400000000, 0.0014208700000000 ] - [ -0.0003004000000000, 0.0006739800000000, 0.0002827600000000 ] - [ -0.0003040600000000, 0.0006918900000000, 0.0001731700000000 ] - [ 0.0010708800000000, 0.0004039900000000, 0.0000131000000000 ] - [ -0.0003447800000000, -0.0005473900000000, -0.0002736100000000 ] - [ 0.0001884400000000, 0.0009971400000000, 0.0008110100000000 ] - [ -0.0000787900000000, 0.0012552600000000, 0.0012765600000000 ] - [ 0.0002370700000000, -0.0003459500000000, 0.0005637300000000 ] - [ 0.0002513500000000, -0.0003398300000000, 0.0005531200000000 ] - [ 0.0009889200000000, 0.0019358500000000, -0.0009717300000000 ] - [ 0.0001558200000000, 0.0004746300000000, -0.0005504000000000 ] - [ -0.0000479000000000, 0.0002107500000000, 0.0008906100000000 ] - [ -0.0001042800000000, 0.0001735400000000, 0.0008053000000000 ] - [ 0.0007665200000000, -0.0007026200000000, -0.0022286500000000 ] - [ -0.0241032200000000, 0.0089895500000000, -0.0109105100000000 ] - [ 0.0009269000000000, 0.0005519400000000, -0.0021384100000000 ] - [ -0.0207043600000000, -0.0086877200000000, -0.0120042400000000 ] - [ 0.0002035100000000, -0.0000842300000000, 0.0007904100000000 ] - [ 0.0001562300000000, -0.0000523400000000, 0.0007168400000000 ] - [ 0.0007212300000000, -0.0026485200000000, -0.0009745200000000 ] - [ -0.0001402300000000, -0.0005291600000000, -0.0005556300000000 ] - [ -0.0000331500000000, 0.0003178400000000, 0.0004605100000000 ] - [ -0.0000203300000000, 0.0003188600000000, 0.0004646500000000 ] - [ 0.0150820100000000, -0.0028372500000000, -0.0754450200000000 ] - [ 0.0005875000000000, -0.0001457300000000, -0.0022105500000000 ] - [ 0.0006429700000000, 0.0001444300000000, 0.0007131300000000 ] - [ 0.0005514300000000, 0.0001489600000000, 0.0007123300000000 ] - [ -0.0012087100000000, -0.0000377000000000, -0.0004622000000000 ] - [ 0.0004831400000000, -0.0002429400000000, -0.0014210000000000 ] - [ -0.0006036600000000, 0.0000990700000000, 0.0002644400000000 ] - [ -0.0006064600000000, 0.0001037400000000, 0.0002402200000000 ] - [ -0.0022548100000000, -0.0001924500000000, -0.0027249500000000 ] - [ 0.0401301500000000, -0.0003470600000000, -0.0003516900000000 ] - [ 0.0000207900000000, 0.0002457200000000, 0.0007971300000000 ] - [ 0.0000197400000000, 0.0002485400000000, 0.0007369000000000 ] - [ -0.0002713900000000, -0.0005781100000000, -0.0037412100000000 ] - [ -0.0007194800000000, -0.0003779700000000, -0.0019605400000000 ] - [ -0.0003889600000000, 0.0003286800000000, 0.0012366400000000 ] - [ -0.0004302600000000, 0.0003268100000000, 0.0012426300000000 ] - [ -0.0000026500000000, 0.0000170900000000, -0.0004486100000000 ] - [ -0.0000110100000000, 0.0000093800000000, -0.0004079000000000 ] - [ 0.0000184100000000, 0.0001290400000000, -0.0005987700000000 ] - [ 0.0000344400000000, 0.0001115700000000, -0.0006710800000000 ] - [ 0.0000264300000000, -0.0002755600000000, 0.0032153000000000 ] - [ 0.0003263200000000, 0.0002751500000000, 0.0024228100000000 ] - [ -0.0002044300000000, 0.0010669900000000, 0.0035756800000000 ] - [ -0.0006810600000000, -0.0015058900000000, 0.0019342100000000 ] - [ 0.0002657700000000, 0.0000238500000000, 0.0059751800000000 ] - [ -0.0100684100000000, 0.0003553500000000, 0.0885342700000000 ] - [ 0.0000713500000000, 0.0000905100000000, -0.0016585700000000 ] - [ 0.0000768000000000, 0.0000745400000000, -0.0016559200000000 ] - [ -0.0000730500000000, -0.0000290800000000, -0.0016356800000000 ] - [ 0.0000640900000000, -0.0000280200000000, -0.0015001700000000 ] - [ -0.0018218900000000, 0.0004640800000000, 0.0068786100000000 ] - [ 0.0009788200000000, 0.0000187100000000, 0.0025549200000000 ] - [ 0.0001603100000000, 0.0001178500000000, -0.0031239100000000 ] - [ -0.0003480000000000, -0.0001628100000000, -0.0016603400000000 ] - [ -0.0021101700000000, -0.0000341700000000, -0.0005442100000000 ] - [ 0.0006880200000000, -0.0001319800000000, -0.0002860900000000 ] - [ 0.0002241700000000, -0.0000552800000000, -0.0009152900000000 ] - [ 0.0000604000000000, -0.0000850400000000, -0.0013008400000000 ] - [ 0.0022539400000000, -0.0000998100000000, -0.0028617200000000 ] - [ -0.0012826000000000, -0.0002372400000000, -0.0024887100000000 ] - [ 0.0001221100000000, 0.0002243200000000, -0.0004942800000000 ] - [ -0.0003542100000000, 0.0002263600000000, -0.0003091100000000 ] - [ -0.0001089200000000, -0.0000730200000000, -0.0004548200000000 ] - [ -0.0001853800000000, -0.0000674300000000, -0.0005778200000000 ] - [ 0.0001232900000000, -0.0001470000000000, 0.0036044800000000 ] - [ 0.0010895400000000, 0.0001963100000000, -0.0002273400000000 ] - [ 0.0001733100000000, -0.0001211900000000, -0.0007205700000000 ] - [ 0.0000194500000000, -0.0001456900000000, -0.0006056400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004612000000000, 0.0016410000000000, 0.0013775300000000 ] - [ -0.0000833000000000, -0.0001285100000000, -0.0003991300000000 ] - [ -0.0000635800000000, 0.0001331900000000, 0.0004100500000000 ] - [ -0.0002731400000000, 0.0001128800000000, 0.0002798500000000 ] - [ -0.0000650000000000, 0.0002803900000000, -0.0001901500000000 ] - [ 0.0002699200000000, 0.0007423000000000, 0.0008048000000000 ] - [ 0.0000814900000000, 0.0001554900000000, 0.0008005400000000 ] - [ 0.0001345800000000, 0.0001108100000000, 0.0007498000000000 ] - [ 0.0004659300000000, -0.0018875600000000, -0.0003407900000000 ] - [ 0.0001100300000000, 0.0000561000000000, -0.0006105600000000 ] - [ 0.0002199300000000, -0.0000893600000000, 0.0003099000000000 ] - [ 0.0000407200000000, -0.0000661200000000, 0.0002237800000000 ] - [ -0.0003797700000000, -0.0001510400000000, -0.0006964400000000 ] - [ 0.0004038200000000, -0.0018446700000000, 0.0026205600000000 ] - [ -0.0001671300000000, -0.0000104600000000, 0.0009519500000000 ] - [ -0.0001231600000000, 0.0000020400000000, 0.0009335200000000 ] - [ 0.0004000800000000, -0.0000673100000000, -0.0017769700000000 ] - [ -0.0012134900000000, 0.0000537700000000, -0.0003045200000000 ] - [ -0.0007855200000000, -0.0001352400000000, -0.0003488400000000 ] - [ -0.0009530800000000, -0.0001402400000000, -0.0004215500000000 ] - [ -0.0003480900000000, 0.0000287400000000, 0.0003342200000000 ] - [ 0.0012951600000000, 0.0000327700000000, -0.0001811800000000 ] - [ 0.0006162000000000, -0.0001110500000000, -0.0009630400000000 ] - [ 0.0005593100000000, -0.0000817900000000, -0.0005428000000000 ] - [ -0.0001100100000000, -0.0005608200000000, -0.0019968700000000 ] - [ -0.0006794400000000, -0.0005482300000000, -0.0017757200000000 ] - [ -0.0006165400000000, 0.0001749600000000, -0.0004751600000000 ] - [ -0.0005214400000000, 0.0002384900000000, -0.0001605900000000 ] - [ 0.0002047100000000, -0.0003504600000000, -0.0002743900000000 ] - [ 0.0006750000000000, -0.0003859700000000, 0.0001330100000000 ] - [ 0.0000893100000000, 0.0002444100000000, -0.0012633600000000 ] - [ 0.0008472300000000, 0.0003748000000000, -0.0024971500000000 ] - [ 0.0006780800000000, 0.0009753800000000, -0.0001302200000000 ] - [ -0.0005991200000000, 0.0006643100000000, -0.0007526600000000 ] - [ 0.0002445900000000, -0.0009296000000000, -0.0008716200000000 ] - [ 0.0002328600000000, -0.0009054800000000, -0.0007682900000000 ] - [ -0.0006735500000000, 0.0015846700000000, -0.0005749900000000 ] - [ 0.0002946400000000, 0.0008002100000000, -0.0002920300000000 ] - [ -0.0002162800000000, -0.0007822600000000, -0.0001101500000000 ] - [ 0.0001801400000000, -0.0004206100000000, -0.0004115900000000 ] - [ 0.0004030800000000, -0.0009404200000000, -0.0003834500000000 ] - [ -0.0009078400000000, -0.0008836500000000, -0.0007755200000000 ] - [ -0.0001584200000000, 0.0009073800000000, -0.0009208200000000 ] - [ -0.0001567300000000, 0.0008835700000000, -0.0008068700000000 ] - [ -0.0006155300000000, -0.0019791400000000, -0.0006485200000000 ] - [ 0.0008129500000000, -0.0010408800000000, -0.0003731200000000 ] - [ 0.0002718200000000, 0.0005827500000000, -0.0001712800000000 ] - [ 0.0005349300000000, 0.0003279300000000, -0.0006380600000000 ] - [ 0.0000823000000000, 0.0001860800000000, -0.0009174900000000 ] - [ 0.0000661800000000, 0.0001867900000000, -0.0009100300000000 ] - [ -0.0006776400000000, -0.0017801700000000, 0.0013276600000000 ] - [ 0.0001666600000000, -0.0003187900000000, 0.0009068200000000 ] - [ -0.0002701100000000, -0.0003614900000000, -0.0005307100000000 ] - [ -0.0002146100000000, -0.0003291500000000, -0.0004514900000000 ] - [ -0.0010569800000000, 0.0008569900000000, 0.0018692900000000 ] - [ 0.0237076100000000, -0.0086928800000000, 0.0104230900000000 ] - [ -0.0006851800000000, -0.0008368300000000, 0.0018183600000000 ] - [ 0.0208765100000000, 0.0082832600000000, 0.0115644300000000 ] - [ 0.0000117400000000, 0.0003627600000000, -0.0004676100000000 ] - [ 0.0000616600000000, 0.0003296500000000, -0.0003946400000000 ] - [ -0.0009479900000000, 0.0023727800000000, 0.0012987300000000 ] - [ -0.0000710200000000, 0.0002471200000000, 0.0008764200000000 ] - [ -0.0001798000000000, -0.0000285000000000, -0.0007767000000000 ] - [ -0.0001953000000000, -0.0000380600000000, -0.0007851600000000 ] - [ -0.0153594200000000, 0.0026845700000000, 0.0752439800000000 ] - [ 0.0006366600000000, -0.0001070900000000, 0.0017187400000000 ] - [ 0.0005444800000000, 0.0001097100000000, -0.0002203100000000 ] - [ 0.0006371500000000, 0.0001065400000000, -0.0002208800000000 ] - [ 0.0000276700000000, -0.0002171200000000, 0.0009528700000000 ] - [ -0.0016887500000000, -0.0000118300000000, 0.0019223000000000 ] - [ -0.0005875900000000, 0.0001546100000000, -0.0007568900000000 ] - [ -0.0005812500000000, 0.0001502900000000, -0.0007319700000000 ] - [ 0.0026875100000000, -0.0003863800000000, 0.0031235700000000 ] - [ -0.0402041900000000, -0.0002218500000000, 0.0006362800000000 ] - [ 0.0003941700000000, 0.0003350600000000, -0.0012065500000000 ] - [ 0.0003933000000000, 0.0003335700000000, -0.0011416400000000 ] - [ -0.0001514500000000, -0.0000023700000000, 0.0033508000000000 ] - [ 0.0003131600000000, -0.0002029700000000, 0.0015634600000000 ] - [ -0.0000228300000000, 0.0002514900000000, -0.0008393800000000 ] - [ 0.0000174100000000, 0.0002539500000000, -0.0008401100000000 ] - [ -0.0000308300000000, 0.0001283600000000, 0.0006419100000000 ] - [ -0.0000235100000000, 0.0001359800000000, 0.0006015700000000 ] - [ 0.0000148300000000, 0.0000158500000000, 0.0004051300000000 ] - [ 0.0000002100000000, 0.0000334100000000, 0.0004789900000000 ] - [ 0.0000074000000000, 0.0000971300000000, -0.0030043100000000 ] - [ -0.0003139200000000, -0.0004083900000000, -0.0022395000000000 ] - [ 0.0002393500000000, -0.0012937000000000, -0.0037866800000000 ] - [ 0.0006284600000000, 0.0013485600000000, -0.0021409100000000 ] - [ -0.0004120300000000, -0.0000370900000000, -0.0059439400000000 ] - [ 0.0118869800000000, -0.0003685200000000, -0.0886531500000000 ] - [ -0.0000011600000000, -0.0000804400000000, 0.0016764400000000 ] - [ -0.0000069900000000, -0.0000639100000000, 0.0016744100000000 ] - [ 0.0000019100000000, 0.0000399100000000, 0.0016172200000000 ] - [ -0.0001349000000000, 0.0000397200000000, 0.0014840400000000 ] - [ 0.0019119000000000, -0.0004746600000000, -0.0069242900000000 ] - [ -0.0009226800000000, -0.0000296700000000, -0.0025765900000000 ] - [ -0.0004400300000000, -0.0000769100000000, 0.0025664600000000 ] - [ 0.0000435100000000, 0.0002021700000000, 0.0010908500000000 ] - [ 0.0018085900000000, -0.0000064600000000, 0.0010999000000000 ] - [ -0.0009874900000000, 0.0000922700000000, 0.0008693300000000 ] - [ 0.0000664500000000, 0.0000972700000000, 0.0014783000000000 ] - [ 0.0002332300000000, 0.0001270300000000, 0.0018623500000000 ] - [ -0.0019638700000000, 0.0000577500000000, 0.0023147300000000 ] - [ 0.0015637800000000, 0.0001970000000000, 0.0019164300000000 ] - [ -0.0003641800000000, 0.0000696000000000, 0.0001659300000000 ] - [ 0.0001106500000000, 0.0000682400000000, -0.0000214600000000 ] - [ -0.0001352800000000, -0.0002217900000000, 0.0007841800000000 ] - [ -0.0000558900000000, -0.0002272500000000, 0.0009070700000000 ] - [ 0.0002228600000000, 0.0004233500000000, -0.0030763500000000 ] - [ -0.0008650200000000, 0.0000987400000000, 0.0005759900000000 ] - [ 0.0000730800000000, -0.0001728100000000, 0.0003929800000000 ] - [ 0.0002193800000000, -0.0001479900000000, 0.0002765900000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004788600000000, 0.0000015800000000, 0.0004241300000000 ] - [ 0.0002329900000000, -0.0005989100000000, -0.0001351300000000 ] - [ -0.0000786500000000, -0.0000368300000000, -0.0002927100000000 ] - [ -0.0001558900000000, 0.0000240600000000, -0.0004580500000000 ] - [ 0.0017227300000000, -0.0002840700000000, -0.0001708000000000 ] - [ -0.0006460900000000, -0.0002231200000000, -0.0001998400000000 ] - [ 0.0001314700000000, -0.0001920600000000, -0.0003308300000000 ] - [ 0.0001448600000000, 0.0001403600000000, 0.0001358300000000 ] - [ -0.0002806100000000, 0.0000144400000000, 0.0008846000000000 ] - [ 0.0007684900000000, 0.0005562700000000, 0.0002738600000000 ] - [ 0.0001734200000000, -0.0000002400000000, -0.0006102200000000 ] - [ 0.0001078400000000, 0.0000039100000000, -0.0006560900000000 ] - [ 0.0062189500000000, 0.0043425500000000, -0.0063006600000000 ] - [ -0.0012891500000000, 0.0000919300000000, -0.0001941300000000 ] - [ -0.0001451500000000, -0.0000021900000000, 0.0001121900000000 ] - [ -0.0001336500000000, -0.0000400900000000, 0.0001796000000000 ] - [ 0.0006007300000000, -0.0000059400000000, 0.0003432900000000 ] - [ -0.0002706300000000, 0.0000430200000000, -0.0017924400000000 ] - [ -0.0009670100000000, -0.0000407300000000, 0.0002700700000000 ] - [ -0.0004043500000000, -0.0000734500000000, 0.0002470300000000 ] - [ 0.0003415600000000, 0.0000554900000000, 0.0000700500000000 ] - [ 0.0014172400000000, 0.0001244900000000, 0.0000377600000000 ] - [ 0.0009087200000000, -0.0000861500000000, 0.0000987900000000 ] - [ 0.0006028600000000, -0.0000587500000000, 0.0002754700000000 ] - [ -0.0002547600000000, -0.0003024300000000, 0.0014736900000000 ] - [ -0.0002251500000000, -0.0004550300000000, -0.0011108000000000 ] - [ -0.0002378100000000, 0.0004832500000000, 0.0009029800000000 ] - [ -0.0008583700000000, 0.0004633600000000, 0.0007295100000000 ] - [ 0.0004470900000000, -0.0003854200000000, 0.0004225700000000 ] - [ 0.0007528800000000, -0.0004078200000000, 0.0012021300000000 ] - [ 0.0002735100000000, 0.0004075700000000, 0.0001257800000000 ] - [ 0.0008669200000000, 0.0004544000000000, -0.0002276300000000 ] - [ 0.0007528300000000, 0.0006605300000000, 0.0030855800000000 ] - [ 0.0005751500000000, 0.0008946100000000, 0.0001005100000000 ] - [ 0.0002051900000000, -0.0008101200000000, -0.0001692100000000 ] - [ -0.0000348700000000, -0.0007073800000000, -0.0002035500000000 ] - [ -0.0002673000000000, 0.0008376600000000, -0.0005585600000000 ] - [ 0.0000716000000000, 0.0003931300000000, -0.0000191200000000 ] - [ -0.0003032500000000, -0.0009601600000000, 0.0006270400000000 ] - [ -0.0000287800000000, -0.0007734400000000, 0.0005561600000000 ] - [ 0.0010131400000000, -0.0005021000000000, 0.0040598300000000 ] - [ 0.0001985200000000, -0.0008113300000000, -0.0001007400000000 ] - [ -0.0000889500000000, 0.0008438900000000, -0.0000943000000000 ] - [ -0.0004090800000000, 0.0006828000000000, -0.0001519100000000 ] - [ -0.0000030000000000, -0.0008817300000000, -0.0006419600000000 ] - [ 0.0005718600000000, -0.0001191100000000, 0.0001826100000000 ] - [ 0.0000513900000000, 0.0009842200000000, 0.0006629900000000 ] - [ 0.0002660100000000, 0.0008568200000000, 0.0005241200000000 ] - [ 0.0001744600000000, -0.0002151100000000, 0.0002327500000000 ] - [ 0.0002074700000000, -0.0001533400000000, 0.0000177300000000 ] - [ 0.0012471900000000, 0.0007482200000000, -0.0001918800000000 ] - [ -0.0012564900000000, -0.0007758000000000, -0.0002587300000000 ] - [ -0.0001300600000000, 0.0000205400000000, 0.0004169400000000 ] - [ -0.0001224900000000, 0.0000405900000000, 0.0004764500000000 ] - [ -0.0164773200000000, -0.0037511900000000, -0.0062941000000000 ] - [ 0.0030314600000000, -0.0009824600000000, -0.0010781800000000 ] - [ -0.0158562300000000, 0.0044353500000000, -0.0063787600000000 ] - [ 0.0032622200000000, 0.0009228800000000, -0.0009837300000000 ] - [ 0.0001324000000000, 0.0000622900000000, 0.0003815000000000 ] - [ 0.0001404500000000, 0.0000499500000000, 0.0004156900000000 ] - [ 0.0009123600000000, -0.0008056800000000, -0.0002267300000000 ] - [ -0.0016764500000000, 0.0017826700000000, -0.0003750500000000 ] - [ -0.0000887600000000, 0.0002050800000000, 0.0001413100000000 ] - [ -0.0000618500000000, 0.0002165400000000, 0.0000481400000000 ] - [ 0.0081743500000000, -0.0000473100000000, -0.0026981700000000 ] - [ 0.0259670600000000, -0.0010605300000000, 0.0403916100000000 ] - [ 0.0005573900000000, 0.0001340100000000, 0.0004324500000000 ] - [ 0.0006371200000000, 0.0001355800000000, 0.0004322400000000 ] - [ -0.0034793400000000, -0.0000827700000000, 0.0001904300000000 ] - [ 0.0010260400000000, -0.0001527500000000, -0.0002679300000000 ] - [ -0.0005632500000000, 0.0001074600000000, -0.0000240000000000 ] - [ -0.0006343500000000, 0.0001247600000000, -0.0000643600000000 ] - [ -0.1323380100000000, -0.0087371200000000, -0.1268602000000000 ] - [ 0.0028844700000000, -0.0002329700000000, 0.0002232500000000 ] - [ 0.0001334500000000, 0.0002717200000000, 0.0001815000000000 ] - [ 0.0001318500000000, 0.0002746300000000, 0.0001861100000000 ] - [ 0.0003768800000000, -0.0003388400000000, -0.0008176200000000 ] - [ -0.0013607300000000, -0.0002887700000000, -0.0010381100000000 ] - [ -0.0003046100000000, 0.0002955400000000, 0.0006685700000000 ] - [ -0.0002702400000000, 0.0003147800000000, 0.0005722600000000 ] - [ -0.0000568200000000, 0.0000486900000000, -0.0001166000000000 ] - [ 0.0000311400000000, 0.0000458500000000, -0.0001120800000000 ] - [ 0.0000593600000000, 0.0000917800000000, -0.0003193000000000 ] - [ -0.0000156500000000, 0.0000948600000000, -0.0002998800000000 ] - [ -0.0014210600000000, 0.0033352500000000, 0.0026000500000000 ] - [ -0.0014993800000000, -0.0027986000000000, 0.0006526000000000 ] - [ 0.0034524100000000, 0.0016072600000000, -0.0000811200000000 ] - [ -0.0021502400000000, 0.0022225200000000, 0.0014558000000000 ] - [ 0.1273114000000000, -0.0018465100000000, 0.1035263900000000 ] - [ -0.0095633900000000, -0.0000325300000000, 0.0007774700000000 ] - [ 0.0000056200000000, 0.0000953200000000, -0.0007940900000000 ] - [ 0.0000914500000000, -0.0000173200000000, -0.0005446600000000 ] - [ 0.0000266100000000, 0.0000011800000000, -0.0006058600000000 ] - [ -0.0000778200000000, -0.0000172800000000, -0.0006575200000000 ] - [ -0.0024707700000000, 0.0000263000000000, 0.0014761400000000 ] - [ 0.0055113900000000, -0.0005209300000000, -0.0001621600000000 ] - [ -0.0004175700000000, -0.0000671100000000, -0.0008780200000000 ] - [ 0.0002340800000000, 0.0000440200000000, -0.0013162500000000 ] - [ 0.0003976900000000, 0.0000778100000000, 0.0005417600000000 ] - [ -0.0014775500000000, -0.0001429300000000, -0.0005679800000000 ] - [ 0.0006261600000000, 0.0000218900000000, -0.0001358800000000 ] - [ -0.0002999200000000, -0.0000554400000000, -0.0002485900000000 ] - [ -0.0025488000000000, 0.0005261700000000, -0.0040898700000000 ] - [ -0.0012688300000000, -0.0000694400000000, 0.0007959700000000 ] - [ -0.0001278600000000, 0.0002562100000000, -0.0004635100000000 ] - [ -0.0003205800000000, 0.0001032800000000, 0.0000875300000000 ] - [ 0.0002364700000000, -0.0001303300000000, -0.0000728600000000 ] - [ -0.0004549800000000, -0.0001038800000000, -0.0001285800000000 ] - [ 0.0005331600000000, 0.0001749600000000, 0.0006894400000000 ] - [ -0.0008037400000000, 0.0001908500000000, -0.0017273900000000 ] - [ -0.0000106000000000, -0.0001448100000000, -0.0003457900000000 ] - [ 0.0002355700000000, -0.0001367200000000, -0.0003760200000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002095800000000, -0.0000704800000000, -0.0000995800000000 ] - [ -0.0004752600000000, 0.0005541600000000, 0.0004921200000000 ] - [ -0.0001850600000000, 0.0001002100000000, -0.0000389000000000 ] - [ -0.0001048900000000, 0.0000411100000000, 0.0001247100000000 ] - [ -0.0014681600000000, 0.0002216800000000, -0.0001703800000000 ] - [ 0.0009104300000000, 0.0001610100000000, -0.0001322300000000 ] - [ 0.0001288000000000, 0.0002584300000000, 0.0006697300000000 ] - [ 0.0001159200000000, -0.0000754200000000, 0.0002008400000000 ] - [ 0.0005493900000000, 0.0000323400000000, -0.0001483300000000 ] - [ -0.0004717900000000, -0.0005426100000000, 0.0004749600000000 ] - [ 0.0001031900000000, -0.0000414800000000, -0.0001328300000000 ] - [ 0.0001715000000000, -0.0000474100000000, -0.0000870600000000 ] - [ -0.0066248200000000, -0.0043146400000000, 0.0055246600000000 ] - [ 0.0010194900000000, -0.0000534700000000, -0.0005467700000000 ] - [ -0.0001346800000000, -0.0000374200000000, 0.0006358200000000 ] - [ -0.0001445700000000, 0.0000001700000000, 0.0005684900000000 ] - [ -0.0020496800000000, 0.0001726700000000, -0.0005223200000000 ] - [ -0.0011828200000000, 0.0001248100000000, 0.0016130700000000 ] - [ -0.0004769000000000, -0.0001261100000000, -0.0000976000000000 ] - [ -0.0010452300000000, -0.0000943800000000, -0.0000757800000000 ] - [ 0.0011198400000000, 0.0001138400000000, 0.0000946000000000 ] - [ 0.0000218600000000, 0.0000429600000000, 0.0001390000000000 ] - [ 0.0005359700000000, -0.0000816300000000, -0.0002738700000000 ] - [ 0.0008369700000000, -0.0001078400000000, -0.0004530200000000 ] - [ -0.0008199900000000, -0.0004756700000000, -0.0025851800000000 ] - [ -0.0008506800000000, -0.0003216900000000, 0.0000106800000000 ] - [ -0.0008385400000000, 0.0002924000000000, 0.0001927400000000 ] - [ -0.0002156700000000, 0.0003131300000000, 0.0003633100000000 ] - [ 0.0006323600000000, -0.0003896100000000, 0.0006727100000000 ] - [ 0.0003191800000000, -0.0003687800000000, -0.0000967400000000 ] - [ 0.0007926500000000, 0.0003721600000000, -0.0012544200000000 ] - [ 0.0002118600000000, 0.0003221300000000, -0.0008687200000000 ] - [ -0.0005061300000000, 0.0009391300000000, -0.0024033800000000 ] - [ -0.0003241800000000, 0.0006999100000000, 0.0006037500000000 ] - [ 0.0000494400000000, -0.0007873400000000, -0.0005407400000000 ] - [ 0.0002893900000000, -0.0008876500000000, -0.0005047900000000 ] - [ 0.0000223500000000, 0.0007596900000000, -0.0001475100000000 ] - [ -0.0003355000000000, 0.0012043300000000, -0.0006896000000000 ] - [ 0.0000489900000000, -0.0006323000000000, 0.0000737300000000 ] - [ -0.0002223700000000, -0.0008192000000000, 0.0001506300000000 ] - [ -0.0014796300000000, -0.0010889100000000, -0.0034494100000000 ] - [ -0.0006607900000000, -0.0007683600000000, 0.0007343800000000 ] - [ -0.0003702700000000, 0.0007364900000000, -0.0005451900000000 ] - [ -0.0000525800000000, 0.0008911300000000, -0.0004818700000000 ] - [ 0.0004718400000000, -0.0007033300000000, 0.0000035200000000 ] - [ -0.0001225600000000, -0.0014595500000000, -0.0008187700000000 ] - [ 0.0004081200000000, 0.0005905300000000, -0.0000344100000000 ] - [ 0.0001937200000000, 0.0007230800000000, 0.0001138800000000 ] - [ 0.0001451700000000, 0.0000533000000000, -0.0005876500000000 ] - [ 0.0001100100000000, -0.0000021900000000, -0.0003749500000000 ] - [ -0.0009288000000000, -0.0005864300000000, 0.0005420100000000 ] - [ 0.0015730700000000, 0.0009363600000000, 0.0006181200000000 ] - [ -0.0001888000000000, -0.0001764400000000, -0.0000639700000000 ] - [ -0.0001988900000000, -0.0002008300000000, -0.0001271900000000 ] - [ 0.0160632400000000, 0.0038621600000000, 0.0056956200000000 ] - [ -0.0033592100000000, 0.0011541600000000, 0.0007344200000000 ] - [ 0.0159755500000000, -0.0046852700000000, 0.0058632200000000 ] - [ -0.0030570600000000, -0.0012226800000000, 0.0006748500000000 ] - [ 0.0000830700000000, 0.0002191500000000, -0.0000634200000000 ] - [ 0.0000755600000000, 0.0002305400000000, -0.0000971200000000 ] - [ -0.0011320500000000, 0.0005255000000000, 0.0005473000000000 ] - [ 0.0014561800000000, -0.0020638300000000, 0.0007004800000000 ] - [ -0.0001249700000000, 0.0000844900000000, -0.0004596500000000 ] - [ -0.0001547500000000, 0.0000652800000000, -0.0003698800000000 ] - [ -0.0070486400000000, -0.0002093200000000, 0.0022453600000000 ] - [ -0.0239136000000000, 0.0007817300000000, -0.0399479600000000 ] - [ 0.0006298500000000, 0.0001205000000000, 0.0000572200000000 ] - [ 0.0005501700000000, 0.0001201000000000, 0.0000572200000000 ] - [ 0.0023047300000000, -0.0001697100000000, 0.0003080400000000 ] - [ -0.0022265200000000, -0.0001026100000000, 0.0007625400000000 ] - [ -0.0006268300000000, 0.0001467400000000, -0.0004704800000000 ] - [ -0.0005538800000000, 0.0001295800000000, -0.0004291000000000 ] - [ 0.1326483400000000, 0.0085755100000000, 0.1242181700000000 ] - [ -0.0024796600000000, -0.0003478500000000, 0.0001715600000000 ] - [ 0.0002812700000000, 0.0003097500000000, -0.0005923000000000 ] - [ 0.0002801600000000, 0.0003081100000000, -0.0005907400000000 ] - [ -0.0007887500000000, -0.0002427500000000, 0.0004273000000000 ] - [ 0.0009446200000000, -0.0002901500000000, 0.0006550000000000 ] - [ -0.0001052600000000, 0.0002847800000000, -0.0002801000000000 ] - [ -0.0001417700000000, 0.0002664200000000, -0.0001765800000000 ] - [ 0.0000217500000000, 0.0000979400000000, 0.0003084200000000 ] - [ -0.0000665100000000, 0.0001008700000000, 0.0003032800000000 ] - [ -0.0000243400000000, 0.0000547100000000, 0.0001364000000000 ] - [ 0.0000502200000000, 0.0000507300000000, 0.0001134600000000 ] - [ 0.0014323800000000, -0.0034950000000000, -0.0024281700000000 ] - [ 0.0015421500000000, 0.0026392400000000, -0.0004598200000000 ] - [ -0.0036985300000000, -0.0020160500000000, -0.0001064400000000 ] - [ 0.0021216200000000, -0.0023571400000000, -0.0016412400000000 ] - [ -0.1274604000000000, 0.0017530100000000, -0.1009345900000000 ] - [ 0.0095114500000000, 0.0000217600000000, -0.0007590400000000 ] - [ 0.0000627400000000, -0.0000862100000000, 0.0008202400000000 ] - [ -0.0000210600000000, 0.0000270600000000, 0.0005691100000000 ] - [ -0.0000991800000000, 0.0000092700000000, 0.0005962800000000 ] - [ 0.0000073800000000, 0.0000281600000000, 0.0006471800000000 ] - [ 0.0025481500000000, -0.0000391200000000, -0.0015064800000000 ] - [ -0.0054644300000000, 0.0005091200000000, 0.0001245500000000 ] - [ 0.0001195200000000, 0.0001084500000000, 0.0003134800000000 ] - [ -0.0005197400000000, -0.0000033000000000, 0.0007808200000000 ] - [ -0.0007171100000000, -0.0001208400000000, 0.0000306100000000 ] - [ 0.0011948300000000, 0.0000996500000000, 0.0011280000000000 ] - [ -0.0003367000000000, 0.0000208100000000, 0.0007010900000000 ] - [ 0.0005929900000000, 0.0000982800000000, 0.0008175200000000 ] - [ 0.0028470100000000, -0.0005641000000000, 0.0035493200000000 ] - [ 0.0015675000000000, 0.0000282800000000, -0.0013529700000000 ] - [ -0.0001176800000000, 0.0000363200000000, 0.0001361700000000 ] - [ 0.0000808500000000, 0.0001906500000000, -0.0004176000000000 ] - [ -0.0004812900000000, -0.0001646900000000, 0.0004053100000000 ] - [ 0.0002130000000000, -0.0001908100000000, 0.0004613400000000 ] - [ -0.0003149900000000, 0.0001196900000000, -0.0003553100000000 ] - [ 0.0010565900000000, 0.0001034900000000, 0.0020457500000000 ] - [ 0.0002515800000000, -0.0001489500000000, 0.0000175800000000 ] - [ 0.0000086000000000, -0.0001576800000000, 0.0000504600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000258700000000, -0.0000112200000000, 0.0001257600000000 ] - [ -0.0013232000000000, -0.0017325300000000, -0.0016681200000000 ] - [ -0.0000919800000000, 0.0000136400000000, -0.0001334400000000 ] - [ -0.0001652500000000, -0.0000083400000000, -0.0001193300000000 ] - [ 0.0004743600000000, -0.0001835600000000, -0.0016799600000000 ] - [ 0.0000372000000000, 0.0000116800000000, -0.0002837100000000 ] - [ 0.0001276800000000, 0.0000415500000000, 0.0001914400000000 ] - [ 0.0001279300000000, 0.0000479700000000, 0.0002141800000000 ] - [ -0.0000225800000000, -0.0001019800000000, 0.0003265700000000 ] - [ 0.0017381700000000, -0.0035076500000000, 0.0008152100000000 ] - [ 0.0001625200000000, -0.0000127900000000, -0.0003118600000000 ] - [ 0.0001144300000000, 0.0000031100000000, -0.0003253500000000 ] - [ 0.0037542200000000, 0.0089705500000000, -0.0088515000000000 ] - [ -0.0000466200000000, 0.0001263000000000, -0.0004259600000000 ] - [ -0.0001365100000000, -0.0000266600000000, 0.0004255100000000 ] - [ -0.0001420900000000, -0.0000237700000000, 0.0004239600000000 ] - [ -0.0008187200000000, -0.0005913800000000, -0.0000412700000000 ] - [ -0.0004325600000000, -0.0006687700000000, -0.0002136700000000 ] - [ -0.0007198500000000, -0.0000624700000000, 0.0000772900000000 ] - [ -0.0007145700000000, -0.0000795500000000, 0.0000599900000000 ] - [ 0.0009332100000000, 0.0015738700000000, -0.0000376100000000 ] - [ 0.0006235600000000, 0.0004113100000000, 0.0001075100000000 ] - [ 0.0007066400000000, -0.0001019600000000, -0.0001625100000000 ] - [ 0.0009137400000000, -0.0001403000000000, 0.0000900400000000 ] - [ -0.0006045300000000, -0.0013136500000000, -0.0005152900000000 ] - [ -0.0004427200000000, -0.0004462100000000, -0.0006625200000000 ] - [ -0.0005263700000000, 0.0004172200000000, 0.0005368500000000 ] - [ -0.0005654900000000, 0.0005176800000000, 0.0006142400000000 ] - [ 0.0006047800000000, -0.0000821900000000, 0.0004753800000000 ] - [ 0.0005078600000000, -0.0000823200000000, 0.0004195200000000 ] - [ 0.0006204400000000, -0.0001862000000000, 0.0002795900000000 ] - [ 0.0005527500000000, 0.0003497700000000, -0.0006599000000000 ] - [ -0.0011730400000000, -0.0008139300000000, -0.0014731800000000 ] - [ 0.0002339400000000, 0.0006325000000000, 0.0002726600000000 ] - [ 0.0001232900000000, -0.0007832600000000, -0.0003807400000000 ] - [ 0.0001150300000000, -0.0007372200000000, -0.0003666000000000 ] - [ 0.0000375800000000, 0.0017584600000000, -0.0007286400000000 ] - [ -0.0008017900000000, 0.0016547200000000, -0.0006785300000000 ] - [ -0.0002537400000000, -0.0010874100000000, 0.0004689300000000 ] - [ -0.0001091400000000, -0.0007990000000000, 0.0002972500000000 ] - [ 0.0010698700000000, -0.0021671000000000, 0.0028669500000000 ] - [ -0.0000920000000000, -0.0010520700000000, 0.0005190800000000 ] - [ -0.0002224400000000, 0.0007982100000000, -0.0003487300000000 ] - [ -0.0002299000000000, 0.0007911900000000, -0.0003405800000000 ] - [ 0.0000794000000000, 0.0002200100000000, 0.0003633200000000 ] - [ 0.0007272400000000, -0.0001157300000000, -0.0000358600000000 ] - [ 0.0001943200000000, 0.0008371900000000, 0.0004406400000000 ] - [ 0.0002533200000000, 0.0007636000000000, 0.0002513400000000 ] - [ 0.0001466100000000, -0.0000632000000000, -0.0002295700000000 ] - [ 0.0001556000000000, -0.0000599100000000, -0.0002360600000000 ] - [ 0.0006012800000000, 0.0007076800000000, 0.0002409300000000 ] - [ -0.0007156200000000, 0.0063961100000000, 0.0003454400000000 ] - [ -0.0001728400000000, -0.0000898800000000, 0.0001184000000000 ] - [ -0.0001616200000000, -0.0000845800000000, 0.0001158400000000 ] - [ 0.0054638100000000, -0.0009876500000000, 0.0384391100000000 ] - [ -0.0001054500000000, -0.0000756300000000, -0.0001974500000000 ] - [ -0.0068234000000000, 0.0036116500000000, -0.0408578100000000 ] - [ 0.0000387500000000, -0.0003084100000000, 0.0000064500000000 ] - [ 0.0000954200000000, 0.0001598800000000, 0.0000981600000000 ] - [ 0.0001000600000000, 0.0001533000000000, 0.0000987900000000 ] - [ -0.0005376200000000, 0.0005263200000000, 0.0003156100000000 ] - [ 0.0015020100000000, 0.0079017000000000, 0.0000284900000000 ] - [ -0.0001204300000000, 0.0001273000000000, -0.0002117300000000 ] - [ -0.0001099400000000, 0.0001290500000000, -0.0002100900000000 ] - [ 0.0007134300000000, -0.0010562400000000, -0.0001435500000000 ] - [ -0.0000520600000000, -0.0160910900000000, -0.0003901700000000 ] - [ 0.0005917600000000, 0.0001298000000000, 0.0001998500000000 ] - [ 0.0006025700000000, 0.0001280000000000, 0.0002016300000000 ] - [ -0.0007535400000000, 0.0031385000000000, 0.0005403400000000 ] - [ -0.0005386700000000, 0.0001681200000000, 0.0003379700000000 ] - [ -0.0006038600000000, 0.0001264400000000, -0.0002845500000000 ] - [ -0.0005833100000000, 0.0001272500000000, -0.0002865900000000 ] - [ -0.0079465300000000, -0.0874943100000000, 0.0246271500000000 ] - [ 0.0002600600000000, -0.0003557100000000, 0.0004280600000000 ] - [ 0.0002242400000000, 0.0002968300000000, -0.0002909200000000 ] - [ 0.0002255200000000, 0.0002973500000000, -0.0002877400000000 ] - [ -0.0001586200000000, 0.0001906800000000, 0.0000105800000000 ] - [ -0.0002015400000000, 0.0020538700000000, 0.0007812600000000 ] - [ -0.0001987500000000, 0.0002820200000000, 0.0001225900000000 ] - [ -0.0001807100000000, 0.0002863500000000, 0.0001204600000000 ] - [ -0.0000193400000000, 0.0000811600000000, 0.0001420800000000 ] - [ -0.0000180500000000, 0.0000842900000000, 0.0001392200000000 ] - [ 0.0000151500000000, 0.0000569700000000, -0.0000679600000000 ] - [ 0.0000148000000000, 0.0000649300000000, -0.0000473300000000 ] - [ 0.0032660000000000, -0.0022463200000000, -0.0010642000000000 ] - [ -0.0008371500000000, -0.0000616700000000, -0.0003354400000000 ] - [ 0.0023243400000000, 0.0046426700000000, -0.0018363000000000 ] - [ 0.0008657500000000, -0.0001795800000000, -0.0001673400000000 ] - [ -0.0012839600000000, 0.0843216600000000, -0.0097031800000000 ] - [ -0.0001805000000000, -0.0001110900000000, -0.0002550100000000 ] - [ 0.0000473900000000, 0.0000114300000000, 0.0001332900000000 ] - [ 0.0000164100000000, 0.0000019000000000, 0.0001385700000000 ] - [ -0.0000318300000000, -0.0000037000000000, 0.0001335600000000 ] - [ -0.0000449900000000, -0.0000023400000000, 0.0001337000000000 ] - [ -0.0000510000000000, -0.0013347400000000, -0.0002789300000000 ] - [ 0.0002681700000000, -0.0110853200000000, -0.0015919300000000 ] - [ -0.0001739000000000, 0.0000423500000000, -0.0000988400000000 ] - [ -0.0000779700000000, 0.0002640900000000, -0.0006624900000000 ] - [ -0.0005723800000000, -0.0023100500000000, 0.0001813300000000 ] - [ 0.0000615500000000, -0.0015883600000000, 0.0002899400000000 ] - [ 0.0001659300000000, -0.0000436200000000, 0.0002850400000000 ] - [ 0.0001336600000000, -0.0000049800000000, 0.0003286000000000 ] - [ 0.0005802000000000, 0.0046156600000000, -0.0004836400000000 ] - [ -0.0003317900000000, 0.0004298600000000, -0.0001988500000000 ] - [ 0.0000129900000000, -0.0003625200000000, -0.0000583700000000 ] - [ -0.0002339600000000, -0.0001032700000000, -0.0000865600000000 ] - [ -0.0001304500000000, -0.0001156500000000, 0.0002987100000000 ] - [ -0.0001214700000000, -0.0001424900000000, 0.0002213200000000 ] - [ -0.0001772000000000, 0.0016873900000000, 0.0004951200000000 ] - [ 0.0003347300000000, 0.0004933000000000, 0.0003077300000000 ] - [ 0.0001184300000000, -0.0001582300000000, -0.0000852100000000 ] - [ 0.0001313100000000, -0.0002366500000000, 0.0000241400000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002366600000000, -0.0000515400000000, 0.0002052600000000 ] - [ 0.0010656400000000, 0.0016872700000000, 0.0020219800000000 ] - [ -0.0001706400000000, 0.0000498300000000, -0.0001964600000000 ] - [ -0.0000973100000000, 0.0000741800000000, -0.0002046600000000 ] - [ -0.0002148600000000, 0.0001263300000000, 0.0013570300000000 ] - [ 0.0002272000000000, -0.0000730800000000, -0.0000540000000000 ] - [ 0.0001337600000000, 0.0000231100000000, 0.0001508700000000 ] - [ 0.0001329700000000, 0.0000171600000000, 0.0001221100000000 ] - [ 0.0002984200000000, 0.0001387900000000, 0.0004138900000000 ] - [ -0.0014601400000000, 0.0035260400000000, -0.0000726100000000 ] - [ 0.0001149800000000, -0.0000272000000000, -0.0004310100000000 ] - [ 0.0001638000000000, -0.0000445600000000, -0.0004154400000000 ] - [ -0.0039193600000000, -0.0089001600000000, 0.0077584000000000 ] - [ -0.0002224000000000, -0.0000862400000000, -0.0003289500000000 ] - [ -0.0001416500000000, -0.0000106400000000, 0.0003247700000000 ] - [ -0.0001356700000000, -0.0000139700000000, 0.0003276700000000 ] - [ -0.0006366800000000, 0.0007560700000000, -0.0001328200000000 ] - [ -0.0009971400000000, 0.0008345400000000, 0.0000326500000000 ] - [ -0.0007243500000000, -0.0001030100000000, 0.0000918200000000 ] - [ -0.0007317900000000, -0.0000869700000000, 0.0001099000000000 ] - [ 0.0005185400000000, -0.0014088000000000, 0.0002070700000000 ] - [ 0.0008140600000000, -0.0002456300000000, 0.0000649700000000 ] - [ 0.0007301200000000, -0.0000643000000000, -0.0000155600000000 ] - [ 0.0005326200000000, -0.0000260100000000, -0.0002675100000000 ] - [ -0.0004741600000000, 0.0005329800000000, -0.0005992000000000 ] - [ -0.0006271400000000, -0.0003324700000000, -0.0004455300000000 ] - [ -0.0005498500000000, 0.0003598700000000, 0.0005629200000000 ] - [ -0.0005096500000000, 0.0002591600000000, 0.0004728600000000 ] - [ 0.0004728700000000, -0.0006942400000000, 0.0006257900000000 ] - [ 0.0005653900000000, -0.0006951100000000, 0.0006806900000000 ] - [ 0.0004540500000000, 0.0009670600000000, -0.0014062100000000 ] - [ 0.0005208600000000, 0.0004272300000000, -0.0004515900000000 ] - [ 0.0014141900000000, 0.0024143700000000, 0.0021619500000000 ] - [ 0.0000292100000000, 0.0009702700000000, 0.0004392200000000 ] - [ 0.0001347200000000, -0.0008211100000000, -0.0003328800000000 ] - [ 0.0001434600000000, -0.0008651900000000, -0.0003478600000000 ] - [ -0.0002920400000000, -0.0001537800000000, 0.0000184800000000 ] - [ 0.0005421700000000, -0.0000487200000000, -0.0000350200000000 ] - [ -0.0000011600000000, -0.0005109000000000, 0.0002361400000000 ] - [ -0.0001449500000000, -0.0007999900000000, 0.0004081400000000 ] - [ -0.0015433000000000, 0.0005791500000000, -0.0022464200000000 ] - [ -0.0003607900000000, -0.0005317300000000, 0.0001220900000000 ] - [ -0.0002367300000000, 0.0007843500000000, -0.0002929000000000 ] - [ -0.0002317100000000, 0.0007850600000000, -0.0002976100000000 ] - [ 0.0003823200000000, -0.0018101100000000, -0.0010057300000000 ] - [ -0.0002733100000000, -0.0014743400000000, -0.0006075200000000 ] - [ 0.0002673700000000, 0.0007397300000000, 0.0001908600000000 ] - [ 0.0002071100000000, 0.0008173300000000, 0.0003842400000000 ] - [ 0.0001696800000000, -0.0000868300000000, -0.0001350300000000 ] - [ 0.0001595700000000, -0.0000842900000000, -0.0001305900000000 ] - [ -0.0002866600000000, -0.0005534800000000, 0.0001209800000000 ] - [ 0.0010595700000000, -0.0062798900000000, 0.0000124400000000 ] - [ -0.0001431800000000, -0.0000559200000000, 0.0002401100000000 ] - [ -0.0001557100000000, -0.0000647300000000, 0.0002387300000000 ] - [ -0.0058361600000000, 0.0011142700000000, -0.0384217600000000 ] - [ -0.0002204700000000, 0.0002223100000000, -0.0001575700000000 ] - [ 0.0070030100000000, -0.0039722800000000, 0.0410917200000000 ] - [ 0.0001644200000000, 0.0000274900000000, -0.0003191200000000 ] - [ 0.0001188100000000, 0.0001183300000000, 0.0002198300000000 ] - [ 0.0001156600000000, 0.0001238400000000, 0.0002190200000000 ] - [ 0.0003176900000000, -0.0008063700000000, 0.0000118100000000 ] - [ -0.0016744800000000, -0.0081135800000000, 0.0002818000000000 ] - [ -0.0000918600000000, 0.0001588400000000, -0.0001094000000000 ] - [ -0.0001053000000000, 0.0001480600000000, -0.0001152800000000 ] - [ 0.0004739800000000, 0.0008033400000000, -0.0003375000000000 ] - [ 0.0011755700000000, 0.0158465400000000, -0.0002649000000000 ] - [ 0.0005971300000000, 0.0001231400000000, 0.0002889700000000 ] - [ 0.0005869500000000, 0.0001261400000000, 0.0002863000000000 ] - [ -0.0004307500000000, -0.0033855100000000, -0.0000352500000000 ] - [ -0.0006610500000000, -0.0004221700000000, 0.0001627500000000 ] - [ -0.0005879900000000, 0.0001259800000000, -0.0002116500000000 ] - [ -0.0006052900000000, 0.0001260400000000, -0.0002089800000000 ] - [ 0.0093703300000000, 0.0870390100000000, -0.0227979800000000 ] - [ 0.0001478600000000, -0.0002248800000000, -0.0000054300000000 ] - [ 0.0001936600000000, 0.0002834200000000, -0.0001319600000000 ] - [ 0.0001901600000000, 0.0002840200000000, -0.0001297200000000 ] - [ -0.0002571500000000, -0.0007701700000000, -0.0004028200000000 ] - [ -0.0002031200000000, -0.0026282500000000, -0.0011447900000000 ] - [ -0.0002122400000000, 0.0002966800000000, 0.0002710900000000 ] - [ -0.0002318400000000, 0.0002932600000000, 0.0002794000000000 ] - [ -0.0000149300000000, 0.0000649500000000, 0.0000542000000000 ] - [ -0.0000168500000000, 0.0000617400000000, 0.0000575500000000 ] - [ 0.0000190400000000, 0.0000875900000000, -0.0001208200000000 ] - [ 0.0000201900000000, 0.0000798800000000, -0.0001403900000000 ] - [ -0.0032272500000000, 0.0021093900000000, 0.0012314600000000 ] - [ 0.0008743500000000, -0.0000617800000000, 0.0005100700000000 ] - [ -0.0026265100000000, -0.0050098900000000, 0.0016435300000000 ] - [ -0.0008992000000000, 0.0000174800000000, -0.0000475600000000 ] - [ 0.0004468100000000, -0.0842152600000000, 0.0079490700000000 ] - [ 0.0001322800000000, 0.0001005200000000, 0.0002499000000000 ] - [ 0.0000222600000000, -0.0000015800000000, -0.0001020000000000 ] - [ 0.0000530500000000, 0.0000083700000000, -0.0001079200000000 ] - [ -0.0000393300000000, 0.0000150300000000, -0.0001389200000000 ] - [ -0.0000255600000000, 0.0000139100000000, -0.0001384000000000 ] - [ 0.0001293000000000, 0.0013225500000000, 0.0002386900000000 ] - [ -0.0002104500000000, 0.0110541000000000, 0.0014943200000000 ] - [ -0.0001170000000000, -0.0000004000000000, -0.0004519200000000 ] - [ -0.0002164800000000, -0.0002234200000000, 0.0001223300000000 ] - [ 0.0002700000000000, 0.0022699200000000, 0.0003886300000000 ] - [ -0.0003425300000000, 0.0015493800000000, 0.0002828500000000 ] - [ 0.0001261100000000, 0.0000866400000000, 0.0002928600000000 ] - [ 0.0001591800000000, 0.0000476900000000, 0.0002426900000000 ] - [ -0.0002579300000000, -0.0046434600000000, -0.0000495100000000 ] - [ 0.0006012000000000, -0.0004681600000000, -0.0003613400000000 ] - [ -0.0002512600000000, 0.0006542600000000, -0.0002683200000000 ] - [ -0.0000132000000000, 0.0003966600000000, -0.0002416600000000 ] - [ -0.0001133500000000, -0.0001790600000000, 0.0000378800000000 ] - [ -0.0001202400000000, -0.0001520500000000, 0.0001135100000000 ] - [ 0.0004118700000000, -0.0013949400000000, -0.0001572900000000 ] - [ -0.0000831800000000, -0.0002001700000000, 0.0000387300000000 ] - [ 0.0001252800000000, -0.0001353900000000, -0.0002415000000000 ] - [ 0.0001111100000000, -0.0000569400000000, -0.0003502400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002045400000000, 0.0001605200000000, 0.0007278100000000 ] - [ -0.0021134400000000, -0.0030949400000000, -0.0032766900000000 ] - [ 0.0001753500000000, 0.0000131400000000, -0.0013257300000000 ] - [ -0.0002818900000000, -0.0001042000000000, -0.0012010500000000 ] - [ 0.0016101200000000, -0.0038519500000000, -0.0035658200000000 ] - [ -0.0003121400000000, -0.0008291400000000, 0.0005165100000000 ] - [ 0.0000669300000000, -0.0003650700000000, -0.0013235400000000 ] - [ 0.0002603700000000, -0.0001701300000000, -0.0009532500000000 ] - [ 0.0003775800000000, 0.0001836300000000, 0.0019345100000000 ] - [ -0.0023215800000000, 0.0050898200000000, 0.0011990800000000 ] - [ 0.0003603700000000, 0.0000265900000000, -0.0016827700000000 ] - [ -0.0000345600000000, 0.0001112700000000, -0.0016102500000000 ] - [ -0.0049556000000000, -0.0081865900000000, 0.0131329000000000 ] - [ -0.0008668400000000, 0.0002720700000000, 0.0015191100000000 ] - [ -0.0002189500000000, -0.0000248100000000, -0.0008197700000000 ] - [ -0.0000457800000000, -0.0000335400000000, -0.0007559000000000 ] - [ 0.0026529900000000, 0.0000742200000000, -0.0000317300000000 ] - [ -0.0076229600000000, 0.0005403200000000, 0.0045314000000000 ] - [ -0.0005039800000000, 0.0000639800000000, 0.0011078000000000 ] - [ -0.0004308000000000, 0.0000251700000000, 0.0008281500000000 ] - [ -0.0011464200000000, -0.0000721200000000, 0.0014096800000000 ] - [ 0.0020354500000000, 0.0001052400000000, -0.0000764400000000 ] - [ 0.0005500200000000, -0.0000858600000000, 0.0008354900000000 ] - [ 0.0018546600000000, -0.0001855700000000, 0.0016168900000000 ] - [ 0.0002434600000000, 0.0001477600000000, 0.0036101100000000 ] - [ -0.0023961300000000, 0.0001287000000000, 0.0016973600000000 ] - [ -0.0002755500000000, 0.0007194800000000, 0.0016462500000000 ] - [ -0.0007083700000000, 0.0009486800000000, 0.0024482400000000 ] - [ -0.0000297700000000, -0.0005660900000000, 0.0022563200000000 ] - [ 0.0009587400000000, -0.0005199300000000, 0.0019482800000000 ] - [ 0.0010277000000000, 0.0000902400000000, 0.0040014700000000 ] - [ 0.0004355200000000, 0.0003600400000000, 0.0007400000000000 ] - [ 0.0040062400000000, 0.0010405400000000, 0.0061159000000000 ] - [ -0.0016767500000000, -0.0000231900000000, -0.0000969000000000 ] - [ 0.0000585000000000, -0.0006861900000000, 0.0003945800000000 ] - [ -0.0002406500000000, -0.0005129600000000, 0.0006827600000000 ] - [ -0.0013516300000000, 0.0005878200000000, -0.0002373700000000 ] - [ 0.0011762600000000, -0.0001938500000000, 0.0002270200000000 ] - [ -0.0005210700000000, -0.0013982000000000, 0.0020841000000000 ] - [ -0.0003074600000000, -0.0010239300000000, 0.0011449300000000 ] - [ 0.0044957400000000, 0.0004829500000000, 0.0066957500000000 ] - [ -0.0021055300000000, 0.0003840900000000, -0.0004425100000000 ] - [ -0.0001681700000000, 0.0007872700000000, 0.0005782800000000 ] - [ -0.0004874900000000, 0.0005576900000000, 0.0008554500000000 ] - [ -0.0012738500000000, -0.0003767500000000, -0.0001647400000000 ] - [ 0.0016585400000000, 0.0001577800000000, 0.0001391300000000 ] - [ -0.0001803200000000, 0.0015871200000000, 0.0023228700000000 ] - [ 0.0000063500000000, 0.0011454700000000, 0.0012718500000000 ] - [ 0.0003605100000000, -0.0006735100000000, 0.0015075600000000 ] - [ 0.0003225800000000, -0.0006042400000000, 0.0012687500000000 ] - [ 0.0010482700000000, 0.0012222400000000, -0.0019319900000000 ] - [ -0.0007824900000000, 0.0036578900000000, -0.0037181700000000 ] - [ -0.0000620100000000, 0.0004389900000000, 0.0015687300000000 ] - [ 0.0000854800000000, 0.0004712100000000, 0.0015883400000000 ] - [ 0.0105480700000000, 0.0185616000000000, 0.0347820600000000 ] - [ 0.0009885200000000, -0.0006974200000000, -0.0020093000000000 ] - [ 0.0105486500000000, -0.0209052800000000, 0.0313302700000000 ] - [ 0.0012271400000000, 0.0005414200000000, -0.0019210400000000 ] - [ 0.0001956900000000, -0.0002351400000000, 0.0013699700000000 ] - [ 0.0003302200000000, -0.0002694000000000, 0.0014061500000000 ] - [ 0.0007542100000000, -0.0012461500000000, -0.0018571100000000 ] - [ -0.0014605800000000, -0.0053580300000000, -0.0037966200000000 ] - [ 0.0000829900000000, 0.0005018100000000, 0.0012232400000000 ] - [ 0.0000344100000000, 0.0004765500000000, 0.0010538600000000 ] - [ 0.0008871700000000, -0.0001261900000000, -0.0031827000000000 ] - [ 0.0133204400000000, 0.0000262900000000, -0.0008239600000000 ] - [ 0.0005060400000000, 0.0001786800000000, 0.0012519100000000 ] - [ 0.0006612200000000, 0.0001694900000000, 0.0011886700000000 ] - [ -0.0004523200000000, -0.0005409600000000, -0.0033018900000000 ] - [ -0.0001248800000000, -0.0001242300000000, -0.0015145400000000 ] - [ -0.0005651200000000, 0.0000712800000000, 0.0007944100000000 ] - [ -0.0006445100000000, 0.0000771600000000, 0.0007912300000000 ] - [ -0.1307644100000000, 0.0233764200000000, -0.4377552000000000 ] - [ 0.0002325400000000, -0.0000716600000000, -0.0034385800000000 ] - [ -0.0001860500000000, 0.0002089700000000, 0.0018195700000000 ] - [ -0.0001854800000000, 0.0002090300000000, 0.0018212100000000 ] - [ -0.0008248900000000, -0.0004950800000000, -0.0037499400000000 ] - [ -0.0010499300000000, -0.0012530600000000, -0.0084378100000000 ] - [ -0.0006773300000000, 0.0003626400000000, 0.0024409600000000 ] - [ -0.0005776500000000, 0.0003678500000000, 0.0022341100000000 ] - [ -0.0000096300000000, -0.0000800900000000, -0.0009343900000000 ] - [ 0.0000235200000000, -0.0000601800000000, -0.0010414400000000 ] - [ 0.0000426700000000, 0.0001742500000000, -0.0012976600000000 ] - [ 0.0000319400000000, 0.0002126700000000, -0.0011157600000000 ] - [ 0.0008390200000000, 0.0000840600000000, 0.0056882300000000 ] - [ -0.0008179500000000, -0.0018992700000000, 0.0030663600000000 ] - [ -0.0013357000000000, -0.0023830500000000, 0.0055685500000000 ] - [ 0.0002610600000000, 0.0008486800000000, 0.0034742000000000 ] - [ 0.1052675300000000, -0.0098696600000000, 0.3439108300000000 ] - [ -0.0016954700000000, -0.0000311900000000, 0.0052158300000000 ] - [ 0.0000502600000000, 0.0002151300000000, -0.0036542300000000 ] - [ 0.0001668500000000, 0.0001588900000000, -0.0032611100000000 ] - [ 0.0001549800000000, -0.0001026000000000, -0.0032382200000000 ] - [ -0.0000816800000000, -0.0000891900000000, -0.0032645400000000 ] - [ -0.0006286100000000, 0.0000829500000000, 0.0058573600000000 ] - [ -0.0003468600000000, 0.0017753000000000, 0.0151332600000000 ] - [ 0.0003481400000000, -0.0000409100000000, -0.0025897500000000 ] - [ -0.0006255500000000, 0.0001756800000000, -0.0062549600000000 ] - [ 0.0030249200000000, 0.0001196400000000, -0.0022107300000000 ] - [ -0.0024975100000000, 0.0001463800000000, -0.0014173700000000 ] - [ 0.0003476200000000, -0.0001930000000000, -0.0028018200000000 ] - [ -0.0000998800000000, -0.0001949900000000, -0.0016828500000000 ] - [ -0.0073560100000000, -0.0005817700000000, -0.0076427500000000 ] - [ 0.0088769600000000, -0.0010277000000000, -0.0017470400000000 ] - [ -0.0008394100000000, 0.0004752200000000, -0.0002068900000000 ] - [ 0.0003886700000000, 0.0003010600000000, -0.0000753800000000 ] - [ 0.0000703100000000, 0.0000394200000000, -0.0015528600000000 ] - [ -0.0004052000000000, 0.0000501100000000, -0.0011020200000000 ] - [ 0.0032334000000000, 0.0001029500000000, -0.0017050500000000 ] - [ -0.0019085500000000, 0.0001140300000000, -0.0010974000000000 ] - [ 0.0001604700000000, -0.0002078900000000, -0.0011597800000000 ] - [ -0.0000545600000000, -0.0001206900000000, -0.0015182800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004624700000000, -0.0002204400000000, -0.0003831500000000 ] - [ 0.0018356200000000, 0.0030269800000000, 0.0036006800000000 ] - [ -0.0004339400000000, 0.0000516100000000, 0.0009850700000000 ] - [ 0.0000203900000000, 0.0001677700000000, 0.0008616300000000 ] - [ -0.0013495500000000, 0.0038023600000000, 0.0032281800000000 ] - [ 0.0005718200000000, 0.0007648900000000, -0.0008577300000000 ] - [ 0.0001932300000000, 0.0004302500000000, 0.0016577600000000 ] - [ -0.0000000300000000, 0.0002359800000000, 0.0012881500000000 ] - [ -0.0000989000000000, -0.0001431900000000, -0.0011797100000000 ] - [ 0.0025776900000000, -0.0050256300000000, -0.0004432200000000 ] - [ -0.0000789000000000, -0.0000713600000000, 0.0009346000000000 ] - [ 0.0003133400000000, -0.0001562200000000, 0.0008634200000000 ] - [ 0.0050931200000000, 0.0089974100000000, -0.0148096500000000 ] - [ 0.0005901800000000, -0.0002288300000000, -0.0022686800000000 ] - [ -0.0000613400000000, -0.0000177600000000, 0.0015611100000000 ] - [ -0.0002337000000000, -0.0000094200000000, 0.0014978200000000 ] - [ -0.0041107800000000, 0.0000975600000000, -0.0001358200000000 ] - [ 0.0061911600000000, -0.0003639100000000, -0.0047303300000000 ] - [ -0.0009498000000000, -0.0002344700000000, -0.0009315900000000 ] - [ -0.0010250700000000, -0.0001966700000000, -0.0006526700000000 ] - [ 0.0025870100000000, 0.0002435000000000, -0.0012276800000000 ] - [ -0.0005716500000000, 0.0000665300000000, 0.0002444500000000 ] - [ 0.0008983100000000, -0.0000853800000000, -0.0010087000000000 ] - [ -0.0003891500000000, 0.0000136600000000, -0.0017831600000000 ] - [ -0.0013149400000000, -0.0009229500000000, -0.0047062000000000 ] - [ 0.0013316600000000, -0.0009046400000000, -0.0027951800000000 ] - [ -0.0007962800000000, 0.0000553900000000, -0.0005423200000000 ] - [ -0.0003639900000000, -0.0001741600000000, -0.0013483200000000 ] - [ 0.0010971600000000, -0.0002087900000000, -0.0011528600000000 ] - [ 0.0001158500000000, -0.0002547400000000, -0.0008478000000000 ] - [ 0.0000473600000000, 0.0006822700000000, -0.0050916500000000 ] - [ 0.0006343400000000, 0.0004141900000000, -0.0018404500000000 ] - [ -0.0037622600000000, 0.0005597200000000, -0.0054486100000000 ] - [ 0.0019343200000000, 0.0016137600000000, 0.0008032600000000 ] - [ 0.0001930500000000, -0.0009010500000000, -0.0010939300000000 ] - [ 0.0004914100000000, -0.0010723200000000, -0.0013817300000000 ] - [ 0.0010880200000000, 0.0010034400000000, -0.0004677700000000 ] - [ -0.0014195300000000, 0.0017787300000000, -0.0009296200000000 ] - [ 0.0002683000000000, -0.0001898400000000, -0.0013757700000000 ] - [ 0.0000569800000000, -0.0005615200000000, -0.0004441300000000 ] - [ -0.0049816700000000, -0.0020981300000000, -0.0061036100000000 ] - [ 0.0016559100000000, -0.0019690200000000, 0.0010840300000000 ] - [ -0.0002863900000000, 0.0007922800000000, -0.0012114500000000 ] - [ 0.0000298400000000, 0.0010164900000000, -0.0014851100000000 ] - [ 0.0017128600000000, -0.0012090100000000, -0.0004777600000000 ] - [ -0.0011945500000000, -0.0017380100000000, -0.0007782000000000 ] - [ 0.0006343600000000, -0.0000063500000000, -0.0016808000000000 ] - [ 0.0004477600000000, 0.0004352500000000, -0.0006348400000000 ] - [ -0.0000372300000000, 0.0004995100000000, -0.0018454900000000 ] - [ -0.0000005500000000, 0.0004355600000000, -0.0016101700000000 ] - [ -0.0007181600000000, -0.0010422100000000, 0.0022722300000000 ] - [ 0.0011011600000000, -0.0034791400000000, 0.0040615700000000 ] - [ -0.0002596500000000, -0.0006038200000000, -0.0012200800000000 ] - [ -0.0004073200000000, -0.0006396000000000, -0.0012433600000000 ] - [ -0.0106707000000000, -0.0178008300000000, -0.0342217700000000 ] - [ -0.0012946600000000, 0.0008523800000000, 0.0016529500000000 ] - [ -0.0101333300000000, 0.0199860700000000, -0.0308765500000000 ] - [ -0.0009929400000000, -0.0008128400000000, 0.0015925500000000 ] - [ 0.0000238700000000, 0.0005155000000000, -0.0010475900000000 ] - [ -0.0001082500000000, 0.0005485100000000, -0.0010835100000000 ] - [ -0.0009708000000000, 0.0009583100000000, 0.0021755700000000 ] - [ 0.0012305400000000, 0.0050293000000000, 0.0041164200000000 ] - [ -0.0003005300000000, -0.0002124700000000, -0.0015362700000000 ] - [ -0.0002537700000000, -0.0001933700000000, -0.0013703400000000 ] - [ 0.0003517900000000, -0.0001313500000000, 0.0026719600000000 ] - [ -0.0120439500000000, -0.0003000200000000, 0.0001723700000000 ] - [ 0.0006754700000000, 0.0000786300000000, -0.0007594900000000 ] - [ 0.0005220900000000, 0.0000887700000000, -0.0006972700000000 ] - [ -0.0007367800000000, 0.0002843700000000, 0.0037819900000000 ] - [ -0.0010611700000000, -0.0001333400000000, 0.0020020700000000 ] - [ -0.0006195000000000, 0.0001854500000000, -0.0012825300000000 ] - [ -0.0005371200000000, 0.0001798300000000, -0.0012788900000000 ] - [ 0.1205279600000000, -0.0240815700000000, 0.4173933200000000 ] - [ 0.0001871800000000, -0.0005119700000000, 0.0038285400000000 ] - [ 0.0005966000000000, 0.0003745300000000, -0.0022094300000000 ] - [ 0.0005947800000000, 0.0003755000000000, -0.0022071200000000 ] - [ 0.0004149200000000, -0.0000889300000000, 0.0033548000000000 ] - [ 0.0006380200000000, 0.0006654900000000, 0.0080165500000000 ] - [ 0.0002667400000000, 0.0002208300000000, -0.0020507400000000 ] - [ 0.0001668400000000, 0.0002161900000000, -0.0018403300000000 ] - [ -0.0000235900000000, 0.0002253800000000, 0.0011238100000000 ] - [ -0.0000568600000000, 0.0002052000000000, 0.0012315100000000 ] - [ -0.0000095100000000, -0.0000289900000000, 0.0011018600000000 ] - [ 0.0000019700000000, -0.0000668800000000, 0.0009225900000000 ] - [ -0.0008314900000000, -0.0001799700000000, -0.0054591500000000 ] - [ 0.0008524300000000, 0.0017597300000000, -0.0028637600000000 ] - [ 0.0012959000000000, 0.0022247800000000, -0.0057783200000000 ] - [ -0.0002837400000000, -0.0009984200000000, -0.0036674600000000 ] - [ -0.0955608400000000, 0.0092505500000000, -0.3236098200000000 ] - [ 0.0015708900000000, 0.0000212300000000, -0.0051904800000000 ] - [ 0.0000190900000000, -0.0002045500000000, 0.0036641700000000 ] - [ -0.0000976200000000, -0.0001483000000000, 0.0032726600000000 ] - [ -0.0002237100000000, 0.0001130100000000, 0.0032129300000000 ] - [ 0.0000113200000000, 0.0001004300000000, 0.0032394100000000 ] - [ 0.0006944200000000, -0.0000967700000000, -0.0058665800000000 ] - [ 0.0004227500000000, -0.0017754500000000, -0.0150828600000000 ] - [ -0.0006356600000000, 0.0000819800000000, 0.0020327400000000 ] - [ 0.0003275200000000, -0.0001346300000000, 0.0056773600000000 ] - [ -0.0032849900000000, -0.0001601800000000, 0.0027630200000000 ] - [ 0.0021933600000000, -0.0001873000000000, 0.0019779200000000 ] - [ -0.0000544500000000, 0.0002351100000000, 0.0033513000000000 ] - [ 0.0003921100000000, 0.0002369900000000, 0.0022330100000000 ] - [ 0.0076397000000000, 0.0005438200000000, 0.0070652600000000 ] - [ -0.0086041600000000, 0.0009892500000000, 0.0011747200000000 ] - [ 0.0005964900000000, -0.0001827200000000, -0.0001263900000000 ] - [ -0.0006283800000000, -0.0000076800000000, -0.0002582500000000 ] - [ -0.0003122700000000, -0.0003332100000000, 0.0018786000000000 ] - [ 0.0001624600000000, -0.0003436400000000, 0.0014265400000000 ] - [ -0.0029712100000000, 0.0001909300000000, 0.0020331800000000 ] - [ 0.0021424200000000, 0.0001792300000000, 0.0014322300000000 ] - [ 0.0000829000000000, -0.0000859500000000, 0.0008304400000000 ] - [ 0.0002950800000000, -0.0001724100000000, 0.0011858900000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002278300000000, -0.0000414500000000, 0.0001761100000000 ] - [ -0.0000383900000000, -0.0000484100000000, 0.0001548400000000 ] - [ 0.0000935300000000, -0.0003090400000000, -0.0010284300000000 ] - [ -0.0001880600000000, 0.0002288800000000, 0.0007272500000000 ] - [ 0.0002669800000000, -0.0000003800000000, -0.0001743200000000 ] - [ -0.0000136900000000, -0.0000159800000000, -0.0001450800000000 ] - [ 0.0009906600000000, -0.0002080000000000, 0.0029164700000000 ] - [ 0.0013312700000000, 0.0004918000000000, -0.0022299100000000 ] - [ 0.0000502400000000, 0.0000148200000000, 0.0003576400000000 ] - [ 0.0002213200000000, 0.0000355900000000, 0.0003589400000000 ] - [ 0.0011256100000000, 0.0010213900000000, -0.0021669200000000 ] - [ 0.0008511500000000, -0.0007376400000000, 0.0019274500000000 ] - [ -0.0000182400000000, -0.0000037300000000, -0.0003868900000000 ] - [ -0.0002598100000000, 0.0000319400000000, -0.0003926800000000 ] - [ 0.0001284100000000, -0.0005972000000000, 0.0020668800000000 ] - [ 0.0005509100000000, 0.0001780200000000, -0.0009013100000000 ] - [ -0.0004490200000000, 0.0000481900000000, -0.0002810000000000 ] - [ -0.0010737300000000, 0.0001147000000000, 0.0001861100000000 ] - [ -0.0023873900000000, -0.0000559600000000, -0.0006921400000000 ] - [ 0.0017446900000000, -0.0002295800000000, 0.0017437200000000 ] - [ 0.0005098900000000, 0.0000692800000000, 0.0002587100000000 ] - [ 0.0009142400000000, 0.0001032900000000, -0.0000380700000000 ] - [ 0.0020807500000000, -0.0002740500000000, 0.0006197600000000 ] - [ -0.0004702000000000, -0.0000083900000000, -0.0006678900000000 ] - [ -0.0005009200000000, -0.0005465800000000, -0.0013612800000000 ] - [ -0.0006436400000000, -0.0002219300000000, 0.0004981000000000 ] - [ 0.0002203300000000, 0.0008193300000000, 0.0001069700000000 ] - [ -0.0010178500000000, 0.0003186200000000, 0.0005521500000000 ] - [ 0.0004850700000000, -0.0003939200000000, 0.0012101300000000 ] - [ 0.0005701800000000, -0.0003466600000000, 0.0000436900000000 ] - [ 0.0001827400000000, 0.0003688000000000, -0.0005076700000000 ] - [ 0.0009700400000000, 0.0004768400000000, -0.0007201400000000 ] - [ 0.0000432100000000, 0.0006757200000000, 0.0001230800000000 ] - [ 0.0002320900000000, 0.0009530300000000, 0.0006508700000000 ] - [ 0.0013967200000000, -0.0007642700000000, -0.0009762000000000 ] - [ -0.0008029200000000, -0.0005479000000000, 0.0000281300000000 ] - [ -0.0000647100000000, 0.0007240500000000, -0.0001579500000000 ] - [ -0.0001822600000000, 0.0008613700000000, -0.0005010500000000 ] - [ -0.0009873800000000, -0.0011434700000000, 0.0007278900000000 ] - [ 0.0009843200000000, -0.0003324200000000, -0.0003084800000000 ] - [ -0.0002915700000000, -0.0006902000000000, 0.0000686900000000 ] - [ -0.0001338400000000, -0.0009472500000000, 0.0006557100000000 ] - [ 0.0029819700000000, 0.0016381000000000, -0.0005710000000000 ] - [ -0.0015098300000000, 0.0004163400000000, 0.0001091600000000 ] - [ 0.0002953600000000, -0.0006806500000000, -0.0000908400000000 ] - [ 0.0001819200000000, -0.0008639800000000, -0.0004889700000000 ] - [ -0.0005792200000000, 0.0009408300000000, 0.0006042400000000 ] - [ 0.0011890700000000, 0.0006583400000000, -0.0001145900000000 ] - [ -0.0023782000000000, -0.0021629200000000, -0.0007663900000000 ] - [ 0.0043814100000000, 0.0000828000000000, -0.0031603200000000 ] - [ 0.0002092600000000, 0.0000919100000000, 0.0001551200000000 ] - [ 0.0001065000000000, 0.0000623400000000, 0.0002063500000000 ] - [ 0.0002146100000000, 0.0027593800000000, 0.0027008400000000 ] - [ -0.0019475700000000, -0.0015874700000000, -0.0012808100000000 ] - [ -0.0002000100000000, 0.0000964800000000, -0.0001512800000000 ] - [ -0.0001228900000000, 0.0000788000000000, -0.0001775900000000 ] - [ 0.0000681800000000, -0.0001567100000000, -0.0001355000000000 ] - [ 0.0001456200000000, -0.0001437800000000, -0.0001583300000000 ] - [ -0.0009879400000000, 0.0020722200000000, 0.0027047400000000 ] - [ -0.0018661100000000, -0.0000832400000000, -0.0010864200000000 ] - [ -0.0000609100000000, -0.0001425900000000, 0.0001501800000000 ] - [ -0.0001595000000000, -0.0001250100000000, 0.0001912500000000 ] - [ -0.0014643700000000, -0.0013668400000000, -0.0010197300000000 ] - [ 0.0001451600000000, 0.0033274900000000, 0.0008376300000000 ] - [ 0.0006628500000000, -0.0001270700000000, -0.0002310900000000 ] - [ 0.0005175000000000, -0.0001273300000000, -0.0002389100000000 ] - [ -0.0032727700000000, 0.0009849400000000, 0.0008999700000000 ] - [ 0.0017396900000000, 0.0007266200000000, 0.0004345600000000 ] - [ -0.0006706500000000, -0.0001261800000000, 0.0002473500000000 ] - [ -0.0005086600000000, -0.0001286100000000, 0.0002631300000000 ] - [ 0.0011267000000000, 0.0007865200000000, -0.0002497600000000 ] - [ -0.0046141700000000, 0.0013410400000000, -0.0005699900000000 ] - [ 0.0001679800000000, -0.0002929100000000, 0.0002064900000000 ] - [ 0.0002548000000000, -0.0002915000000000, 0.0002386100000000 ] - [ 0.0038850900000000, -0.0022993200000000, 0.0010995800000000 ] - [ -0.0019303700000000, -0.0005829300000000, -0.0004619800000000 ] - [ -0.0001642400000000, -0.0002896600000000, -0.0001717700000000 ] - [ -0.0002386900000000, -0.0002883300000000, -0.0001823300000000 ] - [ -0.0017216900000000, -0.0005716100000000, 0.0010313100000000 ] - [ -0.0016384700000000, 0.0035298800000000, -0.0006343500000000 ] - [ -0.0280703600000000, 0.0046961100000000, 0.0021929700000000 ] - [ 0.0027871800000000, 0.0001434900000000, 0.0000827900000000 ] - [ 0.0019980200000000, -0.0000525600000000, -0.0000450900000000 ] - [ -0.0027479700000000, 0.0000877200000000, -0.0001716500000000 ] - [ 0.0000173700000000, -0.0000778400000000, 0.0000686500000000 ] - [ 0.0000170600000000, -0.0000707700000000, 0.0001004800000000 ] - [ -0.0000160900000000, -0.0000780500000000, -0.0000757200000000 ] - [ -0.0000158500000000, -0.0000620500000000, -0.0001449300000000 ] - [ 0.0000728700000000, -0.0000039700000000, -0.0000309700000000 ] - [ -0.0001463100000000, -0.0000005900000000, -0.0000203700000000 ] - [ 0.0060029300000000, 0.0069484300000000, -0.0001206500000000 ] - [ 0.0082309300000000, -0.0108524500000000, 0.0001199300000000 ] - [ 0.0093592300000000, -0.0097393700000000, -0.0074650000000000 ] - [ 0.0078528900000000, 0.0041288600000000, 0.0037868200000000 ] - [ -0.0000944000000000, -0.0000137500000000, -0.0000101100000000 ] - [ 0.0001565900000000, -0.0000067600000000, -0.0000626600000000 ] - [ -0.0027678700000000, -0.0002260000000000, -0.0001194400000000 ] - [ 0.0018662100000000, 0.0001426100000000, -0.0003881300000000 ] - [ -0.0000101900000000, 0.0000143400000000, -0.0005135800000000 ] - [ -0.0002707200000000, -0.0000683200000000, 0.0008833600000000 ] - [ 0.0028394600000000, 0.0002659700000000, 0.0001359700000000 ] - [ -0.0049891400000000, -0.0012361600000000, 0.0001088200000000 ] - [ -0.0000381000000000, 0.0000728000000000, 0.0006474300000000 ] - [ 0.0003395900000000, -0.0001103100000000, -0.0014491800000000 ] - [ -0.0001182200000000, 0.0001458400000000, -0.0000493400000000 ] - [ -0.0000981700000000, 0.0001417100000000, -0.0003125700000000 ] - [ 0.0010195200000000, -0.0001172100000000, 0.0002272000000000 ] - [ -0.0017690700000000, -0.0002618400000000, -0.0000229700000000 ] - [ 0.0001244900000000, 0.0001735300000000, 0.0000545900000000 ] - [ 0.0001281000000000, 0.0001356000000000, 0.0002560100000000 ] - [ -0.0012317500000000, -0.0001822600000000, -0.0001662200000000 ] - [ 0.0011414800000000, -0.0001633700000000, -0.0001569400000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000342600000000, -0.0000217900000000, 0.0001597000000000 ] - [ -0.0002232200000000, -0.0000144900000000, 0.0001797200000000 ] - [ -0.0003552900000000, 0.0003728700000000, 0.0006915000000000 ] - [ -0.0000710400000000, -0.0001648700000000, -0.0010646000000000 ] - [ -0.0000054100000000, -0.0000632400000000, -0.0001608700000000 ] - [ 0.0002752300000000, -0.0000492100000000, -0.0001932800000000 ] - [ -0.0007329900000000, 0.0002707000000000, -0.0025582900000000 ] - [ -0.0010715900000000, -0.0004244300000000, 0.0025792100000000 ] - [ 0.0002245500000000, 0.0000267400000000, 0.0003907700000000 ] - [ 0.0000537100000000, 0.0000062300000000, 0.0003896900000000 ] - [ -0.0008468700000000, -0.0010604600000000, 0.0014094100000000 ] - [ -0.0005699200000000, 0.0007004300000000, -0.0026871400000000 ] - [ -0.0002564500000000, 0.0000440300000000, -0.0003618800000000 ] - [ -0.0000144800000000, 0.0000089500000000, -0.0003564600000000 ] - [ -0.0004129300000000, 0.0005547700000000, -0.0013176800000000 ] - [ -0.0008269600000000, -0.0002220600000000, 0.0016560000000000 ] - [ -0.0010034100000000, 0.0001205000000000, 0.0001083700000000 ] - [ -0.0003854400000000, 0.0000542300000000, -0.0003582600000000 ] - [ 0.0009358300000000, -0.0001094500000000, 0.0008617200000000 ] - [ -0.0032189900000000, 0.0000604500000000, -0.0015770000000000 ] - [ 0.0009476000000000, 0.0000999000000000, -0.0000860400000000 ] - [ 0.0005399700000000, 0.0000652200000000, 0.0002097700000000 ] - [ -0.0006277500000000, 0.0001057600000000, -0.0007926900000000 ] - [ 0.0019291700000000, -0.0001613000000000, 0.0004993200000000 ] - [ -0.0005701400000000, -0.0002302400000000, 0.0002571200000000 ] - [ -0.0004313900000000, -0.0005548500000000, -0.0016013100000000 ] - [ -0.0012998600000000, -0.0000478000000000, 0.0010106300000000 ] - [ -0.0000558700000000, 0.0004588900000000, 0.0005429400000000 ] - [ 0.0005897500000000, -0.0003824800000000, -0.0001043200000000 ] - [ 0.0005024000000000, -0.0004305000000000, 0.0010667100000000 ] - [ 0.0008898600000000, 0.0004080600000000, -0.0005986200000000 ] - [ 0.0001049000000000, 0.0003007900000000, -0.0003865400000000 ] - [ 0.0002130800000000, 0.0009203800000000, 0.0005836700000000 ] - [ 0.0000234200000000, 0.0006424400000000, 0.0000557500000000 ] - [ -0.0011404000000000, -0.0008436400000000, 0.0002713300000000 ] - [ 0.0010584400000000, -0.0010468700000000, -0.0007372100000000 ] - [ -0.0001919400000000, 0.0008752300000000, -0.0005495300000000 ] - [ -0.0000736500000000, 0.0007358500000000, -0.0002066800000000 ] - [ 0.0007312900000000, -0.0004538000000000, -0.0000183700000000 ] - [ -0.0012392700000000, -0.0012590100000000, 0.0010113400000000 ] - [ -0.0001642900000000, -0.0008926000000000, 0.0005692000000000 ] - [ -0.0003232500000000, -0.0006345500000000, -0.0000177600000000 ] - [ -0.0034419100000000, -0.0000665700000000, -0.0000582400000000 ] - [ 0.0010520800000000, 0.0011638100000000, -0.0007483600000000 ] - [ 0.0001595700000000, -0.0009071300000000, -0.0005503600000000 ] - [ 0.0002751200000000, -0.0007185700000000, -0.0001497300000000 ] - [ 0.0010359400000000, 0.0006397000000000, 0.0000349700000000 ] - [ -0.0007330100000000, 0.0009263500000000, 0.0007543500000000 ] - [ 0.0026918800000000, 0.0019530900000000, 0.0004174800000000 ] - [ -0.0043863300000000, -0.0000274800000000, 0.0029928400000000 ] - [ 0.0001145700000000, 0.0000782700000000, 0.0001918300000000 ] - [ 0.0002138200000000, 0.0001028800000000, 0.0001427200000000 ] - [ -0.0005319600000000, -0.0029124700000000, -0.0023481900000000 ] - [ 0.0016078700000000, 0.0014244600000000, 0.0016321500000000 ] - [ -0.0001183100000000, 0.0000658000000000, -0.0002000900000000 ] - [ -0.0001964400000000, 0.0000836400000000, -0.0001728700000000 ] - [ 0.0001480400000000, -0.0001302600000000, -0.0001815800000000 ] - [ 0.0000710600000000, -0.0001413700000000, -0.0001599100000000 ] - [ 0.0012613600000000, -0.0018057300000000, -0.0024101800000000 ] - [ 0.0020828200000000, 0.0003821700000000, 0.0014160400000000 ] - [ -0.0001553600000000, -0.0001442100000000, 0.0001698200000000 ] - [ -0.0000569500000000, -0.0001609200000000, 0.0001275100000000 ] - [ 0.0012694100000000, 0.0016461100000000, 0.0007065600000000 ] - [ -0.0003638400000000, -0.0030515900000000, -0.0011634500000000 ] - [ 0.0005183900000000, -0.0001278600000000, -0.0002590000000000 ] - [ 0.0006592000000000, -0.0001270200000000, -0.0002515900000000 ] - [ 0.0044654800000000, -0.0007233800000000, -0.0004093500000000 ] - [ -0.0006463700000000, -0.0005601000000000, -0.0000093700000000 ] - [ -0.0005095000000000, -0.0001289700000000, 0.0002436100000000 ] - [ -0.0006766400000000, -0.0001278000000000, 0.0002289200000000 ] - [ -0.0022418300000000, -0.0004496700000000, -0.0002305200000000 ] - [ 0.0034243300000000, -0.0010862600000000, 0.0000700800000000 ] - [ 0.0002460900000000, -0.0002882300000000, 0.0001917500000000 ] - [ 0.0001572100000000, -0.0002901800000000, 0.0001574000000000 ] - [ -0.0032670100000000, 0.0026505600000000, -0.0015282100000000 ] - [ 0.0023422600000000, 0.0011816100000000, 0.0000810800000000 ] - [ -0.0002479100000000, -0.0002931600000000, -0.0002229100000000 ] - [ -0.0001734000000000, -0.0002935100000000, -0.0002123600000000 ] - [ 0.0013201500000000, 0.0011394800000000, -0.0006409700000000 ] - [ 0.0012143200000000, -0.0029628100000000, 0.0010369300000000 ] - [ 0.0281394200000000, -0.0044720000000000, -0.0020605300000000 ] - [ -0.0028235200000000, 0.0000019700000000, 0.0001075200000000 ] - [ -0.0019647800000000, 0.0001981400000000, -0.0001460500000000 ] - [ 0.0027852200000000, 0.0000578200000000, -0.0000161300000000 ] - [ 0.0000157100000000, -0.0000668800000000, 0.0001247400000000 ] - [ 0.0000166200000000, -0.0000743700000000, 0.0000929200000000 ] - [ -0.0000171300000000, -0.0000668900000000, -0.0001183300000000 ] - [ -0.0000169500000000, -0.0000827700000000, -0.0000492500000000 ] - [ -0.0001408300000000, -0.0000059900000000, 0.0000472900000000 ] - [ 0.0000779300000000, -0.0000096200000000, 0.0000373600000000 ] - [ -0.0059874600000000, -0.0068279500000000, 0.0001322000000000 ] - [ -0.0081899100000000, 0.0109061700000000, -0.0000538600000000 ] - [ -0.0094057100000000, 0.0096606800000000, 0.0074264300000000 ] - [ -0.0078872900000000, -0.0041911000000000, -0.0038591100000000 ] - [ 0.0001632100000000, 0.0000033300000000, -0.0000082500000000 ] - [ -0.0000886400000000, -0.0000038200000000, 0.0000450500000000 ] - [ 0.0024723200000000, 0.0002608800000000, -0.0004366600000000 ] - [ -0.0021594700000000, -0.0000990500000000, -0.0001751800000000 ] - [ -0.0002827300000000, -0.0000556400000000, 0.0010739200000000 ] - [ -0.0000202800000000, 0.0000268000000000, -0.0003249000000000 ] - [ -0.0025481800000000, -0.0002281700000000, 0.0004318800000000 ] - [ 0.0053162600000000, 0.0013125000000000, 0.0004214400000000 ] - [ 0.0003274400000000, -0.0001140900000000, -0.0012072700000000 ] - [ -0.0000438600000000, 0.0000682400000000, 0.0008888100000000 ] - [ -0.0001262900000000, 0.0001484600000000, -0.0002798600000000 ] - [ -0.0001417900000000, 0.0001535200000000, -0.0000162900000000 ] - [ -0.0012600200000000, -0.0001762000000000, 0.0001049700000000 ] - [ 0.0015283700000000, -0.0000397600000000, 0.0003438800000000 ] - [ 0.0001171900000000, 0.0001212600000000, 0.0002742400000000 ] - [ 0.0001148600000000, 0.0001592400000000, 0.0000725900000000 ] - [ 0.0014742300000000, -0.0001099800000000, -0.0001576400000000 ] - [ -0.0009002900000000, -0.0001321900000000, -0.0001740700000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001148200000000, 0.0000772600000000, 0.0001692800000000 ] - [ -0.0001215800000000, 0.0000303700000000, 0.0002195200000000 ] - [ -0.0002023000000000, 0.0006521300000000, 0.0000043900000000 ] - [ -0.0002917100000000, 0.0006853500000000, -0.0000728200000000 ] - [ 0.0001406700000000, -0.0001150500000000, -0.0000979400000000 ] - [ 0.0001599300000000, -0.0002494100000000, -0.0002600600000000 ] - [ -0.0002652000000000, -0.0012492500000000, 0.0004655300000000 ] - [ 0.0002156900000000, -0.0012575300000000, 0.0005963600000000 ] - [ 0.0001477500000000, -0.0000112400000000, 0.0004652400000000 ] - [ 0.0001390500000000, -0.0000045500000000, 0.0004721700000000 ] - [ 0.0005363500000000, -0.0011181500000000, -0.0013463800000000 ] - [ -0.0007481600000000, -0.0010644500000000, -0.0015442600000000 ] - [ -0.0001388100000000, 0.0000589100000000, -0.0002553400000000 ] - [ -0.0001226700000000, 0.0000715200000000, -0.0002592000000000 ] - [ -0.0012386800000000, 0.0017654800000000, -0.0006063100000000 ] - [ 0.0004487600000000, 0.0013310500000000, -0.0001650200000000 ] - [ -0.0006581700000000, 0.0001467600000000, -0.0003161000000000 ] - [ -0.0006608900000000, 0.0000973000000000, -0.0003365500000000 ] - [ -0.0001755900000000, 0.0000003100000000, 0.0003074900000000 ] - [ -0.0008956600000000, -0.0001758300000000, 0.0012525700000000 ] - [ 0.0007858100000000, 0.0000748700000000, -0.0000783100000000 ] - [ 0.0007645800000000, 0.0000602300000000, -0.0000726500000000 ] - [ 0.0007190500000000, -0.0002666400000000, 0.0003395400000000 ] - [ 0.0010444400000000, -0.0001324500000000, 0.0001251700000000 ] - [ -0.0004930100000000, -0.0002474200000000, -0.0011255500000000 ] - [ -0.0004646100000000, -0.0002677800000000, -0.0012476600000000 ] - [ -0.0003520300000000, 0.0003961800000000, 0.0014860600000000 ] - [ -0.0004089000000000, 0.0004648300000000, 0.0005195300000000 ] - [ 0.0005872900000000, -0.0004656500000000, 0.0001190800000000 ] - [ 0.0005465600000000, -0.0004530400000000, 0.0001619500000000 ] - [ 0.0006262900000000, 0.0003527900000000, -0.0005019500000000 ] - [ 0.0005820600000000, 0.0001945700000000, -0.0001951500000000 ] - [ 0.0001038100000000, 0.0006980100000000, 0.0001762900000000 ] - [ 0.0000820100000000, 0.0006822300000000, 0.0001243900000000 ] - [ 0.0002848700000000, -0.0013826200000000, 0.0005459500000000 ] - [ 0.0000867600000000, -0.0009943600000000, -0.0003184500000000 ] - [ -0.0001511000000000, 0.0008578800000000, -0.0005008600000000 ] - [ -0.0001516500000000, 0.0008635000000000, -0.0004824200000000 ] - [ -0.0001321200000000, -0.0006013800000000, 0.0004599900000000 ] - [ -0.0002052700000000, -0.0008359900000000, 0.0011059600000000 ] - [ -0.0002823000000000, -0.0006136100000000, 0.0000854100000000 ] - [ -0.0003722500000000, -0.0005419200000000, 0.0000685900000000 ] - [ -0.0000783500000000, 0.0023626400000000, 0.0005638500000000 ] - [ -0.0001538200000000, 0.0012942400000000, -0.0004025800000000 ] - [ 0.0001524700000000, -0.0009344100000000, -0.0004895000000000 ] - [ 0.0001776900000000, -0.0009079500000000, -0.0004831900000000 ] - [ 0.0002308700000000, 0.0004915200000000, 0.0004015100000000 ] - [ 0.0002423300000000, 0.0001907000000000, 0.0005872900000000 ] - [ -0.0024641600000000, 0.0015235800000000, -0.0011260500000000 ] - [ -0.0009434800000000, 0.0019760000000000, 0.0006713900000000 ] - [ 0.0001742500000000, 0.0001196700000000, 0.0001644500000000 ] - [ 0.0001666600000000, 0.0001406200000000, 0.0000865800000000 ] - [ 0.0002373100000000, -0.0017334300000000, -0.0020005600000000 ] - [ -0.0024118800000000, -0.0020144900000000, -0.0007791300000000 ] - [ -0.0001495900000000, 0.0000380800000000, -0.0002566500000000 ] - [ -0.0001516700000000, 0.0000465400000000, -0.0002248000000000 ] - [ 0.0001173500000000, -0.0000980100000000, -0.0002380700000000 ] - [ 0.0001146200000000, -0.0000933700000000, -0.0002234900000000 ] - [ 0.0009762900000000, 0.0030980800000000, -0.0020046700000000 ] - [ -0.0017778600000000, 0.0022876700000000, -0.0005361100000000 ] - [ -0.0001029000000000, -0.0002087100000000, 0.0001105100000000 ] - [ -0.0001079700000000, -0.0001965000000000, 0.0000812800000000 ] - [ -0.0028549000000000, -0.0026396300000000, -0.0012894400000000 ] - [ 0.0001300200000000, -0.0025634200000000, -0.0012982600000000 ] - [ 0.0005850100000000, -0.0001277200000000, -0.0003001100000000 ] - [ 0.0005929100000000, -0.0001302600000000, -0.0003078700000000 ] - [ 0.0030834200000000, 0.0001512800000000, -0.0011803600000000 ] - [ -0.0008693500000000, 0.0038003500000000, 0.0013587400000000 ] - [ -0.0005741400000000, -0.0001253500000000, 0.0001881600000000 ] - [ -0.0006026800000000, -0.0001336200000000, 0.0002058500000000 ] - [ -0.0025883300000000, 0.0048007800000000, -0.0000353600000000 ] - [ 0.0015741100000000, -0.0005330900000000, -0.0005930400000000 ] - [ 0.0001812900000000, -0.0002832300000000, 0.0000412300000000 ] - [ 0.0001777200000000, -0.0002802400000000, 0.0000602800000000 ] - [ -0.0014753100000000, 0.0049958800000000, -0.0025037000000000 ] - [ -0.0020818500000000, 0.0001920600000000, 0.0007306500000000 ] - [ -0.0002237400000000, -0.0003074100000000, -0.0002940500000000 ] - [ -0.0002272000000000, -0.0002991500000000, -0.0003325000000000 ] - [ -0.0029312200000000, 0.0002918100000000, 0.0020242800000000 ] - [ 0.0032216400000000, -0.0018782400000000, 0.0000595300000000 ] - [ 0.0044089000000000, -0.0278583100000000, -0.0075329700000000 ] - [ 0.0000541500000000, -0.0012090600000000, -0.0004490200000000 ] - [ 0.0001422800000000, 0.0012967700000000, -0.0006343500000000 ] - [ 0.0000014800000000, 0.0047142300000000, -0.0004191400000000 ] - [ 0.0000113000000000, -0.0000568900000000, 0.0001663900000000 ] - [ 0.0000185400000000, -0.0000566900000000, 0.0001676000000000 ] - [ -0.0000270100000000, -0.0000930400000000, -0.0000181200000000 ] - [ -0.0000109300000000, -0.0000929000000000, -0.0000201200000000 ] - [ -0.0000312900000000, -0.0000095000000000, 0.0002359700000000 ] - [ -0.0000162000000000, -0.0000266700000000, 0.0001924300000000 ] - [ 0.0134597800000000, 0.0023624500000000, 0.0008727200000000 ] - [ -0.0076513500000000, 0.0064497600000000, 0.0038181000000000 ] - [ -0.0082042200000000, 0.0018528200000000, 0.0100723400000000 ] - [ 0.0102381200000000, 0.0001922800000000, 0.0016512400000000 ] - [ 0.0000574600000000, 0.0000452500000000, 0.0001131300000000 ] - [ 0.0000238300000000, -0.0000044500000000, 0.0002062400000000 ] - [ -0.0001533800000000, 0.0008516400000000, -0.0012849700000000 ] - [ -0.0004650500000000, 0.0001032700000000, -0.0004167400000000 ] - [ -0.0001270800000000, 0.0000333000000000, 0.0008614800000000 ] - [ -0.0001214400000000, 0.0000010600000000, 0.0008025500000000 ] - [ -0.0004027500000000, -0.0002718800000000, 0.0003354900000000 ] - [ -0.0003110400000000, 0.0010343600000000, -0.0039587400000000 ] - [ 0.0001411600000000, -0.0000698100000000, 0.0004550500000000 ] - [ 0.0002307000000000, -0.0001234500000000, 0.0006160000000000 ] - [ -0.0002439500000000, 0.0002046200000000, -0.0002111500000000 ] - [ -0.0000087000000000, 0.0002216200000000, -0.0002408100000000 ] - [ -0.0000606000000000, -0.0000642600000000, 0.0007043800000000 ] - [ -0.0001660200000000, 0.0008971800000000, 0.0025162600000000 ] - [ 0.0001517900000000, 0.0001069000000000, 0.0001698400000000 ] - [ 0.0000748500000000, 0.0001188900000000, 0.0001590500000000 ] - [ 0.0001332300000000, -0.0002058300000000, 0.0009203900000000 ] - [ 0.0001336700000000, -0.0001701400000000, 0.0002259000000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001469200000000, -0.0001406500000000, 0.0001661700000000 ] - [ -0.0001398100000000, -0.0000937300000000, 0.0001155300000000 ] - [ -0.0000569300000000, -0.0005875400000000, -0.0003428100000000 ] - [ 0.0000303600000000, -0.0006199200000000, -0.0002645400000000 ] - [ 0.0001208200000000, 0.0000504100000000, -0.0002380800000000 ] - [ 0.0001012900000000, 0.0001844900000000, -0.0000777100000000 ] - [ 0.0005166000000000, 0.0013119800000000, -0.0001353800000000 ] - [ 0.0000512400000000, 0.0013234400000000, -0.0002659700000000 ] - [ 0.0001278000000000, 0.0000535500000000, 0.0002835100000000 ] - [ 0.0001365200000000, 0.0000473200000000, 0.0002766600000000 ] - [ -0.0002574400000000, 0.0010691400000000, 0.0005965900000000 ] - [ 0.0010307700000000, 0.0010135600000000, 0.0007957900000000 ] - [ -0.0001362400000000, -0.0000178500000000, -0.0004936000000000 ] - [ -0.0001521400000000, -0.0000303200000000, -0.0004896800000000 ] - [ 0.0009664000000000, -0.0018047900000000, 0.0013573200000000 ] - [ -0.0007340300000000, -0.0013701900000000, 0.0009184700000000 ] - [ -0.0007968000000000, 0.0000229400000000, 0.0001428000000000 ] - [ -0.0007980100000000, 0.0000724600000000, 0.0001643500000000 ] - [ -0.0012770700000000, -0.0001699500000000, -0.0001344800000000 ] - [ -0.0005676000000000, -0.0000055200000000, -0.0010854900000000 ] - [ 0.0006710900000000, 0.0000948500000000, 0.0002511300000000 ] - [ 0.0006909300000000, 0.0001088900000000, 0.0002446800000000 ] - [ 0.0007326100000000, 0.0000994300000000, -0.0005106000000000 ] - [ 0.0004157600000000, -0.0000365400000000, -0.0002949300000000 ] - [ -0.0005799300000000, -0.0005270100000000, 0.0000260900000000 ] - [ -0.0006078500000000, -0.0005068000000000, 0.0001490000000000 ] - [ -0.0007247700000000, 0.0003694500000000, -0.0003743100000000 ] - [ -0.0006639200000000, 0.0003114000000000, 0.0005770300000000 ] - [ 0.0004865100000000, -0.0003105300000000, 0.0009838500000000 ] - [ 0.0005267200000000, -0.0003235800000000, 0.0009441800000000 ] - [ 0.0004461200000000, 0.0004239100000000, -0.0006035900000000 ] - [ 0.0004924100000000, 0.0005829600000000, -0.0009061600000000 ] - [ 0.0001504200000000, 0.0008951500000000, 0.0005290300000000 ] - [ 0.0001736600000000, 0.0009116300000000, 0.0005804900000000 ] - [ -0.0000277900000000, -0.0002304000000000, -0.0012634800000000 ] - [ 0.0001688600000000, -0.0006001300000000, -0.0003875200000000 ] - [ -0.0001038100000000, 0.0007384900000000, -0.0002048600000000 ] - [ -0.0001023000000000, 0.0007301200000000, -0.0002238800000000 ] - [ -0.0001214900000000, -0.0009904900000000, 0.0002461300000000 ] - [ -0.0000460600000000, -0.0007498000000000, -0.0004021500000000 ] - [ -0.0001737500000000, -0.0009672400000000, 0.0005516000000000 ] - [ -0.0000830700000000, -0.0010392500000000, 0.0005685600000000 ] - [ -0.0003818700000000, -0.0008023100000000, -0.0011912000000000 ] - [ -0.0003046100000000, 0.0002823800000000, -0.0002312500000000 ] - [ 0.0003014100000000, -0.0006526400000000, -0.0001511400000000 ] - [ 0.0002787700000000, -0.0006738700000000, -0.0001550000000000 ] - [ 0.0002249600000000, 0.0010883700000000, 0.0002364300000000 ] - [ 0.0002132800000000, 0.0013948400000000, 0.0000565000000000 ] - [ 0.0027758500000000, -0.0016761000000000, 0.0007741100000000 ] - [ 0.0011815200000000, -0.0020864100000000, -0.0009921600000000 ] - [ 0.0001503800000000, 0.0000537900000000, 0.0001791500000000 ] - [ 0.0001547200000000, 0.0000272300000000, 0.0002599500000000 ] - [ -0.0005688000000000, 0.0015567400000000, 0.0023503200000000 ] - [ 0.0020820700000000, 0.0018422600000000, 0.0011231700000000 ] - [ -0.0001696700000000, 0.0001271600000000, -0.0000920000000000 ] - [ -0.0001686000000000, 0.0001191500000000, -0.0001226100000000 ] - [ 0.0000995400000000, -0.0001904800000000, -0.0000778800000000 ] - [ 0.0001028300000000, -0.0001932700000000, -0.0000936400000000 ] - [ -0.0007477700000000, -0.0028421800000000, 0.0023305700000000 ] - [ 0.0020020300000000, -0.0020132500000000, 0.0008581200000000 ] - [ -0.0001135500000000, -0.0000804400000000, 0.0002073700000000 ] - [ -0.0001095300000000, -0.0000898700000000, 0.0002364600000000 ] - [ 0.0026412900000000, 0.0029296900000000, 0.0009764900000000 ] - [ -0.0003333200000000, 0.0028666200000000, 0.0009751500000000 ] - [ 0.0005977200000000, -0.0001280500000000, -0.0001899400000000 ] - [ 0.0005856700000000, -0.0001248500000000, -0.0001823800000000 ] - [ -0.0018990600000000, 0.0001020100000000, 0.0016752700000000 ] - [ 0.0018922900000000, -0.0037129300000000, -0.0010016100000000 ] - [ -0.0006075900000000, -0.0001307200000000, 0.0003024800000000 ] - [ -0.0005830100000000, -0.0001234000000000, 0.0002857200000000 ] - [ 0.0016304700000000, -0.0041695400000000, -0.0004096700000000 ] - [ -0.0027539100000000, 0.0007997300000000, 0.0000895300000000 ] - [ 0.0002317300000000, -0.0002984800000000, 0.0003527300000000 ] - [ 0.0002338800000000, -0.0003020100000000, 0.0003322900000000 ] - [ 0.0021503300000000, -0.0046579800000000, 0.0020946600000000 ] - [ 0.0024994400000000, 0.0003885000000000, -0.0011230200000000 ] - [ -0.0001876500000000, -0.0002758900000000, -0.0000974300000000 ] - [ -0.0001840500000000, -0.0002834000000000, -0.0000588500000000 ] - [ 0.0025069400000000, 0.0002911100000000, -0.0016318500000000 ] - [ -0.0036102600000000, 0.0024766700000000, 0.0003285200000000 ] - [ -0.0047502800000000, 0.0279696200000000, 0.0077548800000000 ] - [ -0.0000877100000000, 0.0013536200000000, 0.0006398400000000 ] - [ -0.0001081000000000, -0.0011491300000000, 0.0004441100000000 ] - [ 0.0000315000000000, -0.0045676200000000, 0.0002143600000000 ] - [ 0.0000223800000000, -0.0000886100000000, 0.0000243000000000 ] - [ 0.0000151800000000, -0.0000887700000000, 0.0000244200000000 ] - [ -0.0000063600000000, -0.0000526200000000, -0.0001724100000000 ] - [ -0.0000221500000000, -0.0000526300000000, -0.0001711400000000 ] - [ -0.0000360800000000, -0.0000007700000000, -0.0002192000000000 ] - [ -0.0000513600000000, 0.0000160500000000, -0.0001752400000000 ] - [ -0.0133554700000000, -0.0023338300000000, -0.0008412800000000 ] - [ 0.0076514300000000, -0.0064812000000000, -0.0037410400000000 ] - [ 0.0081783500000000, -0.0018039300000000, -0.0101038000000000 ] - [ -0.0102996000000000, -0.0001791800000000, -0.0016820500000000 ] - [ 0.0000106200000000, -0.0000558900000000, -0.0001302400000000 ] - [ 0.0000441300000000, -0.0000061700000000, -0.0002234900000000 ] - [ -0.0001411900000000, -0.0008200000000000, 0.0007194300000000 ] - [ 0.0001699100000000, -0.0000622500000000, -0.0001439300000000 ] - [ -0.0001656500000000, -0.0000744300000000, -0.0003000800000000 ] - [ -0.0001716600000000, -0.0000425900000000, -0.0002427700000000 ] - [ 0.0006948200000000, 0.0003163000000000, 0.0002251600000000 ] - [ 0.0006209900000000, -0.0009290700000000, 0.0045246900000000 ] - [ 0.0001526700000000, 0.0000271900000000, -0.0010158300000000 ] - [ 0.0000635800000000, 0.0000804900000000, -0.0011768700000000 ] - [ 0.0000009600000000, 0.0000894200000000, -0.0001172000000000 ] - [ -0.0002326300000000, 0.0000731200000000, -0.0000873500000000 ] - [ -0.0001809300000000, -0.0002302500000000, -0.0003746800000000 ] - [ -0.0000772700000000, -0.0011933100000000, -0.0021719800000000 ] - [ 0.0000907300000000, 0.0001869900000000, 0.0001587800000000 ] - [ 0.0001676700000000, 0.0001750800000000, 0.0001694300000000 ] - [ 0.0001102000000000, -0.0000837100000000, -0.0012478400000000 ] - [ 0.0001082900000000, -0.0001234400000000, -0.0005540500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000994000000000, -0.0001302500000000, 0.0008875700000000 ] - [ -0.0000988400000000, -0.0000069800000000, 0.0006808900000000 ] - [ -0.0004592200000000, 0.0000233300000000, -0.0000020200000000 ] - [ 0.0001563600000000, 0.0000887000000000, 0.0000447800000000 ] - [ 0.0001866300000000, -0.0001131400000000, 0.0002072800000000 ] - [ 0.0001154500000000, 0.0003088900000000, 0.0008891700000000 ] - [ 0.0029724000000000, 0.0003382700000000, 0.0008437800000000 ] - [ -0.0018773800000000, 0.0004815800000000, 0.0005200100000000 ] - [ 0.0001398200000000, 0.0000048000000000, 0.0010726000000000 ] - [ 0.0001473000000000, -0.0000196100000000, 0.0009869300000000 ] - [ -0.0014424900000000, -0.0011594900000000, -0.0001422300000000 ] - [ 0.0018130700000000, -0.0011281800000000, 0.0001237200000000 ] - [ -0.0001053000000000, 0.0000566400000000, 0.0001892900000000 ] - [ -0.0001642400000000, 0.0000162100000000, 0.0003059800000000 ] - [ 0.0008900600000000, -0.0004650900000000, -0.0012301700000000 ] - [ -0.0011259800000000, -0.0004375400000000, -0.0011684400000000 ] - [ -0.0009424300000000, -0.0000364400000000, -0.0006720200000000 ] - [ -0.0002277200000000, 0.0000284900000000, -0.0005517700000000 ] - [ -0.0014941400000000, 0.0001004800000000, 0.0002885300000000 ] - [ 0.0016231100000000, 0.0018396900000000, -0.0009723500000000 ] - [ 0.0010336700000000, 0.0001136700000000, -0.0004816100000000 ] - [ 0.0007261700000000, 0.0001021500000000, -0.0005260000000000 ] - [ 0.0011191100000000, 0.0005556100000000, -0.0007270900000000 ] - [ 0.0004191500000000, 0.0000664500000000, -0.0003124100000000 ] - [ -0.0010650000000000, -0.0007557000000000, -0.0015206800000000 ] - [ -0.0000284600000000, -0.0007066500000000, -0.0014737400000000 ] - [ 0.0000035000000000, 0.0016576500000000, -0.0031575900000000 ] - [ -0.0006157700000000, 0.0003964200000000, 0.0005654200000000 ] - [ 0.0007837400000000, -0.0003584500000000, -0.0006154200000000 ] - [ 0.0004098600000000, -0.0003358700000000, -0.0005024500000000 ] - [ 0.0004953200000000, 0.0005177700000000, -0.0012246000000000 ] - [ 0.0006744300000000, 0.0010370700000000, -0.0022073600000000 ] - [ -0.0001886500000000, 0.0005164900000000, -0.0001715800000000 ] - [ 0.0001665200000000, 0.0007204300000000, -0.0001361600000000 ] - [ -0.0005004100000000, 0.0023204900000000, -0.0004706500000000 ] - [ 0.0000837800000000, -0.0005839400000000, 0.0000344900000000 ] - [ -0.0001778800000000, 0.0009036200000000, -0.0009457500000000 ] - [ -0.0003146800000000, 0.0009727000000000, -0.0008929900000000 ] - [ 0.0000799300000000, -0.0005055000000000, 0.0001444100000000 ] - [ 0.0000957000000000, 0.0009350100000000, -0.0014187000000000 ] - [ -0.0005221700000000, -0.0005772900000000, -0.0002705500000000 ] - [ -0.0000694100000000, -0.0008283000000000, -0.0002565400000000 ] - [ 0.0010299100000000, 0.0038415500000000, -0.0000914800000000 ] - [ -0.0001882900000000, 0.0007051900000000, 0.0001186900000000 ] - [ 0.0001727600000000, -0.0009737500000000, -0.0010099200000000 ] - [ 0.0000425900000000, -0.0010298500000000, -0.0009611100000000 ] - [ 0.0002176800000000, 0.0007705900000000, 0.0002597400000000 ] - [ 0.0001242200000000, 0.0012637000000000, 0.0001126600000000 ] - [ -0.0008002600000000, -0.0015929300000000, 0.0018128100000000 ] - [ -0.0015008900000000, -0.0010514700000000, 0.0059713000000000 ] - [ 0.0002365900000000, 0.0004148000000000, -0.0007913200000000 ] - [ 0.0002607800000000, 0.0003204000000000, -0.0004751300000000 ] - [ 0.0002536900000000, -0.0016784900000000, 0.0016736800000000 ] - [ -0.0018669300000000, -0.0009309000000000, 0.0002309900000000 ] - [ -0.0000617800000000, -0.0001960900000000, -0.0008932300000000 ] - [ -0.0000668500000000, -0.0002285200000000, -0.0010094600000000 ] - [ 0.0001919800000000, 0.0000551000000000, -0.0007849600000000 ] - [ 0.0001911400000000, 0.0000593900000000, -0.0008578100000000 ] - [ 0.0037492200000000, -0.0039705800000000, 0.0023230100000000 ] - [ -0.0016380600000000, -0.0001263700000000, 0.0007273600000000 ] - [ -0.0000327500000000, -0.0003103100000000, -0.0005823400000000 ] - [ -0.0000135700000000, -0.0003266400000000, -0.0004398700000000 ] - [ -0.0002079100000000, 0.0000400400000000, 0.0009392100000000 ] - [ 0.0003562600000000, -0.0005882400000000, 0.0023017800000000 ] - [ 0.0005966100000000, -0.0001549500000000, -0.0007908000000000 ] - [ 0.0005790000000000, -0.0001471000000000, -0.0007503000000000 ] - [ 0.0022394200000000, -0.0012476000000000, 0.0022777600000000 ] - [ -0.0005628000000000, 0.0013108900000000, 0.0039012300000000 ] - [ -0.0006480800000000, -0.0001078900000000, -0.0002551500000000 ] - [ -0.0005468800000000, -0.0000847700000000, -0.0003278200000000 ] - [ -0.0008389500000000, 0.0002419400000000, 0.0028626700000000 ] - [ 0.0003961700000000, -0.0010013800000000, 0.0020841700000000 ] - [ -0.0000045100000000, -0.0002462200000000, -0.0008237600000000 ] - [ -0.0000002600000000, -0.0002493600000000, -0.0009310600000000 ] - [ 0.0001881900000000, -0.0014355100000000, 0.0054509600000000 ] - [ -0.0013417800000000, 0.0002295000000000, 0.0033653900000000 ] - [ -0.0004352900000000, -0.0003172700000000, -0.0014048200000000 ] - [ -0.0004141100000000, -0.0003368700000000, -0.0012234500000000 ] - [ -0.0007585600000000, 0.0007115400000000, 0.0031631600000000 ] - [ -0.0027263500000000, 0.0014420400000000, 0.0057711100000000 ] - [ 0.0021294400000000, -0.0074981700000000, -0.0176455400000000 ] - [ -0.0000315800000000, -0.0004696100000000, -0.0012018200000000 ] - [ 0.0000701000000000, 0.0006143400000000, -0.0009258000000000 ] - [ -0.0000588600000000, 0.0003913200000000, -0.0016525200000000 ] - [ 0.0000452300000000, -0.0001437200000000, 0.0006802900000000 ] - [ 0.0000140800000000, -0.0001450100000000, 0.0006693600000000 ] - [ 0.0000310200000000, 0.0000025300000000, 0.0004812800000000 ] - [ -0.0000383200000000, 0.0000040000000000, 0.0004805100000000 ] - [ 0.0000149100000000, 0.0000390800000000, 0.0016602700000000 ] - [ -0.0000122700000000, 0.0000800300000000, 0.0018562600000000 ] - [ 0.0014301400000000, 0.0015856400000000, -0.0050882500000000 ] - [ -0.0006776200000000, 0.0047088900000000, -0.0114528100000000 ] - [ -0.0059940700000000, 0.0100542800000000, -0.0083213300000000 ] - [ 0.0077656200000000, 0.0016433400000000, -0.0034032800000000 ] - [ 0.0000032300000000, -0.0001884600000000, 0.0019986800000000 ] - [ 0.0001356700000000, -0.0000298500000000, 0.0015901200000000 ] - [ -0.0010763400000000, -0.0027756600000000, 0.0021487500000000 ] - [ 0.0000190000000000, -0.0003621200000000, 0.0005251600000000 ] - [ -0.0003705400000000, -0.0000392600000000, 0.0021192400000000 ] - [ 0.0001273500000000, -0.0000338400000000, 0.0019791400000000 ] - [ 0.0008068800000000, 0.0000179600000000, -0.0000308100000000 ] - [ -0.0031947300000000, -0.0097814900000000, 0.0083699500000000 ] - [ 0.0007924300000000, 0.0001457300000000, 0.0013650700000000 ] - [ -0.0004364700000000, 0.0001718500000000, 0.0011840500000000 ] - [ 0.0002810600000000, 0.0000214800000000, 0.0004989300000000 ] - [ -0.0005688200000000, 0.0000175100000000, 0.0005527900000000 ] - [ -0.0001558400000000, -0.0000401300000000, -0.0001973800000000 ] - [ -0.0002949200000000, 0.0017873000000000, 0.0013648700000000 ] - [ -0.0000456400000000, 0.0001793900000000, 0.0008578600000000 ] - [ 0.0002474500000000, 0.0001717100000000, 0.0008531200000000 ] - [ 0.0002104100000000, 0.0008843000000000, 0.0017835700000000 ] - [ 0.0000452300000000, -0.0000412100000000, 0.0002223800000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001634400000000, 0.0000675500000000, -0.0005543900000000 ] - [ -0.0001634400000000, -0.0000564400000000, -0.0003456500000000 ] - [ 0.0002002100000000, 0.0000423800000000, -0.0003281400000000 ] - [ -0.0004206000000000, -0.0000231200000000, -0.0003735100000000 ] - [ 0.0000761600000000, 0.0000479700000000, -0.0005419900000000 ] - [ 0.0001463300000000, -0.0003717700000000, -0.0012220200000000 ] - [ -0.0026888300000000, -0.0002714700000000, -0.0005082300000000 ] - [ 0.0021228000000000, -0.0004104200000000, -0.0001903100000000 ] - [ 0.0001349300000000, 0.0000358000000000, -0.0003256900000000 ] - [ 0.0001273800000000, 0.0000604500000000, -0.0002387900000000 ] - [ 0.0017326200000000, 0.0011203000000000, -0.0006013200000000 ] - [ -0.0015510100000000, 0.0010936400000000, -0.0008673400000000 ] - [ -0.0001687100000000, -0.0000172800000000, -0.0009361000000000 ] - [ -0.0001096300000000, 0.0000236000000000, -0.0010521200000000 ] - [ -0.0011646900000000, 0.0004227600000000, 0.0019636700000000 ] - [ 0.0008458900000000, 0.0003949300000000, 0.0019053700000000 ] - [ -0.0005081000000000, 0.0002032500000000, 0.0004983300000000 ] - [ -0.0012221700000000, 0.0001389900000000, 0.0003797600000000 ] - [ 0.0000434100000000, -0.0002659000000000, -0.0001112500000000 ] - [ -0.0030575600000000, -0.0019906100000000, 0.0011379100000000 ] - [ 0.0004155400000000, 0.0000540600000000, 0.0006540200000000 ] - [ 0.0007250000000000, 0.0000651400000000, 0.0006978200000000 ] - [ 0.0003185800000000, -0.0007293000000000, 0.0005541300000000 ] - [ 0.0010350000000000, -0.0002347200000000, 0.0001387300000000 ] - [ -0.0000133400000000, -0.0000229900000000, 0.0004189900000000 ] - [ -0.0010421100000000, -0.0000718200000000, 0.0003730200000000 ] - [ -0.0010800600000000, -0.0008796500000000, 0.0042565300000000 ] - [ -0.0004584700000000, 0.0003818100000000, 0.0005381900000000 ] - [ 0.0002898800000000, -0.0004181400000000, 0.0017193600000000 ] - [ 0.0006664600000000, -0.0004410600000000, 0.0016080300000000 ] - [ 0.0005779700000000, 0.0002603000000000, 0.0001120000000000 ] - [ 0.0003984100000000, -0.0002669000000000, 0.0011082600000000 ] - [ 0.0004431900000000, 0.0010805900000000, 0.0008796400000000 ] - [ 0.0000912300000000, 0.0008781800000000, 0.0008444100000000 ] - [ 0.0007529700000000, -0.0038983900000000, -0.0002376600000000 ] - [ 0.0001724800000000, -0.0010123100000000, -0.0007389600000000 ] - [ -0.0000800800000000, 0.0006986200000000, 0.0002363700000000 ] - [ 0.0000597800000000, 0.0006257900000000, 0.0001830100000000 ] - [ -0.0003360300000000, -0.0010918400000000, 0.0005620700000000 ] - [ -0.0003507100000000, -0.0025521200000000, 0.0021427000000000 ] - [ 0.0000630300000000, -0.0010045900000000, 0.0009086900000000 ] - [ -0.0003866400000000, -0.0007545600000000, 0.0008946200000000 ] - [ -0.0014383100000000, -0.0023222300000000, -0.0002432600000000 ] - [ -0.0002730100000000, 0.0008673500000000, -0.0007467500000000 ] - [ 0.0002824600000000, -0.0006145300000000, 0.0003679200000000 ] - [ 0.0004170700000000, -0.0005517200000000, 0.0003216900000000 ] - [ 0.0002418600000000, 0.0008062200000000, 0.0003734400000000 ] - [ 0.0003365100000000, 0.0003092600000000, 0.0005213200000000 ] - [ 0.0011275900000000, 0.0014286000000000, -0.0021527000000000 ] - [ 0.0017156400000000, 0.0009646300000000, -0.0062980500000000 ] - [ 0.0000858000000000, -0.0002510000000000, 0.0011407500000000 ] - [ 0.0000574300000000, -0.0001647600000000, 0.0008305200000000 ] - [ -0.0005742800000000, 0.0015274400000000, -0.0013324000000000 ] - [ 0.0015359500000000, 0.0007699900000000, 0.0001166300000000 ] - [ -0.0002541700000000, 0.0003494000000000, 0.0005354300000000 ] - [ -0.0002494800000000, 0.0003814700000000, 0.0006531200000000 ] - [ 0.0000232000000000, -0.0003400500000000, 0.0004673700000000 ] - [ 0.0000246200000000, -0.0003421200000000, 0.0005393200000000 ] - [ -0.0034827000000000, 0.0042396800000000, -0.0020949700000000 ] - [ 0.0018559800000000, 0.0004147500000000, -0.0004140100000000 ] - [ -0.0001823900000000, 0.0000255700000000, 0.0009015400000000 ] - [ -0.0002014800000000, 0.0000434600000000, 0.0007588600000000 ] - [ 0.0000093000000000, 0.0002558900000000, -0.0012469800000000 ] - [ -0.0005696500000000, 0.0008798800000000, -0.0026163100000000 ] - [ 0.0005896300000000, -0.0000988900000000, 0.0003002700000000 ] - [ 0.0006032900000000, -0.0001063000000000, 0.0002593100000000 ] - [ -0.0010523000000000, 0.0015084000000000, -0.0017987400000000 ] - [ 0.0016618400000000, -0.0011451100000000, -0.0034632200000000 ] - [ -0.0005375500000000, -0.0001462000000000, 0.0007459700000000 ] - [ -0.0006434300000000, -0.0001706400000000, 0.0008194900000000 ] - [ -0.0003395600000000, 0.0000007900000000, -0.0033569000000000 ] - [ -0.0015879800000000, 0.0012590400000000, -0.0025786300000000 ] - [ 0.0004195500000000, -0.0003338000000000, 0.0012268000000000 ] - [ 0.0004136000000000, -0.0003310600000000, 0.0013323700000000 ] - [ 0.0002125400000000, 0.0020450400000000, -0.0058889000000000 ] - [ 0.0017524000000000, 0.0003506400000000, -0.0037705900000000 ] - [ 0.0000213500000000, -0.0002644600000000, 0.0010024400000000 ] - [ 0.0000006100000000, -0.0002438500000000, 0.0008219900000000 ] - [ 0.0003545800000000, -0.0001330600000000, -0.0027746400000000 ] - [ 0.0023042700000000, -0.0008533700000000, -0.0053845200000000 ] - [ -0.0021174600000000, 0.0077839300000000, 0.0175480500000000 ] - [ -0.0000029800000000, 0.0006165800000000, 0.0013922500000000 ] - [ -0.0000353600000000, -0.0004688300000000, 0.0007382900000000 ] - [ 0.0000943200000000, -0.0002443100000000, 0.0014711900000000 ] - [ -0.0000111300000000, -0.0000014200000000, -0.0004867400000000 ] - [ 0.0000198900000000, -0.0000006400000000, -0.0004759000000000 ] - [ -0.0000639700000000, -0.0001477800000000, -0.0006732800000000 ] - [ 0.0000047800000000, -0.0001490400000000, -0.0006734400000000 ] - [ -0.0000838500000000, -0.0000496600000000, -0.0016413700000000 ] - [ -0.0000562200000000, -0.0000910300000000, -0.0018375100000000 ] - [ -0.0014206200000000, -0.0015850700000000, 0.0051007100000000 ] - [ 0.0007791300000000, -0.0047480500000000, 0.0114784500000000 ] - [ 0.0059263100000000, -0.0100643300000000, 0.0083934100000000 ] - [ -0.0078002300000000, -0.0016446200000000, 0.0034026700000000 ] - [ 0.0000657500000000, 0.0001763900000000, -0.0020139200000000 ] - [ -0.0000660100000000, 0.0000188900000000, -0.0016072900000000 ] - [ 0.0007966400000000, 0.0028507800000000, -0.0027164100000000 ] - [ -0.0003139500000000, 0.0004052900000000, -0.0010788700000000 ] - [ 0.0000807300000000, -0.0000020200000000, -0.0015536100000000 ] - [ -0.0004229900000000, -0.0000080000000000, -0.0014139100000000 ] - [ -0.0005109800000000, 0.0000252100000000, 0.0005841700000000 ] - [ 0.0034910100000000, 0.0097748500000000, -0.0077372400000000 ] - [ -0.0004955500000000, -0.0001858500000000, -0.0019266300000000 ] - [ 0.0007268400000000, -0.0002128000000000, -0.0017471200000000 ] - [ -0.0005214800000000, 0.0002721100000000, -0.0008279000000000 ] - [ 0.0003249400000000, 0.0002765300000000, -0.0008808400000000 ] - [ -0.0000865100000000, -0.0002539200000000, 0.0005213900000000 ] - [ 0.0000505400000000, -0.0020609300000000, -0.0010303500000000 ] - [ 0.0002897100000000, 0.0001146100000000, -0.0005277400000000 ] - [ -0.0000063600000000, 0.0001225500000000, -0.0005233500000000 ] - [ 0.0000328700000000, -0.0011913500000000, -0.0021262300000000 ] - [ 0.0001977900000000, -0.0002531200000000, -0.0005481200000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0023310500000000, 0.0004801900000000, 0.0009134600000000 ] - [ -0.0060729100000000, -0.0003481700000000, -0.0023037300000000 ] - [ 0.0000439100000000, 0.0002857500000000, -0.0006682300000000 ] - [ -0.0002889000000000, -0.0002304500000000, 0.0005010500000000 ] - [ -0.0018430000000000, 0.0013685900000000, 0.0014128200000000 ] - [ 0.0013142000000000, -0.0000304200000000, -0.0007407500000000 ] - [ 0.0001896300000000, 0.0002563500000000, 0.0004921700000000 ] - [ 0.0000783300000000, -0.0001068700000000, -0.0000336900000000 ] - [ 0.0027233100000000, -0.0006504800000000, 0.0008298500000000 ] - [ -0.0069231000000000, 0.0010534100000000, 0.0003524400000000 ] - [ 0.0002972800000000, -0.0000827100000000, -0.0005293800000000 ] - [ 0.0000073600000000, 0.0000454200000000, -0.0000681900000000 ] - [ -0.0061421800000000, -0.0028104400000000, 0.0030838700000000 ] - [ 0.0018512600000000, 0.0003397900000000, -0.0017785400000000 ] - [ -0.0000869000000000, -0.0000421800000000, 0.0004236500000000 ] - [ -0.0001897000000000, -0.0000131100000000, 0.0003901600000000 ] - [ -0.0031313900000000, 0.0002079200000000, 0.0000048100000000 ] - [ 0.0027056300000000, 0.0000231100000000, -0.0001717500000000 ] - [ -0.0004349000000000, -0.0001104200000000, 0.0000149300000000 ] - [ -0.0010073600000000, -0.0000765500000000, 0.0001588600000000 ] - [ -0.0004865200000000, 0.0000274500000000, 0.0020152100000000 ] - [ -0.0007775100000000, -0.0000522500000000, -0.0006012200000000 ] - [ -0.0009748000000000, 0.0000330700000000, -0.0002397400000000 ] - [ 0.0029905500000000, -0.0003276600000000, 0.0000989700000000 ] - [ -0.0010619900000000, -0.0004958800000000, -0.0023132800000000 ] - [ 0.0001848100000000, -0.0004607200000000, 0.0006232000000000 ] - [ -0.0009350300000000, 0.0003961400000000, 0.0007320800000000 ] - [ -0.0001222800000000, 0.0002948000000000, 0.0004493000000000 ] - [ -0.0000243200000000, -0.0005968000000000, 0.0025289500000000 ] - [ 0.0000891900000000, -0.0002984100000000, -0.0022265300000000 ] - [ 0.0030302900000000, 0.0000754100000000, 0.0017085100000000 ] - [ -0.0015994700000000, 0.0002338200000000, -0.0018341900000000 ] - [ -0.0013075500000000, 0.0005189700000000, -0.0016751700000000 ] - [ 0.0006102300000000, 0.0011183100000000, 0.0019383700000000 ] - [ -0.0000655200000000, -0.0006877000000000, -0.0002974200000000 ] - [ 0.0003261400000000, -0.0008850200000000, -0.0004223000000000 ] - [ -0.0016871900000000, 0.0004743700000000, 0.0000882400000000 ] - [ 0.0007445200000000, 0.0020327800000000, -0.0016817900000000 ] - [ 0.0003671100000000, -0.0006454700000000, 0.0010071300000000 ] - [ -0.0007772700000000, -0.0010739500000000, -0.0001709500000000 ] - [ -0.0019963100000000, -0.0004545500000000, -0.0021924700000000 ] - [ 0.0002240100000000, -0.0014961400000000, 0.0027083800000000 ] - [ -0.0004680100000000, 0.0006352700000000, -0.0002675000000000 ] - [ -0.0000144200000000, 0.0008842800000000, -0.0003714900000000 ] - [ -0.0012649400000000, -0.0002062400000000, 0.0004574000000000 ] - [ 0.0006831400000000, -0.0036552600000000, -0.0027747900000000 ] - [ 0.0006266000000000, 0.0007928900000000, 0.0008766000000000 ] - [ -0.0002014800000000, 0.0007901400000000, -0.0000950900000000 ] - [ 0.0001498700000000, -0.0000425800000000, -0.0003224700000000 ] - [ 0.0001582500000000, -0.0000896800000000, -0.0001497800000000 ] - [ -0.0021449600000000, -0.0006266300000000, 0.0005532300000000 ] - [ 0.0047234200000000, 0.0015137400000000, 0.0004592100000000 ] - [ -0.0002653400000000, -0.0000549600000000, 0.0003157700000000 ] - [ -0.0000588100000000, -0.0001451900000000, -0.0000838700000000 ] - [ 0.1142484300000000, -0.0704202000000000, -0.0410972500000000 ] - [ -0.0088737500000000, 0.0012778300000000, 0.0002142500000000 ] - [ 0.1143401100000000, 0.0695121500000000, -0.0372303500000000 ] - [ -0.0086195100000000, -0.0014574500000000, 0.0002774400000000 ] - [ 0.0000091500000000, 0.0001486500000000, 0.0002186200000000 ] - [ 0.0001996800000000, 0.0001700700000000, -0.0000016800000000 ] - [ -0.0023671200000000, 0.0004449900000000, 0.0004931600000000 ] - [ 0.0049996800000000, -0.0016199300000000, 0.0005994100000000 ] - [ -0.0001244000000000, 0.0001521600000000, -0.0002282000000000 ] - [ -0.0001046800000000, 0.0001266700000000, -0.0001819800000000 ] - [ -0.0152080500000000, -0.0002872900000000, 0.0000908900000000 ] - [ 0.3885968900000000, 0.0018115900000000, -0.0117341900000000 ] - [ 0.0006029300000000, 0.0001392400000000, 0.0002823800000000 ] - [ 0.0005642300000000, 0.0001161000000000, 0.0001450600000000 ] - [ 0.0047627600000000, -0.0002247200000000, -0.0016230700000000 ] - [ -0.0047663000000000, -0.0000509900000000, 0.0011965900000000 ] - [ -0.0007331400000000, 0.0001388900000000, -0.0002867600000000 ] - [ -0.0004489900000000, 0.0001219900000000, -0.0002807700000000 ] - [ 0.1276419400000000, -0.0011191000000000, 0.0990435000000000 ] - [ -0.0093107900000000, -0.0004485400000000, -0.0014270900000000 ] - [ 0.0001650800000000, 0.0003013400000000, -0.0001511000000000 ] - [ 0.0002698800000000, 0.0002884600000000, -0.0003846600000000 ] - [ -0.0027120100000000, -0.0002015000000000, -0.0008516900000000 ] - [ 0.0052838500000000, -0.0005324900000000, -0.0005843000000000 ] - [ -0.0002353500000000, 0.0003037800000000, 0.0001777800000000 ] - [ -0.0001498000000000, 0.0002735800000000, 0.0000623800000000 ] - [ 0.0000901800000000, 0.0000751400000000, 0.0001440000000000 ] - [ -0.0001289000000000, 0.0000903100000000, 0.0001164400000000 ] - [ -0.0001119000000000, 0.0000494200000000, -0.0001251000000000 ] - [ 0.0001394100000000, 0.0000827500000000, 0.0000070600000000 ] - [ 0.0082085400000000, -0.0076687800000000, 0.0008114600000000 ] - [ 0.0060331500000000, 0.0133840200000000, -0.0013354900000000 ] - [ 0.0093453300000000, 0.0080570100000000, 0.0058209700000000 ] - [ 0.0078782200000000, -0.0103751000000000, -0.0079058300000000 ] - [ -0.7627165200000000, -0.0013393600000000, -0.0111655900000000 ] - [ 0.0264494700000000, 0.0003147000000000, 0.0004540700000000 ] - [ 0.0002251300000000, -0.0000644900000000, 0.0001568700000000 ] - [ -0.0001572700000000, 0.0000484900000000, 0.0001164200000000 ] - [ -0.0000220100000000, -0.0000590300000000, -0.0001493900000000 ] - [ -0.0000246900000000, 0.0000733800000000, 0.0003723800000000 ] - [ 0.0071208200000000, 0.0000084500000000, -0.0002661600000000 ] - [ -0.0111318400000000, 0.0001398800000000, 0.0028769800000000 ] - [ 0.0023146100000000, 0.0002163300000000, 0.0014916200000000 ] - [ -0.0028023500000000, 0.0000058100000000, -0.0021835300000000 ] - [ 0.0027013500000000, -0.0001386400000000, -0.0030120800000000 ] - [ 0.0029899600000000, 0.0007695600000000, 0.0039038900000000 ] - [ -0.0003999900000000, 0.0000102600000000, 0.0004945800000000 ] - [ 0.0007031400000000, 0.0000556500000000, 0.0000168600000000 ] - [ 0.0044345100000000, -0.0003731300000000, 0.0033287000000000 ] - [ -0.0033344000000000, 0.0007123700000000, -0.0043937800000000 ] - [ 0.0002721000000000, 0.0000310600000000, 0.0002204600000000 ] - [ -0.0003112600000000, 0.0002144200000000, -0.0008738100000000 ] - [ -0.0005364500000000, -0.0001494100000000, 0.0003057600000000 ] - [ 0.0002867000000000, -0.0001788400000000, 0.0001724700000000 ] - [ 0.0063583900000000, 0.0003431100000000, -0.0073798300000000 ] - [ 0.0038280900000000, -0.0000984900000000, 0.0105083700000000 ] - [ 0.0009341400000000, -0.0001857100000000, 0.0000129100000000 ] - [ -0.0007624000000000, -0.0001014600000000, -0.0004043600000000 ]- atom: 89 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0025986400000000, -0.0005370500000000, -0.0005685900000000 ] - [ 0.0058305800000000, 0.0002972000000000, 0.0026603700000000 ] - [ -0.0003010200000000, -0.0002208900000000, 0.0003376100000000 ] - [ 0.0000255200000000, 0.0002958300000000, -0.0008353900000000 ] - [ 0.0021096300000000, -0.0014239100000000, -0.0017271300000000 ] - [ -0.0010572700000000, -0.0000353200000000, 0.0003997700000000 ] - [ 0.0000714300000000, -0.0001905100000000, -0.0001598300000000 ] - [ 0.0001816000000000, 0.0001741500000000, 0.0003674900000000 ] - [ -0.0024540100000000, 0.0006824000000000, -0.0000756600000000 ] - [ 0.0072198000000000, -0.0010476800000000, 0.0004032900000000 ] - [ -0.0000146000000000, 0.0000387700000000, -0.0002158000000000 ] - [ 0.0002698600000000, -0.0000893400000000, -0.0006778000000000 ] - [ 0.0058931200000000, 0.0028668300000000, -0.0038492800000000 ] - [ -0.0021334600000000, -0.0002935600000000, 0.0010178000000000 ] - [ -0.0001923100000000, 0.0000009300000000, 0.0003215500000000 ] - [ -0.0000897100000000, -0.0000288100000000, 0.0003554200000000 ] - [ 0.0016696900000000, -0.0000378100000000, -0.0001698300000000 ] - [ -0.0041429100000000, 0.0001475000000000, -0.0000238200000000 ] - [ -0.0010205300000000, -0.0000579300000000, 0.0001584400000000 ] - [ -0.0004446600000000, -0.0000924500000000, 0.0000158500000000 ] - [ 0.0019047900000000, 0.0001404900000000, -0.0018292400000000 ] - [ 0.0022550500000000, 0.0002212400000000, 0.0007688400000000 ] - [ 0.0024255300000000, -0.0002023500000000, 0.0000595100000000 ] - [ -0.0015283100000000, 0.0001578500000000, -0.0002661200000000 ] - [ -0.0000129700000000, -0.0002795200000000, 0.0012222800000000 ] - [ -0.0012501100000000, -0.0003167600000000, -0.0017249200000000 ] - [ -0.0001361500000000, 0.0003807200000000, 0.0003695400000000 ] - [ -0.0009523900000000, 0.0004809200000000, 0.0006392900000000 ] - [ 0.0010856700000000, -0.0001791000000000, -0.0014416700000000 ] - [ 0.0009896000000000, -0.0004788200000000, 0.0033341000000000 ] - [ -0.0019636700000000, 0.0007020200000000, -0.0027925700000000 ] - [ 0.0026771400000000, 0.0005422800000000, 0.0007217200000000 ] - [ 0.0015486600000000, 0.0010686700000000, 0.0023798400000000 ] - [ -0.0003460400000000, 0.0004735900000000, -0.0012327700000000 ] - [ 0.0003180800000000, -0.0009012500000000, -0.0004043000000000 ] - [ -0.0000743300000000, -0.0007028500000000, -0.0002814400000000 ] - [ 0.0014211800000000, 0.0011299500000000, -0.0008049700000000 ] - [ -0.0009829700000000, -0.0004466400000000, 0.0009843000000000 ] - [ -0.0006232800000000, -0.0009463300000000, -0.0002978900000000 ] - [ 0.0005310900000000, -0.0005099800000000, 0.0008691800000000 ] - [ 0.0015239800000000, -0.0011258300000000, 0.0028320700000000 ] - [ -0.0006679300000000, -0.0000867700000000, -0.0020704200000000 ] - [ 0.0000122600000000, 0.0009432400000000, -0.0003653600000000 ] - [ -0.0004446400000000, 0.0006896200000000, -0.0002606000000000 ] - [ 0.0017069300000000, -0.0014007700000000, -0.0011159300000000 ] - [ -0.0002124100000000, 0.0020685500000000, 0.0021393500000000 ] - [ -0.0001736000000000, 0.0007891400000000, -0.0002333300000000 ] - [ 0.0006614500000000, 0.0007865100000000, 0.0007257300000000 ] - [ 0.0001728700000000, -0.0001323800000000, -0.0000181200000000 ] - [ 0.0001644100000000, -0.0000812500000000, -0.0001934300000000 ] - [ 0.0024770100000000, 0.0008102400000000, -0.0002068100000000 ] - [ -0.0043963600000000, -0.0013460500000000, -0.0001301600000000 ] - [ -0.0000575400000000, -0.0001150700000000, 0.0000272600000000 ] - [ -0.0002628000000000, -0.0000265100000000, 0.0004266300000000 ] - [ -0.1140524900000000, 0.0719006800000000, 0.0415471400000000 ] - [ 0.0085891100000000, -0.0011255000000000, -0.0005714800000000 ] - [ -0.1136248400000000, -0.0710985800000000, 0.0376508600000000 ] - [ 0.0088717000000000, 0.0011863800000000, -0.0006029500000000 ] - [ 0.0002078100000000, 0.0001384800000000, 0.0000973900000000 ] - [ 0.0000201400000000, 0.0001158500000000, 0.0003192600000000 ] - [ 0.0021564800000000, -0.0007426300000000, -0.0001706800000000 ] - [ -0.0052101800000000, 0.0013327800000000, -0.0002987600000000 ] - [ -0.0000916600000000, 0.0001411800000000, -0.0000848600000000 ] - [ -0.0001125200000000, 0.0001611700000000, -0.0001342600000000 ] - [ 0.0165541500000000, 0.0000310900000000, -0.0005879500000000 ] - [ -0.3594068500000000, -0.0018781700000000, 0.0102501300000000 ] - [ 0.0005761600000000, 0.0001176500000000, 0.0002084100000000 ] - [ 0.0006187300000000, 0.0001413400000000, 0.0003449900000000 ] - [ -0.0059763500000000, -0.0000307600000000, 0.0021120100000000 ] - [ 0.0035976000000000, -0.0002064400000000, -0.0007036000000000 ] - [ -0.0004495300000000, 0.0001174200000000, -0.0002039100000000 ] - [ -0.0007303200000000, 0.0001348200000000, -0.0002093000000000 ] - [ -0.1271310600000000, 0.0006139300000000, -0.1015711000000000 ] - [ 0.0097594000000000, -0.0001354200000000, 0.0018355200000000 ] - [ 0.0002466300000000, 0.0002819000000000, -0.0002427200000000 ] - [ 0.0001411500000000, 0.0002955800000000, -0.0000046000000000 ] - [ 0.0023101000000000, -0.0003812100000000, 0.0004738400000000 ] - [ -0.0056877700000000, -0.0000535200000000, 0.0001872600000000 ] - [ -0.0001749700000000, 0.0002788100000000, 0.0002074900000000 ] - [ -0.0002595700000000, 0.0003100300000000, 0.0003256400000000 ] - [ -0.0001242800000000, 0.0000709900000000, 0.0000449000000000 ] - [ 0.0000953300000000, 0.0000558400000000, 0.0000730300000000 ] - [ 0.0001465300000000, 0.0000962700000000, -0.0000645400000000 ] - [ -0.0001050600000000, 0.0000637000000000, -0.0001932100000000 ] - [ -0.0082106900000000, 0.0076328700000000, -0.0006460900000000 ] - [ -0.0059557300000000, -0.0134317100000000, 0.0015129300000000 ] - [ -0.0094208700000000, -0.0083273400000000, -0.0060989000000000 ] - [ -0.0078618100000000, 0.0101609400000000, 0.0076608300000000 ] - [ 0.7333083000000000, 0.0010361200000000, 0.0135780300000000 ] - [ -0.0267040100000000, -0.0003259700000000, -0.0004313200000000 ] - [ -0.0001568900000000, 0.0000759000000000, -0.0001409700000000 ] - [ 0.0002239200000000, -0.0000371900000000, -0.0000990000000000 ] - [ -0.0000429700000000, 0.0000709100000000, 0.0001352600000000 ] - [ -0.0000453400000000, -0.0000615300000000, -0.0003894500000000 ] - [ -0.0070775800000000, -0.0000193900000000, 0.0002384900000000 ] - [ 0.0112336500000000, -0.0001487500000000, -0.0028638100000000 ] - [ -0.0026138100000000, -0.0001769100000000, -0.0020322700000000 ] - [ 0.0025085500000000, 0.0000375100000000, 0.0016061400000000 ] - [ -0.0029222300000000, 0.0001060100000000, 0.0035922300000000 ] - [ -0.0033077500000000, -0.0008013200000000, -0.0033444500000000 ] - [ 0.0006973700000000, 0.0000321600000000, 0.0000693600000000 ] - [ -0.0004120500000000, -0.0000144000000000, 0.0005377500000000 ] - [ -0.0041260000000000, 0.0003339400000000, -0.0039009400000000 ] - [ 0.0035941900000000, -0.0007494600000000, 0.0038431200000000 ] - [ -0.0005079000000000, 0.0002637800000000, -0.0005498300000000 ] - [ 0.0000634800000000, 0.0000797100000000, 0.0005477200000000 ] - [ 0.0002960300000000, -0.0001454600000000, 0.0000228100000000 ] - [ -0.0005300700000000, -0.0001157400000000, 0.0001538500000000 ] - [ -0.0061265700000000, -0.0000508000000000, 0.0077994100000000 ] - [ -0.0035809700000000, 0.0003881800000000, -0.0101351100000000 ] - [ -0.0006945300000000, -0.0001090300000000, -0.0003381700000000 ] - [ 0.0010064000000000, -0.0001918400000000, 0.0000743300000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007405700000000, -0.0001435000000000, 0.0002580800000000 ] - [ 0.0038622400000000, 0.0115353100000000, 0.0144853700000000 ] - [ -0.0004185400000000, 0.0001251900000000, -0.0000269400000000 ] - [ 0.0000934100000000, 0.0002700200000000, -0.0001074600000000 ] - [ 0.0004150000000000, -0.0005650900000000, 0.0003916300000000 ] - [ 0.0001482200000000, -0.0000719300000000, -0.0000058100000000 ] - [ 0.0001278500000000, 0.0000191200000000, 0.0002405800000000 ] - [ 0.0001185200000000, 0.0000223600000000, 0.0002414100000000 ] - [ 0.0009073400000000, 0.0006368000000000, 0.0002042000000000 ] - [ -0.0049670100000000, 0.0209535000000000, -0.0067458400000000 ] - [ -0.0000459300000000, -0.0000734700000000, -0.0003404800000000 ] - [ 0.0003153700000000, -0.0001826300000000, -0.0002858400000000 ] - [ -0.0008694200000000, -0.0000679200000000, -0.0042570000000000 ] - [ -0.0001807600000000, -0.0000791700000000, -0.0003842300000000 ] - [ -0.0001422100000000, -0.0000031400000000, 0.0004432600000000 ] - [ -0.0001449900000000, -0.0000078800000000, 0.0004438600000000 ] - [ -0.0006913400000000, 0.0001377200000000, -0.0001657200000000 ] - [ -0.0009109600000000, 0.0003592800000000, -0.0000087300000000 ] - [ -0.0007880000000000, -0.0000962200000000, -0.0000243100000000 ] - [ -0.0007562400000000, -0.0000927600000000, 0.0000135600000000 ] - [ 0.0001477100000000, -0.0073898400000000, 0.0004772200000000 ] - [ 0.0007334000000000, -0.0022159400000000, -0.0000087600000000 ] - [ 0.0008243800000000, 0.0000140400000000, 0.0000789200000000 ] - [ -0.0005468100000000, 0.0002492500000000, -0.0014311400000000 ] - [ -0.0005531600000000, -0.0004554900000000, -0.0006662300000000 ] - [ -0.0005844900000000, -0.0003151400000000, -0.0006581600000000 ] - [ -0.0005430100000000, 0.0003605300000000, 0.0003988100000000 ] - [ -0.0005562900000000, 0.0003098200000000, 0.0002488300000000 ] - [ 0.0003273200000000, -0.0020657700000000, 0.0004568000000000 ] - [ 0.0006054900000000, -0.0026018300000000, 0.0007636900000000 ] - [ 0.0000695300000000, 0.0035250400000000, -0.0059865300000000 ] - [ 0.0004761600000000, 0.0006429400000000, -0.0003465600000000 ] - [ 0.0000733800000000, 0.0009359100000000, 0.0000377700000000 ] - [ 0.0000837600000000, 0.0009689500000000, 0.0003834400000000 ] - [ 0.0001435600000000, -0.0008271500000000, -0.0004222500000000 ] - [ 0.0001622000000000, -0.0008621700000000, -0.0004537000000000 ] - [ -0.0006688500000000, -0.0046683300000000, 0.0018805600000000 ] - [ 0.0038341000000000, -0.0050295500000000, 0.0019626100000000 ] - [ 0.0006200800000000, 0.0008974600000000, -0.0007411100000000 ] - [ -0.0001564300000000, -0.0007107500000000, 0.0004264200000000 ] - [ 0.0002419500000000, -0.0002912900000000, 0.0007378800000000 ] - [ -0.0002367800000000, -0.0005026700000000, 0.0000536000000000 ] - [ -0.0002104300000000, 0.0008247700000000, -0.0004004100000000 ] - [ -0.0002021500000000, 0.0008391400000000, -0.0004368000000000 ] - [ 0.0015490500000000, -0.0068352000000000, -0.0042798200000000 ] - [ -0.0037254600000000, -0.0064412200000000, -0.0030341400000000 ] - [ 0.0004994600000000, 0.0003219100000000, -0.0008775200000000 ] - [ 0.0001579600000000, 0.0008445200000000, 0.0004118400000000 ] - [ 0.0001557500000000, -0.0000319200000000, -0.0002888800000000 ] - [ 0.0001397800000000, -0.0000333300000000, -0.0002685800000000 ] - [ -0.0004381400000000, -0.0007044500000000, 0.0001316100000000 ] - [ -0.0003224800000000, -0.0049354000000000, -0.0007543600000000 ] - [ -0.0001107900000000, -0.0001450200000000, 0.0001140700000000 ] - [ -0.0002143600000000, -0.0001946700000000, 0.0001002600000000 ] - [ -0.0745293700000000, 0.2631781100000000, 0.1154849800000000 ] - [ -0.0002963800000000, 0.0009296100000000, 0.0004499600000000 ] - [ 0.0687044800000000, 0.2624313400000000, -0.0989824600000000 ] - [ 0.0001205200000000, 0.0006731800000000, -0.0006846200000000 ] - [ 0.0001533000000000, 0.0001366600000000, 0.0001593900000000 ] - [ 0.0000950800000000, 0.0001729700000000, 0.0001434200000000 ] - [ 0.0004424100000000, -0.0009694700000000, 0.0001679700000000 ] - [ 0.0005324600000000, -0.0063817600000000, 0.0002340200000000 ] - [ -0.0001094800000000, 0.0001042700000000, -0.0002597400000000 ] - [ -0.0001308200000000, 0.0001003100000000, -0.0002424400000000 ] - [ 0.0004547500000000, 0.0032267300000000, -0.0002200000000000 ] - [ 0.0012369600000000, 0.0872926500000000, 0.0002013200000000 ] - [ 0.0006225800000000, 0.0001016200000000, 0.0002141800000000 ] - [ 0.0005290200000000, 0.0001144600000000, 0.0002141600000000 ] - [ -0.0005585900000000, -0.0061941900000000, -0.0002118500000000 ] - [ -0.0005711900000000, -0.0005224500000000, 0.0002210800000000 ] - [ -0.0005480400000000, 0.0001321400000000, -0.0003130300000000 ] - [ -0.0006231200000000, 0.0001365100000000, -0.0003291900000000 ] - [ -0.0012929700000000, 0.0838910400000000, -0.0084738900000000 ] - [ 0.0001759300000000, -0.0003971500000000, 0.0001624800000000 ] - [ 0.0002293100000000, 0.0002840100000000, -0.0002915400000000 ] - [ 0.0002099600000000, 0.0002830700000000, -0.0003031900000000 ] - [ -0.0002402900000000, -0.0016222400000000, -0.0002953600000000 ] - [ 0.0003051600000000, -0.0113585600000000, -0.0019437700000000 ] - [ -0.0001164100000000, 0.0002990900000000, -0.0000071100000000 ] - [ -0.0002298200000000, 0.0002897000000000, 0.0000506200000000 ] - [ -0.0000154300000000, 0.0000681600000000, 0.0001384300000000 ] - [ -0.0000123700000000, 0.0000517100000000, 0.0001786500000000 ] - [ 0.0000250600000000, 0.0001231200000000, 0.0000832700000000 ] - [ 0.0000185800000000, 0.0000739200000000, -0.0000739400000000 ] - [ -0.0109185300000000, 0.0064010600000000, -0.0046321200000000 ] - [ 0.0069475400000000, 0.0022844100000000, -0.0014901700000000 ] - [ 0.0096262500000000, 0.0017594200000000, 0.0099422300000000 ] - [ -0.0041538200000000, 0.0001197100000000, 0.0015370000000000 ] - [ 0.0057739800000000, -0.7132873400000000, -0.0098231100000000 ] - [ 0.0002892600000000, -0.0001015500000000, -0.0000321500000000 ] - [ -0.0000326000000000, -0.0000045900000000, 0.0003007100000000 ] - [ 0.0000806400000000, -0.0000033000000000, 0.0002417400000000 ] - [ -0.0001048900000000, 0.0000801700000000, 0.0001227400000000 ] - [ 0.0000272200000000, 0.0000807900000000, 0.0001476600000000 ] - [ 0.0000326200000000, 0.0016921400000000, 0.0000560800000000 ] - [ -0.0001273600000000, 0.0173122200000000, 0.0022534300000000 ] - [ -0.0001114400000000, -0.0001021400000000, -0.0005909800000000 ] - [ -0.0002141500000000, -0.0013331700000000, 0.0035380100000000 ] - [ 0.0011690100000000, 0.0126469200000000, 0.0014787600000000 ] - [ -0.0007334100000000, 0.0112643600000000, 0.0010688900000000 ] - [ 0.0001409000000000, 0.0000556000000000, 0.0006136800000000 ] - [ 0.0001430600000000, 0.0000302900000000, 0.0004989800000000 ] - [ 0.0000866600000000, 0.0001368600000000, -0.0001825100000000 ] - [ 0.0003531600000000, -0.0005852800000000, -0.0000046400000000 ] - [ -0.0001034700000000, 0.0003258600000000, -0.0000702700000000 ] - [ -0.0001360100000000, 0.0004100300000000, -0.0001020100000000 ] - [ -0.0001195500000000, -0.0001568800000000, 0.0002258000000000 ] - [ -0.0001153200000000, -0.0001534700000000, 0.0002318500000000 ] - [ 0.0009461000000000, -0.0090016900000000, -0.0011771200000000 ] - [ -0.0006955300000000, -0.0029353500000000, -0.0004987300000000 ] - [ 0.0001257500000000, -0.0000606600000000, -0.0003139600000000 ] - [ 0.0001353000000000, 0.0003242500000000, -0.0007905700000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004864800000000, 0.0000735800000000, 0.0000836000000000 ] - [ -0.0041486200000000, -0.0115594700000000, -0.0140096400000000 ] - [ 0.0001605600000000, -0.0000639300000000, -0.0003152700000000 ] - [ -0.0003549600000000, -0.0002108100000000, -0.0002293900000000 ] - [ -0.0001576800000000, 0.0005191400000000, -0.0007417900000000 ] - [ 0.0001130200000000, 0.0000096900000000, -0.0003315400000000 ] - [ 0.0001315800000000, 0.0000453700000000, 0.0000950300000000 ] - [ 0.0001426300000000, 0.0000430000000000, 0.0000918800000000 ] - [ -0.0006240500000000, -0.0005864600000000, 0.0005534900000000 ] - [ 0.0052362700000000, -0.0210283700000000, 0.0076507400000000 ] - [ 0.0003274000000000, 0.0000312200000000, -0.0004168100000000 ] - [ -0.0000366300000000, 0.0001406100000000, -0.0004686000000000 ] - [ 0.0006168700000000, 0.0000769800000000, 0.0034726900000000 ] - [ -0.0000942900000000, 0.0001163700000000, -0.0003586800000000 ] - [ -0.0001385000000000, -0.0000386300000000, 0.0002974700000000 ] - [ -0.0001336300000000, -0.0000337800000000, 0.0002983900000000 ] - [ -0.0007630900000000, 0.0000326000000000, -0.0000041600000000 ] - [ -0.0005491800000000, -0.0001873200000000, -0.0001655600000000 ] - [ -0.0006661800000000, -0.0000730900000000, 0.0002020200000000 ] - [ -0.0007047500000000, -0.0000778700000000, 0.0001606900000000 ] - [ 0.0013476800000000, 0.0075558100000000, -0.0003319200000000 ] - [ 0.0007172100000000, 0.0023849300000000, 0.0001721800000000 ] - [ 0.0006244500000000, -0.0001822800000000, -0.0002407300000000 ] - [ 0.0020244500000000, -0.0004198900000000, 0.0012771200000000 ] - [ -0.0005169100000000, -0.0003198200000000, -0.0004305000000000 ] - [ -0.0004852500000000, -0.0004605400000000, -0.0004418400000000 ] - [ -0.0005284400000000, 0.0004156600000000, 0.0007167600000000 ] - [ -0.0005139600000000, 0.0004668900000000, 0.0008723100000000 ] - [ 0.0007528600000000, 0.0012911600000000, 0.0006523800000000 ] - [ 0.0004646100000000, 0.0018272900000000, 0.0003292900000000 ] - [ 0.0010098400000000, -0.0027340100000000, 0.0048802000000000 ] - [ 0.0005893400000000, 0.0001376200000000, -0.0007525600000000 ] - [ 0.0001849100000000, 0.0006651800000000, 0.0006700400000000 ] - [ 0.0001711700000000, 0.0006288200000000, 0.0003256600000000 ] - [ 0.0001111100000000, -0.0007660800000000, -0.0002811200000000 ] - [ 0.0000909400000000, -0.0007276600000000, -0.0002462400000000 ] - [ 0.0004124500000000, 0.0062551200000000, -0.0025917600000000 ] - [ -0.0041079300000000, 0.0066326000000000, -0.0026962700000000 ] - [ -0.0008760800000000, -0.0024934100000000, 0.0014618200000000 ] - [ -0.0000997800000000, -0.0008842900000000, 0.0002853600000000 ] - [ -0.0006921400000000, -0.0013037600000000, -0.0000947200000000 ] - [ -0.0002177800000000, -0.0010877600000000, 0.0005904000000000 ] - [ -0.0002440200000000, 0.0007577500000000, -0.0002357300000000 ] - [ -0.0002565500000000, 0.0007352200000000, -0.0001916300000000 ] - [ -0.0011041600000000, 0.0052577700000000, 0.0036288400000000 ] - [ 0.0041570000000000, 0.0048396600000000, 0.0023606900000000 ] - [ -0.0000497300000000, 0.0012720600000000, 0.0015364000000000 ] - [ 0.0002910600000000, 0.0007471900000000, 0.0002369600000000 ] - [ 0.0001666800000000, -0.0001400600000000, -0.0000506400000000 ] - [ 0.0001811500000000, -0.0001339200000000, -0.0000740000000000 ] - [ 0.0007616900000000, 0.0008740900000000, 0.0002108800000000 ] - [ 0.0006388400000000, 0.0050912200000000, 0.0011465200000000 ] - [ -0.0002092200000000, -0.0000147500000000, 0.0002432100000000 ] - [ -0.0001049700000000, 0.0000323200000000, 0.0002532400000000 ] - [ 0.0681137200000000, -0.2505241100000000, -0.1064142500000000 ] - [ -0.0000311800000000, -0.0007560000000000, -0.0008048000000000 ] - [ -0.0749916800000000, -0.2767726800000000, 0.1078755800000000 ] - [ 0.0000927300000000, -0.0009621700000000, 0.0003555600000000 ] - [ 0.0000671300000000, 0.0001397900000000, 0.0001714200000000 ] - [ 0.0001275600000000, 0.0001026000000000, 0.0001867500000000 ] - [ -0.0006615800000000, 0.0006886800000000, 0.0001518000000000 ] - [ -0.0007557100000000, 0.0061025100000000, 0.0001304000000000 ] - [ -0.0001072300000000, 0.0001857300000000, -0.0000536200000000 ] - [ -0.0000885800000000, 0.0001830200000000, -0.0000751100000000 ] - [ 0.0007206000000000, -0.0034821200000000, -0.0002807400000000 ] - [ -0.0018760000000000, -0.0876032800000000, -0.0005227300000000 ] - [ 0.0005599800000000, 0.0001555100000000, 0.0002831300000000 ] - [ 0.0006544200000000, 0.0001431800000000, 0.0002817100000000 ] - [ -0.0006060900000000, 0.0059354100000000, 0.0007265900000000 ] - [ -0.0006358400000000, 0.0002646700000000, 0.0002694700000000 ] - [ -0.0006376500000000, 0.0001240700000000, -0.0001743600000000 ] - [ -0.0005597400000000, 0.0001202200000000, -0.0001577800000000 ] - [ 0.0023023600000000, -0.0846433500000000, 0.0106245000000000 ] - [ 0.0002285700000000, -0.0001844600000000, 0.0002124600000000 ] - [ 0.0001828000000000, 0.0002990700000000, -0.0001000500000000 ] - [ 0.0002004900000000, 0.0003008500000000, -0.0000853500000000 ] - [ -0.0001737500000000, 0.0010361700000000, -0.0001142700000000 ] - [ -0.0007239000000000, 0.0107806200000000, 0.0016075400000000 ] - [ -0.0002968800000000, 0.0002845400000000, 0.0004102200000000 ] - [ -0.0001839600000000, 0.0002947500000000, 0.0003555300000000 ] - [ -0.0000174100000000, 0.0000770600000000, 0.0000490700000000 ] - [ -0.0000215500000000, 0.0000940100000000, 0.0000068800000000 ] - [ 0.0000081900000000, 0.0000220100000000, -0.0002813800000000 ] - [ 0.0000157200000000, 0.0000716300000000, -0.0001223100000000 ] - [ 0.0108397700000000, -0.0065298500000000, 0.0048253400000000 ] - [ -0.0068276900000000, -0.0024114800000000, 0.0016808100000000 ] - [ -0.0097728300000000, -0.0018970300000000, -0.0101761400000000 ] - [ 0.0041654000000000, -0.0002510100000000, -0.0017524600000000 ] - [ 0.0081634700000000, 0.7150685000000000, -0.0108940100000000 ] - [ -0.0003494200000000, 0.0000903600000000, 0.0000684100000000 ] - [ 0.0001056200000000, 0.0000140900000000, -0.0003004400000000 ] - [ -0.0000071700000000, 0.0000131600000000, -0.0002388900000000 ] - [ 0.0000320400000000, -0.0000701300000000, -0.0001569400000000 ] - [ -0.0001006500000000, -0.0000696600000000, -0.0001803700000000 ] - [ 0.0000581800000000, -0.0017015700000000, -0.0000618400000000 ] - [ 0.0001593900000000, -0.0173122000000000, -0.0023723000000000 ] - [ -0.0001655600000000, 0.0001391900000000, 0.0000145500000000 ] - [ -0.0000837400000000, 0.0013692100000000, -0.0041233900000000 ] - [ -0.0014969900000000, -0.0126851000000000, -0.0009189600000000 ] - [ 0.0004691500000000, -0.0112961300000000, -0.0004737900000000 ] - [ 0.0001493600000000, -0.0000135100000000, -0.0000806500000000 ] - [ 0.0001495200000000, 0.0000118500000000, 0.0000466400000000 ] - [ 0.0001948300000000, -0.0001752800000000, -0.0003842200000000 ] - [ -0.0000684000000000, 0.0005456400000000, -0.0005638300000000 ] - [ -0.0001468500000000, -0.0000315400000000, -0.0002691300000000 ] - [ -0.0000939800000000, -0.0001158700000000, -0.0002401200000000 ] - [ -0.0001227500000000, -0.0001375300000000, 0.0000971400000000 ] - [ -0.0001270000000000, -0.0001403200000000, 0.0000917000000000 ] - [ -0.0007066400000000, 0.0092945900000000, 0.0015228300000000 ] - [ 0.0009221100000000, 0.0032309400000000, 0.0008328700000000 ] - [ 0.0001190300000000, -0.0002316700000000, -0.0000172100000000 ] - [ 0.0001025000000000, -0.0006145500000000, 0.0004573400000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0013083800000000, -0.0006488000000000, -0.0015320900000000 ] - [ 0.0022377800000000, 0.0086073100000000, 0.0083195300000000 ] - [ -0.0008141000000000, 0.0001478900000000, 0.0017143400000000 ] - [ 0.0002654100000000, 0.0004231800000000, 0.0013112200000000 ] - [ -0.0013107400000000, 0.0042464600000000, 0.0051568700000000 ] - [ 0.0005397600000000, 0.0010737800000000, -0.0006406600000000 ] - [ 0.0001897300000000, 0.0005138000000000, 0.0024137200000000 ] - [ -0.0000659600000000, 0.0003194300000000, 0.0020260000000000 ] - [ -0.0009259100000000, 0.0002785600000000, -0.0027306600000000 ] - [ 0.0040732500000000, -0.0085307100000000, 0.0008215200000000 ] - [ -0.0003667200000000, -0.0001146600000000, 0.0018089100000000 ] - [ 0.0005545100000000, -0.0003078300000000, 0.0015787200000000 ] - [ -0.0033220100000000, -0.0096351700000000, 0.0184470500000000 ] - [ 0.0007005300000000, -0.0004053900000000, -0.0023139200000000 ] - [ -0.0000478200000000, 0.0000240200000000, 0.0022981800000000 ] - [ -0.0002670600000000, 0.0000193200000000, 0.0022268800000000 ] - [ -0.0044934300000000, 0.0000783900000000, -0.0007736500000000 ] - [ 0.0066632200000000, -0.0004838400000000, -0.0058055200000000 ] - [ -0.0012451100000000, -0.0003024800000000, -0.0016381600000000 ] - [ -0.0011419900000000, -0.0002459600000000, -0.0012449000000000 ] - [ 0.0034771400000000, -0.0001749500000000, -0.0020638500000000 ] - [ -0.0016001800000000, -0.0000486600000000, 0.0008341500000000 ] - [ 0.0016400600000000, -0.0001655900000000, -0.0014710200000000 ] - [ -0.0020139100000000, 0.0002085900000000, -0.0032273300000000 ] - [ -0.0014473500000000, -0.0010595400000000, -0.0063734700000000 ] - [ 0.0016331900000000, -0.0010572200000000, -0.0042596100000000 ] - [ -0.0008161600000000, -0.0001090800000000, -0.0015853400000000 ] - [ -0.0004488200000000, -0.0004166400000000, -0.0028407900000000 ] - [ 0.0014261500000000, -0.0001840200000000, -0.0021342900000000 ] - [ -0.0002030700000000, -0.0003195500000000, -0.0008858300000000 ] - [ -0.0007389000000000, 0.0005608600000000, -0.0099584800000000 ] - [ 0.0012613100000000, 0.0003484700000000, -0.0019595900000000 ] - [ -0.0037107900000000, 0.0000342700000000, -0.0053113200000000 ] - [ 0.0022970300000000, 0.0016563700000000, 0.0002934100000000 ] - [ 0.0003329400000000, -0.0010630600000000, -0.0016656100000000 ] - [ 0.0006566800000000, -0.0012869500000000, -0.0020863300000000 ] - [ 0.0020825800000000, 0.0011625500000000, -0.0004282400000000 ] - [ -0.0025116400000000, 0.0021565300000000, -0.0008756500000000 ] - [ 0.0004998900000000, 0.0004913800000000, -0.0029771600000000 ] - [ 0.0002894200000000, -0.0003817900000000, -0.0006815100000000 ] - [ -0.0041719600000000, -0.0008656400000000, -0.0056355400000000 ] - [ 0.0021030200000000, -0.0019355600000000, 0.0004088700000000 ] - [ -0.0001832100000000, 0.0009521100000000, -0.0018850200000000 ] - [ 0.0001574400000000, 0.0012361400000000, -0.0023022400000000 ] - [ 0.0029144300000000, -0.0018172100000000, -0.0007826700000000 ] - [ -0.0026448700000000, -0.0021657100000000, -0.0005418900000000 ] - [ 0.0009731700000000, -0.0008740400000000, -0.0037596500000000 ] - [ 0.0006714200000000, 0.0002169900000000, -0.0009952400000000 ] - [ -0.0001457300000000, 0.0008598400000000, -0.0028140200000000 ] - [ -0.0001119900000000, 0.0007713800000000, -0.0025012500000000 ] - [ -0.0009922000000000, -0.0017210200000000, 0.0030121800000000 ] - [ 0.0006479900000000, -0.0065940400000000, 0.0059249600000000 ] - [ -0.0002553500000000, -0.0009340800000000, -0.0020545800000000 ] - [ -0.0006190100000000, -0.0010067700000000, -0.0020607200000000 ] - [ -0.0438609500000000, 0.1163402300000000, 0.1584997800000000 ] - [ -0.0007811700000000, 0.0020861900000000, 0.0033078400000000 ] - [ -0.0397260700000000, -0.1077247100000000, 0.1449466700000000 ] - [ -0.0004813300000000, -0.0019561000000000, 0.0030815900000000 ] - [ 0.0000303400000000, 0.0007693900000000, -0.0017775100000000 ] - [ -0.0002885400000000, 0.0008294800000000, -0.0018198400000000 ] - [ -0.0011291000000000, 0.0015859000000000, 0.0029611100000000 ] - [ 0.0010155200000000, 0.0091421300000000, 0.0058091800000000 ] - [ -0.0003962100000000, -0.0004553100000000, -0.0023588200000000 ] - [ -0.0003569300000000, -0.0004209400000000, -0.0021227600000000 ] - [ -0.0004894800000000, -0.0000656600000000, 0.0057190400000000 ] - [ -0.0097099100000000, 0.0002856000000000, 0.0883780700000000 ] - [ 0.0007631100000000, 0.0000419800000000, -0.0013815400000000 ] - [ 0.0004262900000000, 0.0000662700000000, -0.0012471600000000 ] - [ -0.0019559600000000, 0.0004130400000000, 0.0071294700000000 ] - [ -0.0004958200000000, -0.0001650600000000, 0.0028096900000000 ] - [ -0.0005479500000000, 0.0002148800000000, -0.0019123800000000 ] - [ -0.0005760300000000, 0.0002128600000000, -0.0019147200000000 ] - [ 0.0974416900000000, -0.0087554300000000, 0.3233885700000000 ] - [ 0.0009691300000000, -0.0005437700000000, 0.0053948400000000 ] - [ 0.0008606800000000, 0.0004278300000000, -0.0034556800000000 ] - [ 0.0008077800000000, 0.0004283300000000, -0.0034268100000000 ] - [ 0.0012799700000000, -0.0000320800000000, 0.0056649200000000 ] - [ -0.0003401100000000, 0.0012505700000000, 0.0148993400000000 ] - [ 0.0006035200000000, 0.0001737800000000, -0.0034682900000000 ] - [ 0.0003506000000000, 0.0001683600000000, -0.0030715500000000 ] - [ -0.0000561100000000, 0.0003009200000000, 0.0017468400000000 ] - [ -0.0000459600000000, 0.0002569900000000, 0.0019435600000000 ] - [ 0.0000162100000000, -0.0000480500000000, 0.0019138700000000 ] - [ -0.0000366100000000, -0.0001417500000000, 0.0015045800000000 ] - [ -0.0000772000000000, -0.0038455300000000, -0.0113769000000000 ] - [ 0.0001349700000000, -0.0009270800000000, -0.0049965700000000 ] - [ 0.0073929600000000, 0.0099868300000000, -0.0084446500000000 ] - [ -0.0038321200000000, 0.0015779900000000, -0.0034890900000000 ] - [ -0.0045432400000000, -0.0003209200000000, -0.7259746800000000 ] - [ 0.0004166100000000, -0.0000554000000000, -0.0070784500000000 ] - [ -0.0001154100000000, -0.0002957800000000, 0.0058909700000000 ] - [ -0.0000719100000000, -0.0002349700000000, 0.0052806300000000 ] - [ -0.0004181800000000, 0.0001687600000000, 0.0051851500000000 ] - [ 0.0001084900000000, 0.0001450800000000, 0.0051858200000000 ] - [ -0.0002102600000000, -0.0000677600000000, -0.0092265100000000 ] - [ 0.0028597600000000, -0.0023179000000000, -0.0287035300000000 ] - [ -0.0017318700000000, 0.0001511900000000, 0.0026032900000000 ] - [ 0.0016858300000000, -0.0007210700000000, 0.0121621100000000 ] - [ -0.0046895600000000, 0.0001230100000000, 0.0042958800000000 ] - [ 0.0036335600000000, -0.0000417200000000, 0.0017864300000000 ] - [ 0.0000196900000000, 0.0003545900000000, 0.0055820200000000 ] - [ 0.0003197100000000, 0.0003224000000000, 0.0039294300000000 ] - [ 0.0086323200000000, 0.0005220600000000, 0.0103719900000000 ] - [ -0.0102627300000000, 0.0010108700000000, 0.0037904200000000 ] - [ 0.0008789600000000, -0.0002659900000000, 0.0003635800000000 ] - [ -0.0010206700000000, -0.0000617200000000, 0.0003628100000000 ] - [ -0.0002687500000000, -0.0004157100000000, 0.0027490600000000 ] - [ 0.0001894600000000, -0.0004256400000000, 0.0022079500000000 ] - [ -0.0094744900000000, -0.0003046200000000, 0.0065329600000000 ] - [ 0.0063337400000000, 0.0000123100000000, 0.0009185700000000 ] - [ -0.0001010900000000, -0.0000607400000000, 0.0012609700000000 ] - [ 0.0005571100000000, -0.0002300900000000, 0.0018896900000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0010456200000000, 0.0005857400000000, 0.0018533700000000 ] - [ -0.0024717000000000, -0.0085440400000000, -0.0079672400000000 ] - [ 0.0005463600000000, -0.0000785600000000, -0.0020497400000000 ] - [ -0.0005219700000000, -0.0003526900000000, -0.0016459900000000 ] - [ 0.0015649300000000, -0.0043275700000000, -0.0055037000000000 ] - [ -0.0002724800000000, -0.0011391200000000, 0.0003130800000000 ] - [ 0.0000704200000000, -0.0004478700000000, -0.0020742700000000 ] - [ 0.0003267900000000, -0.0002560800000000, -0.0016892400000000 ] - [ 0.0012032200000000, -0.0002346700000000, 0.0034645800000000 ] - [ -0.0037873300000000, 0.0085009800000000, -0.0001194700000000 ] - [ 0.0006404700000000, 0.0000725200000000, -0.0025521800000000 ] - [ -0.0002708300000000, 0.0002630300000000, -0.0023221000000000 ] - [ 0.0030049300000000, 0.0097795200000000, -0.0193691100000000 ] - [ -0.0009655700000000, 0.0004475300000000, 0.0015756000000000 ] - [ -0.0002323600000000, -0.0000624300000000, -0.0015464700000000 ] - [ -0.0000111200000000, -0.0000580700000000, -0.0014752500000000 ] - [ 0.0030420500000000, 0.0000888600000000, 0.0005933400000000 ] - [ -0.0081608300000000, 0.0006572000000000, 0.0056655200000000 ] - [ -0.0002053500000000, 0.0001348900000000, 0.0018055400000000 ] - [ -0.0003167000000000, 0.0000774800000000, 0.0014110700000000 ] - [ -0.0020218400000000, 0.0003479100000000, 0.0022615100000000 ] - [ 0.0030442500000000, 0.0002174900000000, -0.0006556300000000 ] - [ -0.0001840000000000, -0.0000046900000000, 0.0012988800000000 ] - [ 0.0034485300000000, -0.0003752000000000, 0.0030380900000000 ] - [ 0.0003756500000000, 0.0002801100000000, 0.0052505200000000 ] - [ -0.0027159900000000, 0.0002812300000000, 0.0031542100000000 ] - [ -0.0002594300000000, 0.0008862000000000, 0.0026833600000000 ] - [ -0.0006228300000000, 0.0011956200000000, 0.0039353300000000 ] - [ -0.0003513600000000, -0.0005959300000000, 0.0032640200000000 ] - [ 0.0012724600000000, -0.0004601500000000, 0.0020121500000000 ] - [ 0.0017992500000000, 0.0002118200000000, 0.0087477600000000 ] - [ -0.0001839700000000, 0.0004244900000000, 0.0008583500000000 ] - [ 0.0039797000000000, 0.0015661300000000, 0.0060095600000000 ] - [ -0.0020519900000000, -0.0000627300000000, 0.0004112200000000 ] - [ -0.0000741100000000, -0.0005403000000000, 0.0009508800000000 ] - [ -0.0003977200000000, -0.0003137900000000, 0.0013735000000000 ] - [ -0.0023379300000000, 0.0004459300000000, -0.0002679900000000 ] - [ 0.0022494400000000, -0.0005480300000000, 0.0001754600000000 ] - [ -0.0007526600000000, -0.0020803300000000, 0.0036671500000000 ] - [ -0.0005449100000000, -0.0012158700000000, 0.0013918600000000 ] - [ 0.0037274400000000, -0.0007228300000000, 0.0062686000000000 ] - [ -0.0025714500000000, 0.0003598200000000, 0.0002250100000000 ] - [ -0.0002717200000000, 0.0006346200000000, 0.0012391900000000 ] - [ -0.0006143500000000, 0.0003437900000000, 0.0016626300000000 ] - [ -0.0024595000000000, 0.0002278300000000, 0.0001614400000000 ] - [ 0.0030947200000000, 0.0005771900000000, -0.0000848000000000 ] - [ -0.0005097400000000, 0.0024418000000000, 0.0043722700000000 ] - [ -0.0002144600000000, 0.0013652200000000, 0.0016375700000000 ] - [ 0.0004639400000000, -0.0010158800000000, 0.0024549000000000 ] - [ 0.0004276800000000, -0.0009220000000000, 0.0021412000000000 ] - [ 0.0013088800000000, 0.0018859100000000, -0.0026690500000000 ] - [ -0.0003110500000000, 0.0067946300000000, -0.0056107200000000 ] - [ -0.0000595300000000, 0.0007825400000000, 0.0024114200000000 ] - [ 0.0002992200000000, 0.0008504600000000, 0.0024125800000000 ] - [ 0.0413933400000000, -0.1111479200000000, -0.1572946600000000 ] - [ 0.0004559000000000, -0.0019239200000000, -0.0036496800000000 ] - [ 0.0382340100000000, 0.1033088200000000, -0.1443838100000000 ] - [ 0.0006887800000000, 0.0016650700000000, -0.0033884000000000 ] - [ 0.0001894500000000, -0.0004902300000000, 0.0020984400000000 ] - [ 0.0005064000000000, -0.0005502500000000, 0.0021394900000000 ] - [ 0.0009040600000000, -0.0018657800000000, -0.0026469200000000 ] - [ -0.0012143200000000, -0.0094805900000000, -0.0055314200000000 ] - [ 0.0001812400000000, 0.0007411900000000, 0.0020368700000000 ] - [ 0.0001377200000000, 0.0006982600000000, 0.0017974400000000 ] - [ 0.0016654300000000, -0.0001912800000000, -0.0061996000000000 ] - [ 0.0092113200000000, -0.0005496100000000, -0.0888085600000000 ] - [ 0.0004225400000000, 0.0002132400000000, 0.0018712100000000 ] - [ 0.0007563300000000, 0.0001900700000000, 0.0017368300000000 ] - [ 0.0008021500000000, -0.0006645100000000, -0.0066728600000000 ] - [ -0.0007030200000000, -0.0000893400000000, -0.0023209500000000 ] - [ -0.0006380800000000, 0.0000398700000000, 0.0014166000000000 ] - [ -0.0006091300000000, 0.0000426200000000, 0.0014197900000000 ] - [ -0.1072555700000000, 0.0089174600000000, -0.3441452700000000 ] - [ -0.0005657300000000, -0.0000373500000000, -0.0050026300000000 ] - [ -0.0004423500000000, 0.0001542600000000, 0.0030396500000000 ] - [ -0.0003928400000000, 0.0001544900000000, 0.0030160300000000 ] - [ -0.0017047000000000, -0.0005482300000000, -0.0060662400000000 ] - [ -0.0000570200000000, -0.0018340000000000, -0.0153268600000000 ] - [ -0.0010132100000000, 0.0004068300000000, 0.0038569400000000 ] - [ -0.0007651600000000, 0.0004129500000000, 0.0034693500000000 ] - [ 0.0000221900000000, -0.0001551300000000, -0.0015528100000000 ] - [ 0.0000117600000000, -0.0001117100000000, -0.0017476900000000 ] - [ 0.0000181200000000, 0.0001944200000000, -0.0020999400000000 ] - [ 0.0000712000000000, 0.0002873700000000, -0.0016935000000000 ] - [ 0.0000970700000000, 0.0037141200000000, 0.0115569900000000 ] - [ -0.0001181600000000, 0.0007877600000000, 0.0051952000000000 ] - [ -0.0074976000000000, -0.0101876300000000, 0.0082685300000000 ] - [ 0.0038140600000000, -0.0017534200000000, 0.0033139600000000 ] - [ 0.0204174100000000, -0.0013893800000000, 0.7447584600000000 ] - [ -0.0004696500000000, 0.0000456800000000, 0.0070951000000000 ] - [ 0.0001834300000000, 0.0003046800000000, -0.0058589100000000 ] - [ 0.0001443800000000, 0.0002449100000000, -0.0052522600000000 ] - [ 0.0003428500000000, -0.0001597100000000, -0.0051959800000000 ] - [ -0.0001769100000000, -0.0001350200000000, -0.0051952300000000 ] - [ 0.0002960200000000, 0.0000509300000000, 0.0092162900000000 ] - [ -0.0028802700000000, 0.0023088500000000, 0.0288233400000000 ] - [ 0.0014325000000000, -0.0001065100000000, -0.0031719100000000 ] - [ -0.0019632600000000, 0.0007511600000000, -0.0126189100000000 ] - [ 0.0043996200000000, -0.0001663900000000, -0.0037675900000000 ] - [ -0.0039142400000000, -0.0000002200000000, -0.0012420900000000 ] - [ 0.0002681900000000, -0.0003124500000000, -0.0050088300000000 ] - [ -0.0000251800000000, -0.0002799100000000, -0.0033519500000000 ] - [ -0.0083501100000000, -0.0005549200000000, -0.0109094600000000 ] - [ 0.0106146300000000, -0.0010550900000000, -0.0043518000000000 ] - [ -0.0011221100000000, 0.0005578700000000, -0.0006811700000000 ] - [ 0.0007817300000000, 0.0003560900000000, -0.0006876000000000 ] - [ 0.0000239300000000, 0.0001217700000000, -0.0024172800000000 ] - [ -0.0004292700000000, 0.0001316400000000, -0.0018741700000000 ] - [ 0.0096117200000000, 0.0005925600000000, -0.0061748200000000 ] - [ -0.0060298400000000, 0.0002765600000000, -0.0005708000000000 ] - [ 0.0003432500000000, -0.0002340300000000, -0.0015939300000000 ] - [ -0.0003141700000000, -0.0000665800000000, -0.0022197700000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019662800000000, -0.0008546400000000, 0.0016961200000000 ] - [ 0.0018490500000000, 0.0003230900000000, -0.0004150900000000 ] - [ 0.0121245800000000, 0.0191349400000000, 0.0044616200000000 ] - [ 0.0125738200000000, -0.0076609600000000, -0.0030615400000000 ] - [ 0.0002185700000000, -0.0000377000000000, -0.0002087900000000 ] - [ 0.0000436300000000, -0.0000412000000000, -0.0001539200000000 ] - [ -0.0000560200000000, -0.0002332300000000, 0.0008238100000000 ] - [ 0.0003281400000000, 0.0002453300000000, -0.0004966500000000 ] - [ -0.0016257100000000, -0.0000291400000000, 0.0007704700000000 ] - [ 0.0016520900000000, 0.0000329000000000, 0.0003909400000000 ] - [ 0.0142247500000000, -0.0102688200000000, 0.0116237600000000 ] - [ 0.0123051000000000, 0.0047445700000000, -0.0079442600000000 ] - [ -0.0000249000000000, 0.0000505100000000, -0.0004751400000000 ] - [ -0.0002481500000000, 0.0000027700000000, -0.0003033100000000 ] - [ -0.0003323800000000, 0.0002404600000000, 0.0011651900000000 ] - [ 0.0001007800000000, -0.0002190900000000, -0.0005158900000000 ] - [ -0.0005041300000000, 0.0000692200000000, -0.0002007500000000 ] - [ -0.0009585300000000, 0.0001019500000000, 0.0000454400000000 ] - [ -0.0014574400000000, -0.0001190400000000, -0.0002767100000000 ] - [ 0.0000227800000000, -0.0000356600000000, 0.0005115800000000 ] - [ -0.0014633800000000, -0.0000110500000000, 0.0017198000000000 ] - [ 0.0010891300000000, 0.0002041900000000, -0.0020267900000000 ] - [ 0.3362652500000000, -0.0170332300000000, 0.0614501400000000 ] - [ -0.0171652800000000, 0.0000915300000000, -0.0021903400000000 ] - [ -0.0004663000000000, -0.0004196200000000, -0.0009366400000000 ] - [ -0.0006094500000000, -0.0003464000000000, -0.0001432800000000 ] - [ -0.0003023000000000, 0.0004009100000000, 0.0005804500000000 ] - [ -0.0007631800000000, 0.0003901200000000, 0.0005919200000000 ] - [ 0.0002297400000000, -0.0051890200000000, 0.0053153400000000 ] - [ -0.0019847600000000, 0.0013407700000000, -0.0036294500000000 ] - [ -0.0055414400000000, 0.0002104200000000, -0.0005681500000000 ] - [ 0.0866178900000000, -0.0028180100000000, 0.0235120600000000 ] - [ 0.0001290500000000, 0.0007594200000000, 0.0002805700000000 ] - [ 0.0001329700000000, 0.0008406600000000, 0.0004452700000000 ] - [ 0.0006707600000000, -0.0009509300000000, -0.0005532300000000 ] - [ -0.0004078700000000, -0.0006517100000000, -0.0001042800000000 ] - [ 0.0013482400000000, 0.0005396500000000, 0.0017834700000000 ] - [ -0.0017329300000000, 0.0015032000000000, -0.0023341600000000 ] - [ -0.0120597400000000, -0.0038757900000000, 0.0016262100000000 ] - [ 0.1497088500000000, 0.1133840700000000, -0.0416968200000000 ] - [ -0.0002206000000000, -0.0007448300000000, 0.0002380000000000 ] - [ -0.0002353900000000, -0.0008349200000000, 0.0004210700000000 ] - [ 0.0003898500000000, 0.0009061200000000, -0.0004869800000000 ] - [ -0.0008307600000000, 0.0006986700000000, -0.0000925200000000 ] - [ 0.0015418100000000, -0.0007312900000000, 0.0018445900000000 ] - [ -0.0011784600000000, -0.0016931400000000, -0.0022274800000000 ] - [ -0.0101082000000000, 0.0023357200000000, 0.0013434600000000 ] - [ 0.1286298700000000, -0.0853218900000000, -0.0497210200000000 ] - [ 0.0002094600000000, 0.0013762800000000, -0.0029432900000000 ] - [ 0.0000508900000000, -0.0012673000000000, 0.0025743300000000 ] - [ 0.0002930700000000, 0.0000893600000000, 0.0002118800000000 ] - [ 0.0000273400000000, 0.0000901900000000, 0.0001424500000000 ] - [ 0.0020911900000000, -0.0025627200000000, -0.0020128400000000 ] - [ -0.0022672600000000, 0.0005889500000000, 0.0013862200000000 ] - [ -0.0012430700000000, 0.0003019300000000, 0.0008376100000000 ] - [ 0.0003819700000000, -0.0002222200000000, -0.0011173000000000 ] - [ -0.0010542900000000, -0.0002955100000000, 0.0008107500000000 ] - [ 0.0010230200000000, 0.0001759300000000, -0.0011905200000000 ] - [ 0.0013959100000000, 0.0038402200000000, -0.0024417800000000 ] - [ -0.0020620500000000, -0.0011813100000000, 0.0015149500000000 ] - [ 0.0000335900000000, -0.0001504200000000, 0.0001947500000000 ] - [ -0.0002490400000000, -0.0001577100000000, 0.0001259400000000 ] - [ -0.0001020100000000, -0.0013273300000000, -0.0026363200000000 ] - [ -0.0002981900000000, 0.0012375700000000, 0.0023828300000000 ] - [ 0.0023881000000000, -0.0001490600000000, 0.0000551300000000 ] - [ -0.0009798200000000, -0.0001400500000000, -0.0004382300000000 ] - [ -0.0010078300000000, 0.0004169500000000, -0.0005911700000000 ] - [ -0.0007606200000000, 0.0002435600000000, 0.0022079000000000 ] - [ -0.0009275100000000, -0.0001330500000000, 0.0003245100000000 ] - [ -0.0002526000000000, -0.0001237000000000, 0.0001592700000000 ] - [ 0.0017066700000000, 0.0000561500000000, -0.0023498600000000 ] - [ -0.0038310500000000, 0.0001273600000000, 0.0011764600000000 ] - [ -0.0000602800000000, -0.0003184600000000, 0.0006951900000000 ] - [ 0.0005831300000000, -0.0002209100000000, -0.0002783100000000 ] - [ 0.0007660200000000, 0.0007107500000000, -0.0033554400000000 ] - [ -0.0011347000000000, 0.0000888800000000, 0.0021419300000000 ] - [ 0.0002749300000000, -0.0003109600000000, 0.0000017200000000 ] - [ -0.0006525800000000, -0.0002778500000000, -0.0004433900000000 ] - [ -0.0016181500000000, -0.0001769300000000, -0.0085519600000000 ] - [ -0.0029092800000000, 0.0007088100000000, 0.0076811100000000 ] - [ -0.0026370100000000, 0.0000690500000000, -0.0008489400000000 ] - [ 0.0019942800000000, -0.0002455600000000, 0.0002649200000000 ] - [ 0.0027088700000000, 0.0006236600000000, 0.0005690100000000 ] - [ -0.0051293900000000, 0.0005360200000000, -0.0034448100000000 ] - [ -0.0001669800000000, -0.0000781800000000, -0.0005479800000000 ] - [ 0.0002103200000000, 0.0000111400000000, 0.0006774600000000 ] - [ -0.0001433000000000, -0.0000979600000000, -0.0003729500000000 ] - [ 0.0001202100000000, -0.0000921700000000, 0.0001279200000000 ] - [ 0.0024288900000000, 0.0000202000000000, -0.0015790300000000 ] - [ -0.0026906600000000, -0.0000728400000000, 0.0018377800000000 ] - [ -0.0034448200000000, 0.0002167200000000, 0.0104520200000000 ] - [ 0.0043146700000000, -0.0000471600000000, -0.0084725900000000 ] - [ 0.0027696200000000, -0.0013209100000000, 0.0045344200000000 ] - [ 0.0031472400000000, 0.0006095600000000, -0.0037697000000000 ] - [ -0.0005138600000000, -0.0000019100000000, -0.0001329100000000 ] - [ 0.0005913100000000, -0.0000025600000000, 0.0001609200000000 ] - [ -0.7292906400000000, -0.0107753200000000, 0.0067170900000000 ] - [ 0.0279295900000000, 0.0014358500000000, -0.0007930300000000 ] - [ 0.0016551400000000, 0.0016123500000000, -0.0078301300000000 ] - [ 0.0016914900000000, -0.0003141500000000, 0.0077820900000000 ] - [ 0.0014531800000000, 0.0000138900000000, 0.0001914100000000 ] - [ -0.0011932100000000, 0.0000072400000000, 0.0002284800000000 ] - [ -0.0000757100000000, 0.0000196800000000, 0.0001217000000000 ] - [ 0.0003717400000000, -0.0000659300000000, -0.0007284300000000 ] - [ -0.0001585200000000, 0.0001605400000000, -0.0001360500000000 ] - [ -0.0000826500000000, 0.0001385000000000, -0.0002209400000000 ] - [ 0.0005847000000000, -0.0001395100000000, 0.0002560400000000 ] - [ -0.0008512600000000, -0.0001394000000000, 0.0000962700000000 ] - [ 0.0028019900000000, -0.0020302300000000, -0.0101408000000000 ] - [ 0.0046997900000000, 0.0008140500000000, 0.0065482900000000 ] - [ -0.0064345100000000, 0.0000257800000000, 0.0002579600000000 ] - [ 0.0035714400000000, -0.0003577100000000, 0.0000418800000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0017109400000000, 0.0008163800000000, -0.0013582000000000 ] - [ -0.0021117800000000, -0.0003778100000000, 0.0007410900000000 ] - [ -0.0122640000000000, -0.0189114200000000, -0.0047244400000000 ] - [ -0.0129331200000000, 0.0078519000000000, 0.0027567800000000 ] - [ 0.0000424900000000, -0.0000267300000000, -0.0001286200000000 ] - [ 0.0002173400000000, -0.0000226100000000, -0.0001837000000000 ] - [ 0.0003155800000000, 0.0002983200000000, -0.0004901900000000 ] - [ -0.0000676400000000, -0.0001812300000000, 0.0008330000000000 ] - [ 0.0018992800000000, 0.0000746900000000, -0.0000188600000000 ] - [ -0.0013780800000000, 0.0000082200000000, 0.0003537100000000 ] - [ -0.0138579100000000, 0.0101752000000000, -0.0122878200000000 ] - [ -0.0120800100000000, -0.0048597400000000, 0.0073263600000000 ] - [ -0.0002498900000000, -0.0000092500000000, -0.0002730100000000 ] - [ -0.0000261700000000, 0.0000385200000000, -0.0004429300000000 ] - [ 0.0000516700000000, -0.0002807900000000, -0.0004225800000000 ] - [ -0.0003781000000000, 0.0001784600000000, 0.0012622200000000 ] - [ -0.0009497000000000, 0.0000994000000000, 0.0000286500000000 ] - [ -0.0005003500000000, 0.0000671600000000, -0.0002163400000000 ] - [ 0.0000062600000000, -0.0000485000000000, 0.0004514700000000 ] - [ -0.0014797400000000, -0.0001329300000000, -0.0003383800000000 ] - [ 0.0029295200000000, 0.0001773500000000, -0.0015449400000000 ] - [ 0.0003325300000000, -0.0000341100000000, 0.0021956500000000 ] - [ -0.3111253600000000, 0.0151846300000000, -0.0555432000000000 ] - [ 0.0187714700000000, -0.0002684000000000, 0.0020364200000000 ] - [ -0.0006069300000000, -0.0003569000000000, -0.0001616600000000 ] - [ -0.0004639400000000, -0.0004302700000000, -0.0009564100000000 ] - [ -0.0007710400000000, 0.0003767500000000, 0.0005266200000000 ] - [ -0.0003094600000000, 0.0003878000000000, 0.0005079800000000 ] - [ 0.0008581400000000, 0.0043849900000000, -0.0041937800000000 ] - [ 0.0030416900000000, -0.0021374300000000, 0.0047527400000000 ] - [ 0.0066321000000000, 0.0005610800000000, -0.0005162800000000 ] - [ -0.0850366000000000, 0.0033699800000000, -0.0230780500000000 ] - [ 0.0001267800000000, 0.0008359000000000, 0.0004273800000000 ] - [ 0.0001228000000000, 0.0007552600000000, 0.0002620300000000 ] - [ -0.0004156200000000, -0.0006456100000000, -0.0001516300000000 ] - [ 0.0006640500000000, -0.0009434100000000, -0.0006017700000000 ] - [ -0.0015922100000000, 0.0010497100000000, -0.0024890500000000 ] - [ 0.0014688400000000, 0.0000965400000000, 0.0016319400000000 ] - [ 0.0118277500000000, 0.0022911100000000, -0.0009230100000000 ] - [ -0.1510151700000000, -0.1198239300000000, 0.0440659500000000 ] - [ -0.0002355600000000, -0.0008373200000000, 0.0004011000000000 ] - [ -0.0002210200000000, -0.0007470600000000, 0.0002169300000000 ] - [ -0.0008471400000000, 0.0006751300000000, -0.0001477000000000 ] - [ 0.0003723900000000, 0.0008773900000000, -0.0005401200000000 ] - [ -0.0010758900000000, -0.0008586300000000, -0.0024863400000000 ] - [ 0.0016251700000000, 0.0001009000000000, 0.0015932300000000 ] - [ 0.0105876400000000, -0.0007727000000000, -0.0007136500000000 ] - [ -0.1280698800000000, 0.0894289500000000, 0.0519494200000000 ] - [ 0.0001166800000000, -0.0015475800000000, 0.0025977100000000 ] - [ 0.0002665800000000, 0.0011070800000000, -0.0029268400000000 ] - [ 0.0000304500000000, 0.0000833700000000, 0.0001326600000000 ] - [ 0.0002922200000000, 0.0000748100000000, 0.0002080000000000 ] - [ -0.0023907600000000, 0.0023844900000000, 0.0023554200000000 ] - [ 0.0019347200000000, -0.0007748300000000, -0.0010585600000000 ] - [ 0.0009248800000000, -0.0001362400000000, -0.0011806300000000 ] - [ -0.0007079600000000, 0.0003882800000000, 0.0007612000000000 ] - [ 0.0012714500000000, 0.0000080900000000, -0.0011228500000000 ] - [ -0.0008089600000000, -0.0004605200000000, 0.0008680300000000 ] - [ -0.0011617500000000, -0.0035488800000000, 0.0027633100000000 ] - [ 0.0022669600000000, 0.0014803100000000, -0.0012123100000000 ] - [ -0.0002503600000000, -0.0001383200000000, 0.0001235300000000 ] - [ 0.0000314300000000, -0.0001277100000000, 0.0001944200000000 ] - [ -0.0001077600000000, 0.0016208300000000, 0.0023214400000000 ] - [ 0.0000778200000000, -0.0009570000000000, -0.0027036800000000 ] - [ -0.0012053600000000, -0.0001060800000000, -0.0005460700000000 ] - [ 0.0021567200000000, -0.0001145400000000, -0.0000475400000000 ] - [ 0.0022116500000000, -0.0001634600000000, 0.0010852100000000 ] - [ 0.0019022600000000, 0.0000139800000000, -0.0017098800000000 ] - [ -0.0002502000000000, -0.0001226900000000, 0.0001673400000000 ] - [ -0.0009319300000000, -0.0001330800000000, 0.0003325000000000 ] - [ -0.0028738900000000, 0.0001986100000000, 0.0018673000000000 ] - [ 0.0026454100000000, 0.0001284000000000, -0.0016702900000000 ] - [ 0.0004763500000000, -0.0002629900000000, -0.0002932700000000 ] - [ -0.0001704600000000, -0.0003604500000000, 0.0006708600000000 ] - [ -0.0003495200000000, -0.0001306900000000, 0.0029610700000000 ] - [ 0.0015380600000000, 0.0004943900000000, -0.0025467500000000 ] - [ -0.0006874500000000, -0.0002722300000000, -0.0003960600000000 ] - [ 0.0002402100000000, -0.0003044100000000, 0.0000523100000000 ] - [ 0.0012184600000000, 0.0007570900000000, 0.0089228800000000 ] - [ 0.0024857900000000, -0.0001278200000000, -0.0073165200000000 ] - [ 0.0026060400000000, 0.0000804300000000, 0.0010249900000000 ] - [ -0.0020313000000000, 0.0003892200000000, -0.0000693100000000 ] - [ -0.0026801900000000, -0.0004744600000000, -0.0007501200000000 ] - [ 0.0051752200000000, -0.0003967400000000, 0.0032413900000000 ] - [ 0.0001982400000000, -0.0000669000000000, 0.0007379600000000 ] - [ -0.0001741100000000, -0.0001559800000000, -0.0004881200000000 ] - [ 0.0001081900000000, -0.0000476600000000, 0.0001805100000000 ] - [ -0.0001519600000000, -0.0000538200000000, -0.0003199000000000 ] - [ -0.0024994100000000, -0.0000326900000000, 0.0015855600000000 ] - [ 0.0026199200000000, 0.0000588600000000, -0.0018112600000000 ] - [ 0.0034834600000000, -0.0002059500000000, -0.0104255700000000 ] - [ -0.0042451100000000, 0.0000597300000000, 0.0085085000000000 ] - [ -0.0028539000000000, 0.0013437500000000, -0.0045549600000000 ] - [ -0.0031504300000000, -0.0005940300000000, 0.0037780100000000 ] - [ 0.0005838000000000, -0.0000092500000000, 0.0001159900000000 ] - [ -0.0005237500000000, -0.0000080800000000, -0.0001836600000000 ] - [ 0.7055689500000000, 0.0149533100000000, -0.0182718300000000 ] - [ -0.0283720900000000, -0.0013766200000000, 0.0001880200000000 ] - [ -0.0019687700000000, -0.0016403800000000, 0.0083758900000000 ] - [ -0.0019322100000000, 0.0002832500000000, -0.0072414500000000 ] - [ -0.0011631700000000, 0.0000277400000000, 0.0003669800000000 ] - [ 0.0014886500000000, 0.0000344700000000, 0.0003275600000000 ] - [ 0.0003671700000000, -0.0000607100000000, -0.0006873700000000 ] - [ -0.0000773700000000, 0.0000244700000000, 0.0001641700000000 ] - [ -0.0000839500000000, 0.0001334400000000, -0.0001941500000000 ] - [ -0.0001585100000000, 0.0001556000000000, -0.0001091900000000 ] - [ -0.0008281700000000, -0.0001547200000000, 0.0000719700000000 ] - [ 0.0006104400000000, -0.0001544600000000, 0.0002306300000000 ] - [ -0.0025375700000000, 0.0022928600000000, 0.0104021400000000 ] - [ -0.0044739900000000, -0.0005466600000000, -0.0062794700000000 ] - [ 0.0066954100000000, -0.0003256000000000, -0.0005880500000000 ] - [ -0.0033334100000000, 0.0000624600000000, -0.0003677700000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002406200000000, 0.0008072100000000, -0.0051146700000000 ] - [ -0.0003508100000000, -0.0005664300000000, 0.0003395800000000 ] - [ 0.0096643200000000, -0.0012392200000000, 0.0010593800000000 ] - [ -0.0171772100000000, 0.0032982500000000, 0.0009082700000000 ] - [ 0.0001230800000000, -0.0000257200000000, -0.0002241100000000 ] - [ 0.0001269100000000, -0.0000267500000000, -0.0002453400000000 ] - [ 0.0001424700000000, 0.0000623400000000, 0.0000732600000000 ] - [ 0.0001232100000000, 0.0000400600000000, 0.0000839600000000 ] - [ 0.0002829200000000, 0.0006809900000000, 0.0008204000000000 ] - [ 0.0000612200000000, 0.0002513500000000, 0.0003046400000000 ] - [ -0.0043233300000000, -0.0001471300000000, -0.0018002500000000 ] - [ 0.0138515700000000, -0.0046143300000000, -0.0105547800000000 ] - [ -0.0001459100000000, -0.0000094700000000, -0.0004002500000000 ] - [ -0.0001411000000000, 0.0000046300000000, -0.0004577400000000 ] - [ -0.0000575000000000, -0.0000235900000000, 0.0004085300000000 ] - [ -0.0001951700000000, -0.0000050100000000, 0.0003995800000000 ] - [ -0.0007726900000000, 0.0000921000000000, -0.0000117100000000 ] - [ -0.0007200700000000, 0.0000883500000000, -0.0000379000000000 ] - [ -0.0007178500000000, -0.0000914000000000, 0.0001467900000000 ] - [ -0.0007148100000000, -0.0001143500000000, 0.0001362300000000 ] - [ 0.0001861800000000, -0.0004371000000000, 0.0008809600000000 ] - [ 0.0010459100000000, -0.0020573000000000, 0.0016295800000000 ] - [ -0.0149004700000000, 0.0877846400000000, -0.0055810100000000 ] - [ -0.0014516600000000, 0.0045799300000000, -0.0004019600000000 ] - [ -0.0005530100000000, -0.0003699500000000, -0.0004048900000000 ] - [ -0.0005289200000000, -0.0003753400000000, -0.0004300000000000 ] - [ -0.0005339100000000, 0.0003630700000000, 0.0006783900000000 ] - [ -0.0005319800000000, 0.0003939400000000, 0.0006780100000000 ] - [ -0.0012833800000000, -0.0028467400000000, 0.0026064100000000 ] - [ 0.0035326000000000, -0.0054233100000000, 0.0052466000000000 ] - [ 0.0001881000000000, 0.0008304600000000, -0.0015978900000000 ] - [ -0.0016379500000000, 0.0898902100000000, -0.0340723900000000 ] - [ 0.0001272100000000, 0.0008167300000000, 0.0004075400000000 ] - [ 0.0001528800000000, 0.0008208900000000, 0.0004147500000000 ] - [ 0.0001205300000000, -0.0008577800000000, -0.0003502900000000 ] - [ 0.0001208600000000, -0.0007856500000000, -0.0002930900000000 ] - [ 0.0011112400000000, -0.0017494800000000, -0.0002973900000000 ] - [ 0.0006660000000000, -0.0021919400000000, 0.0009750500000000 ] - [ -0.0001110300000000, -0.0003950000000000, 0.0000390000000000 ] - [ 0.1086209900000000, 0.2807889300000000, -0.0676769300000000 ] - [ -0.0002293600000000, -0.0008155300000000, 0.0003834600000000 ] - [ -0.0001995000000000, -0.0008184700000000, 0.0003921500000000 ] - [ -0.0002485700000000, 0.0006755100000000, -0.0001798900000000 ] - [ -0.0002328500000000, 0.0007374200000000, -0.0002335700000000 ] - [ -0.0006561900000000, -0.0018633000000000, 0.0003899500000000 ] - [ 0.0008244400000000, -0.0006166800000000, 0.0008624800000000 ] - [ -0.0006661000000000, 0.0025052300000000, 0.0006528200000000 ] - [ -0.0892737300000000, 0.2666596600000000, 0.1114251300000000 ] - [ -0.0000370700000000, -0.0000485300000000, 0.0000990600000000 ] - [ -0.0000432700000000, 0.0004663200000000, -0.0007180300000000 ] - [ 0.0001339900000000, 0.0000102000000000, 0.0003052500000000 ] - [ 0.0001507500000000, 0.0000100600000000, 0.0002871600000000 ] - [ -0.0041917800000000, -0.0066536900000000, -0.0031159600000000 ] - [ 0.0016078700000000, -0.0054171500000000, -0.0030590700000000 ] - [ -0.0001848400000000, 0.0002573100000000, -0.0002573300000000 ] - [ 0.0000438700000000, 0.0004845700000000, 0.0006815100000000 ] - [ 0.0001329200000000, -0.0001624700000000, -0.0002758900000000 ] - [ 0.0003469600000000, 0.0004115800000000, -0.0004396700000000 ] - [ 0.0030473600000000, -0.0063319900000000, 0.0031557500000000 ] - [ -0.0010497800000000, -0.0058286000000000, 0.0035588300000000 ] - [ -0.0001281300000000, -0.0001069500000000, 0.0002650700000000 ] - [ -0.0001084800000000, -0.0000865200000000, 0.0002512300000000 ] - [ -0.0001102400000000, 0.0004791900000000, 0.0001032300000000 ] - [ 0.0003507100000000, 0.0010678200000000, 0.0005342900000000 ] - [ 0.0004867200000000, 0.0001136300000000, -0.0001479500000000 ] - [ 0.0004528500000000, -0.0000687200000000, -0.0004279300000000 ] - [ 0.0002287600000000, -0.0025856200000000, 0.0001300200000000 ] - [ 0.0010953600000000, -0.0045632100000000, 0.0002276600000000 ] - [ -0.0005806400000000, -0.0001398900000000, 0.0003226800000000 ] - [ -0.0006003200000000, -0.0001512200000000, 0.0003530200000000 ] - [ -0.0009942500000000, 0.0010163900000000, -0.0001628200000000 ] - [ -0.0004657500000000, 0.0000745500000000, -0.0000231900000000 ] - [ 0.0001181800000000, -0.0002698500000000, 0.0001356800000000 ] - [ 0.0002289400000000, -0.0000479300000000, 0.0003525100000000 ] - [ 0.0001086000000000, -0.0019972100000000, -0.0000706400000000 ] - [ 0.0003284100000000, -0.0012774700000000, -0.0000279400000000 ] - [ -0.0002054400000000, -0.0003565200000000, 0.0000226200000000 ] - [ -0.0001283700000000, -0.0003176600000000, 0.0000230200000000 ] - [ -0.0002516200000000, 0.0007390800000000, 0.0012059000000000 ] - [ 0.0003393500000000, 0.0049178900000000, 0.0007611300000000 ] - [ -0.0002644100000000, 0.0009135900000000, -0.0027171900000000 ] - [ 0.0001067100000000, 0.0001579700000000, -0.0002872900000000 ] - [ -0.0002274600000000, -0.0002245900000000, -0.0000931200000000 ] - [ 0.0012847400000000, 0.0010480100000000, 0.0097015800000000 ] - [ 0.0001099000000000, -0.0001225800000000, -0.0000704300000000 ] - [ -0.0000730300000000, -0.0001762300000000, -0.0000974100000000 ] - [ 0.0000313200000000, -0.0000502200000000, -0.0001094700000000 ] - [ -0.0000513700000000, -0.0000180500000000, -0.0001162200000000 ] - [ 0.0001622600000000, -0.0001254700000000, 0.0001379600000000 ] - [ -0.0000488100000000, -0.0013547600000000, -0.0007258000000000 ] - [ 0.0007601400000000, -0.0005609900000000, -0.0010289200000000 ] - [ -0.0003157600000000, 0.0001601000000000, -0.0005366100000000 ] - [ 0.0001014500000000, 0.0126701500000000, 0.0001613000000000 ] - [ -0.0008316500000000, 0.0112860600000000, -0.0000370600000000 ] - [ 0.0000458100000000, 0.0000292900000000, -0.0003487200000000 ] - [ 0.0000005900000000, 0.0000043100000000, -0.0003154000000000 ] - [ -0.0034239000000000, -0.7396387700000000, -0.0066771800000000 ] - [ 0.0012643700000000, -0.0002999400000000, 0.0010998100000000 ] - [ 0.0001635500000000, 0.0041611800000000, -0.0033814000000000 ] - [ -0.0017989500000000, 0.0041672200000000, -0.0066996200000000 ] - [ 0.0001548000000000, 0.0000447000000000, 0.0000766900000000 ] - [ 0.0001573900000000, 0.0002120000000000, 0.0000891600000000 ] - [ 0.0001857500000000, -0.0000328300000000, -0.0004844900000000 ] - [ 0.0001008100000000, -0.0000267800000000, -0.0004646700000000 ] - [ -0.0001046700000000, 0.0001521400000000, -0.0002417300000000 ] - [ -0.0001295200000000, 0.0001517000000000, -0.0002424100000000 ] - [ -0.0001405700000000, -0.0001549100000000, 0.0000724400000000 ] - [ -0.0001108700000000, -0.0001906800000000, 0.0001209800000000 ] - [ -0.0010785600000000, -0.0011060400000000, 0.0025961600000000 ] - [ 0.0020198500000000, -0.0023886400000000, 0.0046748600000000 ] - [ -0.0008583800000000, 0.0230167900000000, -0.0002348900000000 ] - [ 0.0002098500000000, 0.0009539400000000, 0.0001530400000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000133700000000, -0.0008667700000000, 0.0053732500000000 ] - [ 0.0000893600000000, 0.0004922100000000, -0.0000017300000000 ] - [ -0.0098317700000000, 0.0013131000000000, -0.0013720700000000 ] - [ 0.0168087800000000, -0.0032410200000000, -0.0011942500000000 ] - [ 0.0001379500000000, -0.0000393300000000, -0.0001139000000000 ] - [ 0.0001334200000000, -0.0000377700000000, -0.0000936200000000 ] - [ 0.0001174900000000, 0.0000049600000000, 0.0002631600000000 ] - [ 0.0001374500000000, 0.0000272600000000, 0.0002489600000000 ] - [ -0.0000071700000000, -0.0006320600000000, -0.0000816700000000 ] - [ 0.0002149700000000, -0.0002035900000000, 0.0004401400000000 ] - [ 0.0046386500000000, 0.0001257700000000, 0.0010924800000000 ] - [ -0.0136507800000000, 0.0045723100000000, 0.0098572900000000 ] - [ -0.0001298300000000, 0.0000506400000000, -0.0003501400000000 ] - [ -0.0001346700000000, 0.0000367900000000, -0.0002928000000000 ] - [ -0.0002223100000000, -0.0000211800000000, 0.0003431300000000 ] - [ -0.0000834700000000, -0.0000392000000000, 0.0003467500000000 ] - [ -0.0006812500000000, 0.0000782800000000, -0.0001601100000000 ] - [ -0.0007382900000000, 0.0000825400000000, -0.0001326900000000 ] - [ -0.0007381400000000, -0.0000782200000000, 0.0000270100000000 ] - [ -0.0007384100000000, -0.0000558000000000, 0.0000395300000000 ] - [ 0.0012508800000000, 0.0006096400000000, -0.0006918900000000 ] - [ 0.0004394300000000, 0.0022231200000000, -0.0014388800000000 ] - [ 0.0148051300000000, -0.0877761000000000, 0.0051027400000000 ] - [ 0.0028993600000000, -0.0047486300000000, 0.0002286300000000 ] - [ -0.0005200900000000, -0.0004044800000000, -0.0006852400000000 ] - [ -0.0005439000000000, -0.0003988800000000, -0.0006590700000000 ] - [ -0.0005377600000000, 0.0004124200000000, 0.0004221800000000 ] - [ -0.0005412200000000, 0.0003816700000000, 0.0004170500000000 ] - [ 0.0023227500000000, 0.0020661700000000, -0.0014652300000000 ] - [ -0.0024270100000000, 0.0046394200000000, -0.0041190300000000 ] - [ 0.0008774500000000, -0.0000496100000000, 0.0004853200000000 ] - [ 0.0027368400000000, -0.0896836400000000, 0.0344798400000000 ] - [ 0.0001242800000000, 0.0007703900000000, 0.0002961400000000 ] - [ 0.0000997400000000, 0.0007673000000000, 0.0002897400000000 ] - [ 0.0001331700000000, -0.0007301500000000, -0.0003514500000000 ] - [ 0.0001291300000000, -0.0007995900000000, -0.0004066900000000 ] - [ -0.0013716800000000, 0.0033425700000000, -0.0003879600000000 ] - [ -0.0009050100000000, 0.0037664200000000, -0.0016698200000000 ] - [ -0.0001518300000000, -0.0012082700000000, 0.0006646100000000 ] - [ -0.1191428800000000, -0.2977543400000000, 0.0745752500000000 ] - [ -0.0002262300000000, -0.0007639800000000, 0.0002540300000000 ] - [ -0.0002548800000000, -0.0007616700000000, 0.0002459500000000 ] - [ -0.0002047600000000, 0.0009025500000000, -0.0004545600000000 ] - [ -0.0002267100000000, 0.0008347500000000, -0.0003957500000000 ] - [ 0.0011084700000000, 0.0002980200000000, -0.0010155900000000 ] - [ -0.0003562400000000, -0.0009470600000000, -0.0014896300000000 ] - [ 0.0011090000000000, -0.0009094300000000, -0.0000155800000000 ] - [ 0.0824250300000000, -0.2527436200000000, -0.1020451100000000 ] - [ 0.0003614600000000, -0.0001288700000000, -0.0004374800000000 ] - [ 0.0003655900000000, -0.0006439200000000, 0.0003916500000000 ] - [ 0.0001905200000000, 0.0001638800000000, 0.0000384300000000 ] - [ 0.0001702800000000, 0.0001576600000000, 0.0000597000000000 ] - [ 0.0038449500000000, 0.0064700300000000, 0.0034239500000000 ] - [ -0.0019348200000000, 0.0052569100000000, 0.0033997200000000 ] - [ -0.0001358800000000, -0.0000859700000000, -0.0000873800000000 ] - [ -0.0003661700000000, -0.0003093100000000, -0.0010303400000000 ] - [ 0.0000860100000000, -0.0001283900000000, -0.0000395600000000 ] - [ -0.0001280900000000, -0.0007034500000000, 0.0001243300000000 ] - [ -0.0028523400000000, 0.0066375100000000, -0.0028727700000000 ] - [ 0.0012685600000000, 0.0061057500000000, -0.0032388500000000 ] - [ -0.0000903400000000, -0.0001797300000000, 0.0000552100000000 ] - [ -0.0001108000000000, -0.0001978100000000, 0.0000686700000000 ] - [ -0.0001049000000000, -0.0001826900000000, -0.0004147400000000 ] - [ -0.0005695600000000, -0.0007744400000000, -0.0008381600000000 ] - [ 0.0006944500000000, -0.0003709900000000, -0.0003421600000000 ] - [ 0.0007252000000000, -0.0001876100000000, -0.0000623500000000 ] - [ 0.0009351100000000, 0.0028445500000000, 0.0003538200000000 ] - [ 0.0001082400000000, 0.0048241600000000, 0.0002548500000000 ] - [ -0.0006019500000000, -0.0001175300000000, 0.0001695200000000 ] - [ -0.0005852900000000, -0.0001068500000000, 0.0001404500000000 ] - [ -0.0001809100000000, -0.0007602900000000, -0.0003199600000000 ] - [ -0.0007304500000000, 0.0001832700000000, -0.0004570500000000 ] - [ 0.0002928900000000, -0.0003131500000000, 0.0002552200000000 ] - [ 0.0001811600000000, -0.0005360900000000, 0.0000386200000000 ] - [ 0.0003064000000000, 0.0025833700000000, -0.0003463700000000 ] - [ 0.0000852700000000, 0.0018609600000000, -0.0003578800000000 ] - [ -0.0002041200000000, -0.0002271800000000, -0.0004019600000000 ] - [ -0.0002816500000000, -0.0002656800000000, -0.0004051700000000 ] - [ -0.0001533700000000, -0.0001579500000000, -0.0008137300000000 ] - [ -0.0007501500000000, -0.0043394300000000, -0.0003678700000000 ] - [ 0.0002220200000000, -0.0007577600000000, 0.0029075800000000 ] - [ -0.0001351500000000, -0.0000074000000000, 0.0004786300000000 ] - [ 0.0002676700000000, 0.0003640800000000, -0.0000964200000000 ] - [ -0.0012629800000000, -0.0009155600000000, -0.0098522900000000 ] - [ -0.0000761900000000, -0.0000260200000000, 0.0002575100000000 ] - [ 0.0001063600000000, 0.0000278400000000, 0.0002843000000000 ] - [ -0.0000642800000000, -0.0000942000000000, -0.0000823500000000 ] - [ 0.0000179400000000, -0.0001264600000000, -0.0000765100000000 ] - [ -0.0002289000000000, 0.0001153000000000, -0.0001215400000000 ] - [ -0.0000151700000000, 0.0013472900000000, 0.0007445600000000 ] - [ -0.0007037500000000, 0.0005707000000000, 0.0010356500000000 ] - [ 0.0003887300000000, -0.0001510300000000, 0.0005386700000000 ] - [ -0.0001409800000000, -0.0126615200000000, -0.0001260400000000 ] - [ 0.0007414000000000, -0.0112740200000000, 0.0000065800000000 ] - [ 0.0000216900000000, -0.0000400600000000, 0.0003201200000000 ] - [ 0.0000683900000000, -0.0000145200000000, 0.0002888500000000 ] - [ 0.0223947800000000, 0.7430543600000000, -0.0101914400000000 ] - [ -0.0015490400000000, 0.0003397300000000, -0.0016562200000000 ] - [ -0.0004359000000000, -0.0042155900000000, 0.0038728700000000 ] - [ 0.0014525200000000, -0.0042094600000000, 0.0072203200000000 ] - [ 0.0001428200000000, -0.0000016800000000, 0.0004790800000000 ] - [ 0.0001317600000000, -0.0001693500000000, 0.0004669000000000 ] - [ 0.0001070800000000, -0.0000090900000000, -0.0000821500000000 ] - [ 0.0001927500000000, -0.0000157300000000, -0.0001042500000000 ] - [ -0.0001374300000000, 0.0001412100000000, -0.0000887300000000 ] - [ -0.0001125300000000, 0.0001417100000000, -0.0000884100000000 ] - [ -0.0001005100000000, -0.0001385400000000, 0.0002531400000000 ] - [ -0.0001330600000000, -0.0001025700000000, 0.0002037400000000 ] - [ 0.0013244600000000, 0.0014163500000000, -0.0022610900000000 ] - [ -0.0017936600000000, 0.0026912000000000, -0.0043418400000000 ] - [ 0.0010741500000000, -0.0233108900000000, -0.0000638200000000 ] - [ 0.0000406400000000, -0.0012429100000000, -0.0004745100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007493000000000, -0.0129828600000000, 0.0157690300000000 ] - [ 0.0000680000000000, 0.0004932100000000, -0.0015002000000000 ] - [ 0.0052540100000000, 0.0040331100000000, -0.0047386400000000 ] - [ -0.0085333000000000, 0.0028100400000000, -0.0061502800000000 ] - [ 0.0002025400000000, 0.0001277200000000, 0.0015913700000000 ] - [ 0.0002203400000000, 0.0001682800000000, 0.0019921600000000 ] - [ 0.0001072500000000, 0.0000802000000000, 0.0020540300000000 ] - [ -0.0001128800000000, -0.0000636900000000, 0.0021992400000000 ] - [ -0.0003791100000000, 0.0014767200000000, 0.0012510800000000 ] - [ 0.0001457200000000, 0.0003538400000000, 0.0005504100000000 ] - [ 0.0065530300000000, -0.0014398400000000, 0.0004561900000000 ] - [ -0.0081642400000000, -0.0041487700000000, 0.0015046000000000 ] - [ -0.0001209500000000, 0.0000791300000000, 0.0013990300000000 ] - [ -0.0001788000000000, -0.0001033300000000, 0.0021968300000000 ] - [ -0.0000448000000000, 0.0002443600000000, 0.0021756100000000 ] - [ -0.0004323500000000, 0.0005026900000000, 0.0021124200000000 ] - [ 0.0001044500000000, -0.0000559900000000, -0.0021459100000000 ] - [ -0.0003384200000000, -0.0000297900000000, -0.0019028600000000 ] - [ -0.0012293100000000, -0.0002046700000000, -0.0016281300000000 ] - [ -0.0012693800000000, -0.0002153800000000, -0.0017624500000000 ] - [ 0.0035850200000000, 0.0009863000000000, 0.0031115900000000 ] - [ -0.0049718200000000, 0.0040924800000000, 0.0029151900000000 ] - [ 0.0592960200000000, -0.0051154300000000, 0.0992697400000000 ] - [ 0.0045793300000000, -0.0005492300000000, 0.0055079300000000 ] - [ -0.0003011100000000, -0.0007684300000000, -0.0042895500000000 ] - [ -0.0003727800000000, -0.0007721700000000, -0.0045000100000000 ] - [ -0.0007030400000000, -0.0000184500000000, -0.0032491300000000 ] - [ -0.0006904600000000, 0.0000112000000000, -0.0029420100000000 ] - [ 0.0011006000000000, -0.0003190900000000, 0.0103670700000000 ] - [ 0.0009614700000000, -0.0014520300000000, 0.0122267100000000 ] - [ 0.0011002000000000, -0.0003219800000000, 0.0084425100000000 ] - [ 0.0217845700000000, -0.0317962300000000, 0.3538108100000000 ] - [ -0.0001320300000000, 0.0003215600000000, -0.0013800700000000 ] - [ -0.0004666700000000, 0.0002266100000000, -0.0016504100000000 ] - [ 0.0004885600000000, -0.0013960200000000, -0.0021578400000000 ] - [ 0.0005508200000000, -0.0013579000000000, -0.0020042900000000 ] - [ 0.0016167300000000, 0.0002559000000000, 0.0028509800000000 ] - [ -0.0016243600000000, 0.0000360700000000, 0.0028887100000000 ] - [ -0.0018103600000000, -0.0014459500000000, 0.0035163900000000 ] - [ -0.0426382800000000, -0.0725099900000000, 0.1111332800000000 ] - [ -0.0004399800000000, -0.0001973300000000, -0.0017311900000000 ] - [ -0.0008166000000000, -0.0001205300000000, -0.0020191900000000 ] - [ 0.0000843400000000, 0.0015283500000000, -0.0024519400000000 ] - [ 0.0001534700000000, 0.0014534800000000, -0.0022414200000000 ] - [ 0.0077959400000000, 0.0074617500000000, 0.0014124800000000 ] - [ -0.0019509500000000, 0.0023541000000000, 0.0024918500000000 ] - [ -0.0007322400000000, 0.0013382900000000, 0.0037317000000000 ] - [ -0.0519159100000000, 0.1095251100000000, 0.1495632000000000 ] - [ -0.0008581500000000, 0.0010479500000000, -0.0021744300000000 ] - [ 0.0002380700000000, 0.0017131800000000, -0.0041129300000000 ] - [ 0.0004985200000000, 0.0008177400000000, -0.0022822900000000 ] - [ 0.0003644200000000, 0.0006915800000000, -0.0016790000000000 ] - [ -0.0030541000000000, -0.0028842000000000, -0.0012772000000000 ] - [ 0.0017023500000000, -0.0010303900000000, 0.0003562000000000 ] - [ 0.0002366400000000, 0.0000699500000000, -0.0007733000000000 ] - [ -0.0001369100000000, -0.0022748700000000, -0.0077835200000000 ] - [ 0.0004329000000000, -0.0001729800000000, -0.0011755100000000 ] - [ 0.0001816200000000, -0.0012569500000000, -0.0043638700000000 ] - [ -0.0015243100000000, 0.0013780000000000, -0.0007993900000000 ] - [ 0.0015720800000000, 0.0003653500000000, 0.0005360500000000 ] - [ 0.0002037600000000, -0.0004573300000000, -0.0019317600000000 ] - [ 0.0000648200000000, -0.0004864900000000, -0.0013969200000000 ] - [ -0.0010847800000000, -0.0007363600000000, -0.0018287500000000 ] - [ 0.0001393600000000, -0.0012580400000000, -0.0034969000000000 ] - [ 0.0022439700000000, -0.0008677700000000, -0.0030907600000000 ] - [ -0.0007819000000000, -0.0001072900000000, -0.0016226700000000 ] - [ -0.0021398900000000, -0.0001507200000000, -0.0003301200000000 ] - [ 0.0027916600000000, -0.0004678200000000, -0.0005703800000000 ] - [ -0.0002975400000000, -0.0000484900000000, -0.0009552500000000 ] - [ -0.0007911800000000, -0.0000144100000000, -0.0013396400000000 ] - [ -0.0031788500000000, 0.0003470500000000, -0.0028427600000000 ] - [ 0.0018482500000000, 0.0001734500000000, -0.0024536200000000 ] - [ -0.0003912100000000, -0.0001143500000000, -0.0021220500000000 ] - [ -0.0008447300000000, -0.0006840000000000, -0.0057780000000000 ] - [ -0.0000514800000000, 0.0001869100000000, -0.0026812200000000 ] - [ 0.0010539700000000, 0.0002954800000000, -0.0018883700000000 ] - [ -0.0006253100000000, -0.0002883100000000, -0.0032759900000000 ] - [ -0.0007406300000000, -0.0003346000000000, -0.0021589000000000 ] - [ -0.0012881500000000, 0.0002107300000000, -0.0012657500000000 ] - [ 0.0036387000000000, 0.0005109000000000, -0.0071936100000000 ] - [ 0.0001437400000000, -0.0009384300000000, 0.0025335500000000 ] - [ -0.0001235300000000, -0.0000667400000000, 0.0008955900000000 ] - [ -0.0001312200000000, 0.0000194400000000, -0.0004102800000000 ] - [ -0.0001372900000000, 0.0043490200000000, 0.0079986500000000 ] - [ -0.0009105100000000, -0.0008077600000000, 0.0017443000000000 ] - [ 0.0011852900000000, -0.0009687400000000, 0.0015657900000000 ] - [ -0.0006204200000000, 0.0004505100000000, 0.0016026700000000 ] - [ 0.0007766700000000, 0.0005083600000000, 0.0017434900000000 ] - [ 0.0017297500000000, -0.0003078800000000, 0.0029042000000000 ] - [ -0.0019266300000000, 0.0038254600000000, 0.0124029500000000 ] - [ 0.0041764700000000, -0.0002750500000000, 0.0040829400000000 ] - [ -0.0035996800000000, -0.0000956300000000, 0.0106945500000000 ] - [ 0.0032725500000000, 0.0012083400000000, 0.0040198200000000 ] - [ -0.0036658600000000, 0.0007747600000000, 0.0014912300000000 ] - [ 0.0002462300000000, -0.0003525700000000, 0.0052968500000000 ] - [ -0.0002253000000000, -0.0002313300000000, 0.0036427800000000 ] - [ 0.0151003100000000, -0.0016619500000000, -0.7246762400000000 ] - [ -0.0006349300000000, 0.0013975500000000, -0.0134977200000000 ] - [ -0.0076544400000000, -0.0069658500000000, -0.0153640700000000 ] - [ 0.0079640400000000, -0.0036543800000000, -0.0153674100000000 ] - [ 0.0000570800000000, 0.0002233400000000, 0.0055527100000000 ] - [ 0.0000952800000000, 0.0002108700000000, 0.0060361400000000 ] - [ -0.0002582800000000, 0.0001795900000000, 0.0054127400000000 ] - [ 0.0005917200000000, 0.0001584500000000, 0.0057379300000000 ] - [ -0.0003205300000000, -0.0000008500000000, 0.0019034500000000 ] - [ -0.0000921800000000, -0.0000015300000000, 0.0019083100000000 ] - [ -0.0001266500000000, -0.0002932800000000, 0.0022917800000000 ] - [ 0.0000688700000000, -0.0003023300000000, 0.0025468700000000 ] - [ -0.0103992000000000, 0.0029112200000000, 0.0008005400000000 ] - [ 0.0103583300000000, 0.0043217400000000, 0.0010834600000000 ] - [ 0.0012087200000000, 0.0001269100000000, -0.0069831600000000 ] - [ -0.0002033700000000, -0.0004895200000000, -0.0038884500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004644100000000, 0.0129987200000000, -0.0155598200000000 ] - [ -0.0003260300000000, -0.0005564100000000, 0.0018406800000000 ] - [ -0.0055233900000000, -0.0039530600000000, 0.0043520800000000 ] - [ 0.0082498900000000, -0.0027339900000000, 0.0057557000000000 ] - [ 0.0000600500000000, -0.0001932900000000, -0.0019199100000000 ] - [ 0.0000419100000000, -0.0002328800000000, -0.0023215400000000 ] - [ 0.0001541800000000, -0.0000157900000000, -0.0017138700000000 ] - [ 0.0003719400000000, 0.0001264300000000, -0.0018577900000000 ] - [ 0.0006522300000000, -0.0014369700000000, -0.0004885200000000 ] - [ 0.0001328700000000, -0.0003119700000000, 0.0002079100000000 ] - [ -0.0062166000000000, 0.0013530800000000, -0.0012333700000000 ] - [ 0.0083520100000000, 0.0040863100000000, -0.0022971900000000 ] - [ -0.0001543400000000, -0.0000380300000000, -0.0021420600000000 ] - [ -0.0000960600000000, 0.0001448000000000, -0.0029407400000000 ] - [ -0.0002350000000000, -0.0002803100000000, -0.0014240800000000 ] - [ 0.0001501000000000, -0.0005368900000000, -0.0013608200000000 ] - [ -0.0015549700000000, 0.0002251000000000, 0.0019659800000000 ] - [ -0.0011141500000000, 0.0001993000000000, 0.0017230300000000 ] - [ -0.0002225700000000, 0.0000357900000000, 0.0017992300000000 ] - [ -0.0001840100000000, 0.0000455700000000, 0.0019323000000000 ] - [ -0.0021317600000000, -0.0008202400000000, -0.0029448200000000 ] - [ 0.0064303300000000, -0.0039220200000000, -0.0027607300000000 ] - [ -0.0579286700000000, 0.0049625500000000, -0.1002003000000000 ] - [ -0.0031344900000000, 0.0003799600000000, -0.0056637900000000 ] - [ -0.0007721000000000, -0.0000081200000000, 0.0031799300000000 ] - [ -0.0006988500000000, -0.0000043800000000, 0.0033883100000000 ] - [ -0.0003700700000000, 0.0007935400000000, 0.0043403900000000 ] - [ -0.0003827400000000, 0.0007643100000000, 0.0040283500000000 ] - [ -0.0000135100000000, -0.0004474700000000, -0.0092756200000000 ] - [ 0.0000876700000000, 0.0006912000000000, -0.0111306700000000 ] - [ -0.0000297200000000, 0.0010974200000000, -0.0095497200000000 ] - [ -0.0234250800000000, 0.0359751700000000, -0.3819707400000000 ] - [ 0.0003826900000000, 0.0012663200000000, 0.0020780000000000 ] - [ 0.0007184900000000, 0.0013618500000000, 0.0023482000000000 ] - [ -0.0002351200000000, -0.0001984300000000, 0.0014500100000000 ] - [ -0.0002968200000000, -0.0002342400000000, 0.0012976400000000 ] - [ -0.0018691700000000, 0.0013350400000000, -0.0035656800000000 ] - [ 0.0013660200000000, 0.0015621100000000, -0.0036056700000000 ] - [ 0.0015608900000000, -0.0001546200000000, -0.0028000900000000 ] - [ 0.0419404500000000, 0.0701260300000000, -0.1112363000000000 ] - [ -0.0000175500000000, -0.0013825600000000, 0.0023615500000000 ] - [ 0.0003607500000000, -0.0014596900000000, 0.0026493200000000 ] - [ -0.0005390100000000, 0.0000578600000000, 0.0018100000000000 ] - [ -0.0006101700000000, 0.0001261200000000, 0.0016048800000000 ] - [ -0.0073675100000000, -0.0090875200000000, -0.0020629900000000 ] - [ 0.0023998400000000, -0.0039447100000000, -0.0031448800000000 ] - [ 0.0011870300000000, 0.0002553500000000, -0.0030786700000000 ] - [ 0.0502578700000000, -0.1036307000000000, -0.1479782700000000 ] - [ 0.0011717000000000, -0.0012097200000000, 0.0018261400000000 ] - [ 0.0000863100000000, -0.0018654400000000, 0.0037446900000000 ] - [ -0.0001719200000000, -0.0006414900000000, 0.0026165500000000 ] - [ -0.0000416800000000, -0.0005223700000000, 0.0020165800000000 ] - [ 0.0027214800000000, 0.0027051300000000, 0.0016381500000000 ] - [ -0.0020196800000000, 0.0008655800000000, 0.0000093200000000 ] - [ -0.0005583400000000, 0.0000923300000000, 0.0004194900000000 ] - [ -0.0001816400000000, 0.0024411100000000, 0.0074367900000000 ] - [ -0.0002174400000000, -0.0001104200000000, 0.0008536800000000 ] - [ 0.0000361500000000, 0.0009754900000000, 0.0040463700000000 ] - [ 0.0017384400000000, -0.0010919100000000, 0.0011339800000000 ] - [ -0.0013469700000000, -0.0000836500000000, -0.0001991500000000 ] - [ -0.0004190600000000, 0.0001682500000000, 0.0022426900000000 ] - [ -0.0002810400000000, 0.0002004000000000, 0.0017073800000000 ] - [ 0.0008609100000000, 0.0010180300000000, 0.0015113400000000 ] - [ -0.0003521700000000, 0.0015291200000000, 0.0031590700000000 ] - [ -0.0010518600000000, 0.0006120000000000, 0.0025989400000000 ] - [ 0.0019683000000000, -0.0001481300000000, 0.0011275900000000 ] - [ 0.0033233500000000, 0.0004061700000000, 0.0008263600000000 ] - [ -0.0015886700000000, 0.0007234200000000, 0.0010741600000000 ] - [ -0.0008942800000000, -0.0002073900000000, 0.0014392300000000 ] - [ -0.0004029600000000, -0.0002422900000000, 0.0018245400000000 ] - [ 0.0019544400000000, -0.0000897300000000, 0.0023328300000000 ] - [ -0.0030128100000000, 0.0000826100000000, 0.0019507100000000 ] - [ 0.0007990600000000, -0.0004671300000000, 0.0025026600000000 ] - [ 0.0012518200000000, 0.0001009400000000, 0.0061585700000000 ] - [ 0.0004563000000000, 0.0003932600000000, 0.0022959500000000 ] - [ -0.0006454900000000, 0.0002873900000000, 0.0015109500000000 ] - [ 0.0002138800000000, -0.0002960100000000, 0.0028752300000000 ] - [ 0.0003279800000000, -0.0002487500000000, 0.0017563300000000 ] - [ 0.0008635300000000, 0.0003721400000000, 0.0016537100000000 ] - [ -0.0039979200000000, 0.0000757200000000, 0.0075136800000000 ] - [ -0.0001740100000000, 0.0010668800000000, -0.0023316900000000 ] - [ 0.0000892600000000, 0.0002065500000000, -0.0007085400000000 ] - [ 0.0001649400000000, 0.0001304200000000, 0.0002061000000000 ] - [ 0.0001756000000000, -0.0041337200000000, -0.0081050300000000 ] - [ 0.0009450400000000, 0.0006622500000000, -0.0015486400000000 ] - [ -0.0011527400000000, 0.0008235300000000, -0.0013652900000000 ] - [ 0.0005879500000000, -0.0005957100000000, -0.0017884700000000 ] - [ -0.0008115900000000, -0.0006540100000000, -0.0019274500000000 ] - [ -0.0017967800000000, 0.0002976200000000, -0.0028671700000000 ] - [ 0.0018601200000000, -0.0038362200000000, -0.0123736100000000 ] - [ -0.0040590200000000, 0.0002844100000000, -0.0040548800000000 ] - [ 0.0036315200000000, 0.0001064100000000, -0.0105829900000000 ] - [ -0.0033329100000000, -0.0011891000000000, -0.0040465800000000 ] - [ 0.0035808100000000, -0.0007676600000000, -0.0015406600000000 ] - [ -0.0001764900000000, 0.0003411400000000, -0.0052971800000000 ] - [ 0.0002978700000000, 0.0002207000000000, -0.0036419400000000 ] - [ -0.0099715300000000, -0.0052801600000000, 0.7520044100000000 ] - [ 0.0003454000000000, -0.0013602300000000, 0.0129286700000000 ] - [ 0.0073686500000000, 0.0069559900000000, 0.0159765600000000 ] - [ -0.0082419300000000, 0.0036010600000000, 0.0159729700000000 ] - [ 0.0002337700000000, -0.0001802800000000, -0.0049774700000000 ] - [ 0.0001953500000000, -0.0001682400000000, -0.0054589700000000 ] - [ 0.0005512100000000, -0.0002207300000000, -0.0059567300000000 ] - [ -0.0003005200000000, -0.0001999700000000, -0.0062804900000000 ] - [ 0.0000777200000000, 0.0002944300000000, -0.0022252800000000 ] - [ -0.0001511000000000, 0.0002952800000000, -0.0022299000000000 ] - [ -0.0001169000000000, -0.0000013600000000, -0.0019561500000000 ] - [ -0.0003104300000000, 0.0000078200000000, -0.0022091300000000 ] - [ 0.0107096300000000, -0.0026430000000000, -0.0005004400000000 ] - [ -0.0101673200000000, -0.0040417900000000, -0.0007650200000000 ] - [ -0.0009618700000000, -0.0004283900000000, 0.0066147800000000 ] - [ 0.0004484700000000, 0.0001957700000000, 0.0035468700000000 ]- atom: 105 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001316200000000, 0.0000017900000000, -0.0001382400000000 ] - [ -0.0001194100000000, -0.0000327800000000, 0.0003964700000000 ] - [ -0.0001643200000000, 0.0000424700000000, -0.0002034400000000 ] - [ -0.0000957600000000, 0.0000290100000000, -0.0001919600000000 ] - [ 0.0019196500000000, 0.0032230300000000, 0.0004035900000000 ] - [ 0.0021287300000000, -0.0031222800000000, -0.0005137500000000 ] - [ -0.0013914600000000, 0.0002079600000000, 0.0000905200000000 ] - [ 0.0013405100000000, -0.0001508300000000, 0.0001799600000000 ] - [ 0.0002088800000000, -0.0001536700000000, -0.0002783500000000 ] - [ 0.0001371700000000, 0.0001399300000000, 0.0009027000000000 ] - [ 0.0000926300000000, -0.0000313800000000, -0.0004225800000000 ] - [ 0.0001838900000000, -0.0000085800000000, -0.0003908400000000 ] - [ 0.0004746600000000, -0.0018749900000000, 0.0003400600000000 ] - [ 0.0008307000000000, 0.0017167200000000, -0.0005901200000000 ] - [ -0.0016350100000000, -0.0002592500000000, 0.0003842700000000 ] - [ 0.0010050000000000, 0.0001616100000000, 0.0003155300000000 ] - [ 0.0028685700000000, -0.0000981300000000, -0.0003904000000000 ] - [ -0.0028521400000000, 0.0000827900000000, 0.0001175300000000 ] - [ 0.0010490800000000, -0.0003911400000000, 0.0022836800000000 ] - [ -0.0038342100000000, -0.0000628300000000, -0.0017688100000000 ] - [ 0.0011108900000000, 0.0001053200000000, -0.0000952600000000 ] - [ 0.0003088200000000, 0.0000576100000000, 0.0003245400000000 ] - [ 0.0007769200000000, -0.0000894900000000, -0.0000298700000000 ] - [ 0.0006838800000000, -0.0000811600000000, -0.0000851000000000 ] - [ 0.0009364200000000, -0.0001418100000000, 0.0001281200000000 ] - [ -0.0014643400000000, -0.0003806200000000, -0.0006410600000000 ] - [ 0.0047069500000000, -0.0018983200000000, -0.0002175200000000 ] - [ 0.0008445100000000, 0.0006582400000000, 0.0031963200000000 ] - [ 0.0006561800000000, -0.0003935200000000, 0.0006521700000000 ] - [ 0.0004125800000000, -0.0003998900000000, 0.0005916100000000 ] - [ 0.0005322600000000, 0.0003962900000000, -0.0006084000000000 ] - [ 0.0005477500000000, 0.0003673800000000, -0.0003949500000000 ] - [ 0.0027845200000000, -0.0006812100000000, 0.0008908100000000 ] - [ -0.0012181500000000, 0.0001182300000000, 0.0000738800000000 ] - [ 0.0000361300000000, -0.0010485300000000, -0.0032108500000000 ] - [ -0.0011136400000000, 0.0001746400000000, 0.0016769100000000 ] - [ 0.0001443700000000, 0.0007328300000000, -0.0001565500000000 ] - [ -0.0003738300000000, 0.0008647500000000, -0.0004835500000000 ] - [ -0.0001240300000000, -0.0007977300000000, 0.0003613500000000 ] - [ -0.0001471000000000, -0.0008233100000000, 0.0004075000000000 ] - [ 0.0023678900000000, -0.0002144800000000, 0.0006885000000000 ] - [ -0.0016958200000000, -0.0002303000000000, 0.0001105400000000 ] - [ 0.0004271800000000, 0.0024043700000000, -0.0027856500000000 ] - [ -0.0013120400000000, -0.0007420600000000, 0.0020474700000000 ] - [ 0.0005312100000000, -0.0007414600000000, -0.0001170900000000 ] - [ -0.0000375300000000, -0.0008352600000000, -0.0004440100000000 ] - [ 0.0002352000000000, 0.0007860300000000, 0.0003293400000000 ] - [ 0.0002139200000000, 0.0008136400000000, 0.0003764000000000 ] - [ 0.0005814700000000, -0.0002563600000000, 0.0001116700000000 ] - [ -0.0002484400000000, 0.0000590300000000, -0.0003588500000000 ] - [ 0.0004348400000000, -0.0001876100000000, 0.0017888900000000 ] - [ -0.0013611600000000, -0.0003196000000000, -0.0013345100000000 ] - [ -0.0000803500000000, -0.0000673600000000, 0.0001541800000000 ] - [ -0.0002246900000000, -0.0000466900000000, 0.0002849100000000 ] - [ -0.0000855600000000, 0.0000410300000000, -0.0005517000000000 ] - [ -0.0002717300000000, 0.0000619800000000, 0.0001662900000000 ] - [ 0.0001736900000000, -0.0001673500000000, -0.0005170100000000 ] - [ -0.0000140300000000, -0.0000655100000000, 0.0001699200000000 ] - [ 0.0001902000000000, 0.0001407300000000, 0.0001241000000000 ] - [ 0.0000333700000000, 0.0001189300000000, 0.0002588100000000 ] - [ 0.0012855800000000, 0.0010871800000000, 0.0004230500000000 ] - [ -0.0016897000000000, -0.0002139500000000, -0.0017231100000000 ] - [ 0.0003159800000000, 0.0002812500000000, 0.0001020200000000 ] - [ -0.0004905600000000, 0.0000226800000000, -0.0003194400000000 ] - [ 0.0008838500000000, -0.0001378900000000, -0.0000024900000000 ] - [ 0.0002286500000000, -0.0001229100000000, -0.0004786300000000 ] - [ 0.0008723700000000, 0.0001321800000000, 0.0003118400000000 ] - [ 0.0003309800000000, 0.0001248100000000, 0.0002336100000000 ] - [ 0.0003946800000000, -0.0001515700000000, 0.0002199300000000 ] - [ -0.0036452900000000, -0.0000150300000000, 0.0012220000000000 ] - [ -0.0000215700000000, 0.0001320600000000, -0.0002970400000000 ] - [ -0.0011380900000000, 0.0001070900000000, -0.0001461000000000 ] - [ 0.0002059200000000, -0.0001572500000000, -0.0005079000000000 ] - [ 0.0000059600000000, -0.0003998000000000, 0.0007138800000000 ] - [ 0.0005675100000000, 0.0002985500000000, -0.0004020800000000 ] - [ -0.0001262200000000, 0.0002909100000000, 0.0000763400000000 ] - [ 0.0002155200000000, 0.0000052300000000, 0.0028927800000000 ] - [ -0.0011313200000000, -0.0004992700000000, -0.0022351300000000 ] - [ -0.0000939200000000, 0.0002994400000000, 0.0003791900000000 ] - [ -0.0003387200000000, 0.0002865400000000, 0.0001689200000000 ] - [ -0.0000126500000000, -0.0000493500000000, 0.0004970700000000 ] - [ 0.0000036800000000, 0.0001851200000000, -0.0003521600000000 ] - [ 0.0000208800000000, 0.0000419700000000, -0.0002636000000000 ] - [ 0.0000242500000000, 0.0001190500000000, 0.0000304500000000 ] - [ -0.0013348500000000, -0.0000606700000000, 0.0000023900000000 ] - [ 0.0010385700000000, -0.0000604800000000, 0.0001744000000000 ] - [ -0.0016655300000000, -0.0000314400000000, 0.0000716000000000 ] - [ 0.0011227400000000, -0.0001321100000000, -0.0000600400000000 ] - [ 0.0003499300000000, 0.0000167400000000, 0.0010076500000000 ] - [ -0.0002220200000000, -0.0000257200000000, -0.0008908100000000 ] - [ -0.0008461700000000, 0.0000214300000000, -0.0004248500000000 ] - [ 0.0008504200000000, 0.0000083400000000, 0.0002306800000000 ] - [ -0.0004531400000000, 0.0000034400000000, 0.0001372100000000 ] - [ 0.0003710600000000, -0.0000005100000000, -0.0003191300000000 ] - [ 0.0062758500000000, -0.0008368400000000, -0.0095222000000000 ] - [ 0.0037156700000000, 0.0008074000000000, 0.0062087500000000 ] - [ -0.0001823500000000, 0.0000374800000000, -0.0004806700000000 ] - [ -0.0001083000000000, 0.0000128600000000, -0.0002520900000000 ] - [ -0.0008760500000000, -0.0000323700000000, 0.0000921500000000 ] - [ 0.0005608200000000, -0.0000012900000000, 0.0002862300000000 ] - [ 0.0028107800000000, 0.0012360300000000, -0.0103020800000000 ] - [ 0.0047187100000000, -0.0018739200000000, 0.0105221700000000 ] - [ -0.0063943800000000, -0.0009774800000000, -0.0013571800000000 ] - [ 0.0035958800000000, 0.0000618600000000, 0.0000409200000000 ] - [ -0.0255289000000000, 0.0035912400000000, 0.0009620900000000 ] - [ 0.0029836400000000, 0.0001349900000000, -0.0001866000000000 ] - [ 0.0000743000000000, -0.0006118500000000, -0.0004406100000000 ] - [ 0.0000799600000000, 0.0003465300000000, 0.0006698200000000 ] - [ -0.0000790500000000, 0.0001413000000000, 0.0001478900000000 ] - [ 0.0003193500000000, 0.0001471100000000, 0.0001297000000000 ] - [ 0.0001283400000000, -0.0001472300000000, -0.0002114800000000 ] - [ 0.0001126600000000, -0.0001526800000000, -0.0001874200000000 ]- atom: 105 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001314800000000, -0.0000653100000000, 0.0004717300000000 ] - [ -0.0001433400000000, -0.0000303700000000, -0.0000631900000000 ] - [ -0.0000969500000000, 0.0000216700000000, -0.0001299500000000 ] - [ -0.0001659400000000, 0.0000351300000000, -0.0001421800000000 ] - [ -0.0016563400000000, -0.0032575000000000, -0.0007343000000000 ] - [ -0.0018733600000000, 0.0030893900000000, 0.0001838800000000 ] - [ 0.0016551900000000, -0.0001431100000000, 0.0002529300000000 ] - [ -0.0010801300000000, 0.0002163900000000, 0.0001529900000000 ] - [ 0.0000656100000000, 0.0001949100000000, 0.0010249300000000 ] - [ 0.0001361700000000, -0.0000988700000000, -0.0001551600000000 ] - [ 0.0001860900000000, -0.0000095400000000, -0.0003246500000000 ] - [ 0.0000945100000000, -0.0000335700000000, -0.0003558200000000 ] - [ -0.0007605900000000, 0.0019033000000000, -0.0010843400000000 ] - [ -0.0011002000000000, -0.0016866400000000, -0.0001516100000000 ] - [ 0.0013595600000000, 0.0002195200000000, 0.0003678000000000 ] - [ -0.0012827600000000, -0.0002011200000000, 0.0004289600000000 ] - [ -0.0043415800000000, 0.0002631400000000, 0.0002178300000000 ] - [ 0.0014055100000000, 0.0000854600000000, -0.0002898000000000 ] - [ -0.0024622100000000, 0.0002281700000000, -0.0021083700000000 ] - [ 0.0023819200000000, -0.0001097200000000, 0.0019400800000000 ] - [ 0.0003385800000000, 0.0000625300000000, 0.0002688900000000 ] - [ 0.0011389600000000, 0.0001095300000000, -0.0001525600000000 ] - [ 0.0006653000000000, -0.0000777900000000, -0.0001438900000000 ] - [ 0.0007683700000000, -0.0000861000000000, -0.0000854900000000 ] - [ -0.0020181100000000, -0.0006398100000000, -0.0012456100000000 ] - [ 0.0003911700000000, -0.0003959900000000, -0.0004580100000000 ] - [ -0.0060995500000000, 0.0028265300000000, 0.0011552500000000 ] - [ -0.0017438700000000, 0.0001816600000000, -0.0021753100000000 ] - [ 0.0004189400000000, -0.0003832700000000, 0.0004543300000000 ] - [ 0.0006618600000000, -0.0003778200000000, 0.0005180800000000 ] - [ 0.0005410200000000, 0.0003817100000000, -0.0005009200000000 ] - [ 0.0005273800000000, 0.0004094700000000, -0.0007094700000000 ] - [ -0.0025524900000000, 0.0022655000000000, -0.0001870700000000 ] - [ 0.0014769300000000, 0.0014871600000000, 0.0006355500000000 ] - [ 0.0002083100000000, -0.0005437200000000, 0.0025172900000000 ] - [ 0.0013734100000000, -0.0017776400000000, -0.0023750400000000 ] - [ -0.0004017400000000, 0.0008699300000000, -0.0005524400000000 ] - [ 0.0001178600000000, 0.0007350400000000, -0.0002263400000000 ] - [ -0.0001323300000000, -0.0008010300000000, 0.0003483800000000 ] - [ -0.0001068100000000, -0.0007742800000000, 0.0003008900000000 ] - [ -0.0028379100000000, -0.0013763400000000, -0.0000541000000000 ] - [ 0.0012397500000000, -0.0013545700000000, 0.0005279300000000 ] - [ -0.0008897600000000, -0.0008310100000000, 0.0021601400000000 ] - [ 0.0008540300000000, 0.0023178800000000, -0.0026776300000000 ] - [ -0.0000754600000000, -0.0008466600000000, -0.0005245500000000 ] - [ 0.0004967700000000, -0.0007464500000000, -0.0001952700000000 ] - [ 0.0002237600000000, 0.0007936100000000, 0.0003087100000000 ] - [ 0.0002445100000000, 0.0007693500000000, 0.0002635000000000 ] - [ -0.0002622400000000, 0.0000972100000000, -0.0004677400000000 ] - [ 0.0005666900000000, -0.0002130400000000, 0.0000030800000000 ] - [ -0.0001761500000000, 0.0003766800000000, -0.0013879700000000 ] - [ 0.0016821900000000, 0.0004767100000000, 0.0016684400000000 ] - [ -0.0002374400000000, -0.0000839200000000, 0.0002051800000000 ] - [ -0.0000942700000000, -0.0001088100000000, 0.0000704400000000 ] - [ -0.0002295200000000, 0.0001122000000000, 0.0001945000000000 ] - [ -0.0000462400000000, 0.0000910100000000, -0.0005240000000000 ] - [ 0.0000418100000000, -0.0001179700000000, 0.0002004100000000 ] - [ 0.0002282700000000, -0.0002172300000000, -0.0004897100000000 ] - [ 0.0000250900000000, 0.0001386600000000, 0.0001980800000000 ] - [ 0.0001842500000000, 0.0001584300000000, 0.0000645000000000 ] - [ -0.0015986600000000, -0.0014059600000000, 0.0000043400000000 ] - [ 0.0014789800000000, -0.0000741100000000, 0.0020187200000000 ] - [ -0.0005290800000000, 0.0000068000000000, -0.0004207400000000 ] - [ 0.0002754600000000, 0.0002593900000000, 0.0000003200000000 ] - [ 0.0003019300000000, -0.0001160400000000, -0.0004878900000000 ] - [ 0.0009589600000000, -0.0001300000000000, -0.0000128200000000 ] - [ 0.0003147600000000, 0.0001220500000000, 0.0001810700000000 ] - [ 0.0008577400000000, 0.0001307500000000, 0.0002589000000000 ] - [ -0.0015344900000000, -0.0000989500000000, 0.0003199600000000 ] - [ 0.0024423300000000, -0.0002382700000000, -0.0007344300000000 ] - [ -0.0011706900000000, 0.0001213900000000, -0.0001958500000000 ] - [ -0.0000486500000000, 0.0001469300000000, -0.0003453400000000 ] - [ 0.0002129600000000, -0.0004231100000000, 0.0009151800000000 ] - [ 0.0004047800000000, -0.0001809800000000, -0.0003137600000000 ] - [ -0.0001532800000000, 0.0002827500000000, -0.0000072000000000 ] - [ 0.0005389900000000, 0.0002914800000000, -0.0004790400000000 ] - [ -0.0006309200000000, -0.0005851800000000, -0.0033022300000000 ] - [ 0.0007329300000000, -0.0000832500000000, 0.0018281500000000 ] - [ -0.0003178400000000, 0.0002808300000000, 0.0000172900000000 ] - [ -0.0000741100000000, 0.0002948000000000, 0.0002353700000000 ] - [ -0.0000207400000000, 0.0001961500000000, -0.0003075800000000 ] - [ -0.0000395900000000, -0.0000391500000000, 0.0005412800000000 ] - [ 0.0000133500000000, 0.0001038800000000, 0.0000746300000000 ] - [ 0.0000107200000000, 0.0000262800000000, -0.0002218100000000 ] - [ 0.0013708000000000, -0.0000833700000000, 0.0001809900000000 ] - [ -0.0010036800000000, -0.0000857900000000, 0.0000217900000000 ] - [ 0.0016327500000000, -0.0001202700000000, -0.0002737500000000 ] - [ -0.0011558700000000, -0.0000116200000000, -0.0001298800000000 ] - [ -0.0004265900000000, -0.0000270300000000, -0.0009937400000000 ] - [ 0.0001561800000000, 0.0000158300000000, 0.0009109300000000 ] - [ 0.0009191700000000, -0.0000108300000000, 0.0004458700000000 ] - [ -0.0007814600000000, 0.0000016700000000, -0.0002148300000000 ] - [ 0.0003824200000000, 0.0000070100000000, -0.0001551900000000 ] - [ -0.0004422400000000, 0.0000115500000000, 0.0002999200000000 ] - [ -0.0062125700000000, 0.0008155900000000, 0.0095645100000000 ] - [ -0.0036973300000000, -0.0008108200000000, -0.0061551300000000 ] - [ -0.0001088700000000, 0.0000039500000000, -0.0000812700000000 ] - [ -0.0001851600000000, 0.0000292100000000, -0.0003096100000000 ] - [ 0.0005841700000000, -0.0000093700000000, 0.0004696200000000 ] - [ -0.0008529900000000, -0.0000404700000000, 0.0002751600000000 ] - [ -0.0025274800000000, -0.0011687800000000, 0.0108061200000000 ] - [ -0.0044539000000000, 0.0019392300000000, -0.0100055500000000 ] - [ 0.0067370900000000, 0.0009557200000000, 0.0008155400000000 ] - [ -0.0033077100000000, -0.0001066300000000, -0.0006090200000000 ] - [ 0.0256252400000000, -0.0035671100000000, -0.0012685200000000 ] - [ -0.0032273400000000, 0.0001608800000000, -0.0001426700000000 ] - [ -0.0003232100000000, 0.0003153300000000, 0.0007703200000000 ] - [ -0.0003175000000000, -0.0006427000000000, -0.0003404600000000 ] - [ 0.0003217200000000, 0.0001527400000000, 0.0001814900000000 ] - [ -0.0000768800000000, 0.0001470300000000, 0.0001999100000000 ] - [ 0.0001147300000000, -0.0001467600000000, -0.0001185500000000 ] - [ 0.0001297100000000, -0.0001413200000000, -0.0001426500000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001304100000000, -0.0000425200000000, 0.0001134400000000 ] - [ -0.0001426500000000, -0.0000437500000000, 0.0001063500000000 ] - [ -0.0001254400000000, 0.0000262200000000, -0.0002150500000000 ] - [ -0.0001256300000000, 0.0000256100000000, -0.0002227900000000 ] - [ 0.0027794400000000, 0.0018533200000000, 0.0002631500000000 ] - [ -0.0023891200000000, 0.0019620600000000, 0.0002700800000000 ] - [ 0.0001856300000000, 0.0010001200000000, -0.0009638500000000 ] - [ 0.0001843300000000, 0.0002764600000000, 0.0001563100000000 ] - [ 0.0001311900000000, 0.0000270600000000, 0.0003710900000000 ] - [ 0.0001347300000000, 0.0000322100000000, 0.0003498100000000 ] - [ 0.0001461600000000, 0.0000012400000000, -0.0004073600000000 ] - [ 0.0001432800000000, -0.0000047500000000, -0.0004221300000000 ] - [ -0.0018414600000000, 0.0015496900000000, -0.0013677300000000 ] - [ 0.0010488500000000, 0.0010165600000000, -0.0009575900000000 ] - [ -0.0002342800000000, -0.0005550000000000, 0.0005765700000000 ] - [ -0.0001068500000000, -0.0001467600000000, 0.0002476700000000 ] - [ -0.0009015300000000, -0.0045268600000000, -0.0001241900000000 ] - [ -0.0004756900000000, -0.0006207800000000, -0.0002018800000000 ] - [ -0.0012808200000000, 0.0010121300000000, 0.0008152400000000 ] - [ -0.0002874700000000, 0.0002551300000000, 0.0009305500000000 ] - [ 0.0007174300000000, 0.0000914800000000, 0.0001331600000000 ] - [ 0.0007165800000000, 0.0000850400000000, 0.0001289200000000 ] - [ 0.0007313700000000, -0.0000869100000000, -0.0000430800000000 ] - [ 0.0007486200000000, -0.0000874700000000, -0.0000355800000000 ] - [ -0.0006645100000000, -0.0048286600000000, -0.0013901100000000 ] - [ -0.0004994500000000, -0.0007061600000000, -0.0008207000000000 ] - [ -0.0025268800000000, 0.0026716900000000, 0.0008808800000000 ] - [ -0.0005509100000000, 0.0017207300000000, 0.0011990300000000 ] - [ 0.0005342600000000, -0.0003889400000000, 0.0006549000000000 ] - [ 0.0005339100000000, -0.0003950200000000, 0.0006510500000000 ] - [ 0.0005430800000000, 0.0003784400000000, -0.0004526100000000 ] - [ 0.0005384400000000, 0.0003779800000000, -0.0004526700000000 ] - [ -0.0036412900000000, 0.0034916900000000, -0.0009891600000000 ] - [ -0.0002378500000000, 0.0003090300000000, 0.0001740000000000 ] - [ -0.0007566600000000, 0.0011672500000000, -0.0000104600000000 ] - [ -0.0003570600000000, 0.0004047200000000, 0.0001023600000000 ] - [ -0.0001212700000000, 0.0008033900000000, -0.0003164200000000 ] - [ -0.0001166500000000, 0.0007866800000000, -0.0003119800000000 ] - [ -0.0001343000000000, -0.0008149500000000, 0.0003968000000000 ] - [ -0.0001404200000000, -0.0008161400000000, 0.0004000900000000 ] - [ 0.0018237600000000, -0.0036369600000000, 0.0027783500000000 ] - [ 0.0001179800000000, -0.0013833600000000, 0.0003560000000000 ] - [ 0.0000181100000000, 0.0009329800000000, 0.0004751700000000 ] - [ -0.0006039600000000, 0.0003538300000000, 0.0002200000000000 ] - [ 0.0002308500000000, -0.0007447100000000, -0.0002473200000000 ] - [ 0.0002408800000000, -0.0007622600000000, -0.0002636500000000 ] - [ 0.0002230400000000, 0.0008114500000000, 0.0003700000000000 ] - [ 0.0002156700000000, 0.0008131700000000, 0.0003733500000000 ] - [ 0.0001705000000000, -0.0003465000000000, -0.0000911100000000 ] - [ 0.0001607400000000, -0.0002057100000000, -0.0001343600000000 ] - [ 0.0007774100000000, 0.0039844500000000, -0.0009357100000000 ] - [ -0.0002484100000000, 0.0010649700000000, -0.0008219600000000 ] - [ -0.0001460800000000, -0.0000172200000000, 0.0002746500000000 ] - [ -0.0001487100000000, -0.0000275600000000, 0.0002758300000000 ] - [ -0.0001032100000000, 0.0000325100000000, -0.0000911300000000 ] - [ -0.0001629900000000, 0.0000493000000000, -0.0001039200000000 ] - [ 0.0000460000000000, -0.0003247700000000, -0.0000175500000000 ] - [ 0.0000684200000000, -0.0002740800000000, -0.0000935800000000 ] - [ 0.0001165200000000, 0.0000954000000000, 0.0002376000000000 ] - [ 0.0001161000000000, 0.0000975100000000, 0.0002470400000000 ] - [ -0.0000305700000000, 0.0041572100000000, 0.0002825800000000 ] - [ 0.0003384700000000, 0.0011604600000000, 0.0011153600000000 ] - [ -0.0001287500000000, -0.0000069900000000, -0.0004223800000000 ] - [ -0.0001465100000000, 0.0001728400000000, -0.0001658100000000 ] - [ 0.0005435400000000, -0.0003437500000000, -0.0001690800000000 ] - [ 0.0006592100000000, -0.0001665200000000, -0.0001673200000000 ] - [ 0.0005967100000000, 0.0001364900000000, 0.0003249800000000 ] - [ 0.0005738300000000, 0.0001360000000000, 0.0003191800000000 ] - [ -0.0004774400000000, 0.0014860400000000, 0.0005276900000000 ] - [ -0.0006374800000000, 0.0015355500000000, 0.0001965700000000 ] - [ -0.0005998500000000, 0.0000359000000000, -0.0002704300000000 ] - [ -0.0005422900000000, 0.0000955500000000, -0.0002459000000000 ] - [ 0.0003131700000000, -0.0007985000000000, 0.0005199100000000 ] - [ 0.0001630000000000, -0.0005407000000000, 0.0003494600000000 ] - [ 0.0001900400000000, 0.0003228100000000, -0.0000161100000000 ] - [ 0.0001626000000000, 0.0002965200000000, -0.0000026900000000 ] - [ -0.0002335600000000, 0.0012507000000000, -0.0001513500000000 ] - [ -0.0002450700000000, 0.0000559500000000, -0.0001625500000000 ] - [ -0.0001951500000000, 0.0002006600000000, 0.0001708500000000 ] - [ -0.0002042400000000, 0.0002795500000000, 0.0002596400000000 ] - [ -0.0000185500000000, 0.0001300200000000, -0.0000290400000000 ] - [ -0.0000230100000000, 0.0001461500000000, -0.0000329100000000 ] - [ -0.0000089600000000, 0.0000328700000000, -0.0001292100000000 ] - [ 0.0000291400000000, 0.0000448700000000, -0.0001211900000000 ] - [ -0.0000194100000000, -0.0001301000000000, -0.0009407900000000 ] - [ 0.0000018800000000, -0.0000952900000000, -0.0000109100000000 ] - [ 0.0000935600000000, 0.0009691900000000, 0.0018389800000000 ] - [ -0.0000464900000000, 0.0000087500000000, 0.0000115400000000 ] - [ -0.0001473700000000, 0.0001737800000000, -0.0003947200000000 ] - [ 0.0000309700000000, 0.0002579000000000, -0.0001968000000000 ] - [ 0.0000786400000000, 0.0004758600000000, 0.0000872400000000 ] - [ -0.0000038700000000, 0.0000906700000000, -0.0000781600000000 ] - [ -0.0000327000000000, -0.0000049600000000, -0.0002754300000000 ] - [ -0.0000030400000000, -0.0000015600000000, -0.0002855800000000 ] - [ -0.0001480000000000, -0.0091552300000000, 0.0004228500000000 ] - [ 0.0002548300000000, -0.0030886300000000, 0.0001201800000000 ] - [ -0.0001319000000000, 0.0000260500000000, -0.0004274900000000 ] - [ -0.0001545900000000, 0.0000259600000000, -0.0004280100000000 ] - [ -0.0001531900000000, -0.0000648100000000, 0.0001254800000000 ] - [ -0.0001533200000000, -0.0000290700000000, 0.0001342600000000 ] - [ 0.0022928600000000, -0.0012469900000000, -0.0024855800000000 ] - [ -0.0005301500000000, -0.0025323700000000, -0.0038799000000000 ] - [ 0.0003439200000000, 0.0231268200000000, -0.0005518000000000 ] - [ -0.0000588100000000, 0.0010743200000000, 0.0000590400000000 ] - [ 0.0033891000000000, -0.0279167500000000, 0.0017433500000000 ] - [ -0.0001336800000000, -0.0003202100000000, 0.0001062100000000 ] - [ -0.0006115000000000, 0.0003782000000000, 0.0007923300000000 ] - [ 0.0003382600000000, 0.0003790400000000, 0.0007495700000000 ] - [ 0.0001267200000000, 0.0001582900000000, 0.0001049800000000 ] - [ 0.0001212000000000, 0.0001497100000000, 0.0001068900000000 ] - [ 0.0001210400000000, -0.0001511800000000, -0.0002250800000000 ] - [ 0.0001154600000000, -0.0001507700000000, -0.0002267000000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001324600000000, -0.0000197200000000, 0.0002203000000000 ] - [ -0.0001194900000000, -0.0000182300000000, 0.0002269900000000 ] - [ -0.0001359800000000, 0.0000383300000000, -0.0001177800000000 ] - [ -0.0001358000000000, 0.0000381800000000, -0.0001120800000000 ] - [ -0.0024836300000000, -0.0019222800000000, -0.0005949000000000 ] - [ 0.0026168000000000, -0.0020364400000000, -0.0006002000000000 ] - [ 0.0000751700000000, -0.0009480100000000, 0.0012812400000000 ] - [ 0.0000761800000000, -0.0002164700000000, 0.0001779000000000 ] - [ 0.0001431500000000, 0.0000118300000000, 0.0003748400000000 ] - [ 0.0001395900000000, 0.0000066800000000, 0.0003965200000000 ] - [ 0.0001321700000000, -0.0000421200000000, -0.0003410200000000 ] - [ 0.0001348900000000, -0.0000370600000000, -0.0003246900000000 ] - [ 0.0015909600000000, -0.0015120900000000, 0.0006343900000000 ] - [ -0.0013395700000000, -0.0009698700000000, 0.0002240000000000 ] - [ -0.0000450400000000, 0.0005211900000000, 0.0001777700000000 ] - [ -0.0001704000000000, 0.0001100800000000, 0.0005017900000000 ] - [ -0.0005214100000000, 0.0047062100000000, -0.0000487300000000 ] - [ -0.0009897600000000, 0.0007903800000000, 0.0000313900000000 ] - [ -0.0001534100000000, -0.0011670100000000, -0.0006545600000000 ] - [ -0.0011717600000000, -0.0004210100000000, -0.0007680700000000 ] - [ 0.0007326400000000, 0.0000761000000000, 0.0000402600000000 ] - [ 0.0007315300000000, 0.0000820000000000, 0.0000436000000000 ] - [ 0.0007121300000000, -0.0000801600000000, -0.0001306400000000 ] - [ 0.0007036800000000, -0.0000796400000000, -0.0001354100000000 ] - [ -0.0004101900000000, 0.0040560500000000, 0.0003171400000000 ] - [ -0.0005763700000000, -0.0000681300000000, -0.0002770600000000 ] - [ 0.0014027300000000, -0.0018843700000000, 0.0001901900000000 ] - [ -0.0005011800000000, -0.0009288200000000, -0.0001139500000000 ] - [ 0.0005408200000000, -0.0003880100000000, 0.0004514000000000 ] - [ 0.0005405800000000, -0.0003825500000000, 0.0004573400000000 ] - [ 0.0005299600000000, 0.0003996000000000, -0.0006581900000000 ] - [ 0.0005368900000000, 0.0003989400000000, -0.0006525000000000 ] - [ 0.0040300500000000, -0.0024695700000000, 0.0017204600000000 ] - [ 0.0004968600000000, 0.0012893200000000, 0.0005352500000000 ] - [ 0.0010054200000000, -0.0027696300000000, -0.0007108600000000 ] - [ 0.0006184100000000, -0.0020101800000000, -0.0008136100000000 ] - [ -0.0001360900000000, 0.0008002300000000, -0.0003927200000000 ] - [ -0.0001398000000000, 0.0008140300000000, -0.0003976100000000 ] - [ -0.0001227100000000, -0.0007843800000000, 0.0003129900000000 ] - [ -0.0001137400000000, -0.0007818300000000, 0.0003081700000000 ] - [ -0.0022478600000000, 0.0023641800000000, -0.0021017200000000 ] - [ -0.0005766600000000, -0.0001928600000000, 0.0002811500000000 ] - [ -0.0004671800000000, 0.0006650500000000, -0.0011198600000000 ] - [ 0.0001495200000000, 0.0012334000000000, -0.0008605800000000 ] - [ 0.0002256700000000, -0.0008441000000000, -0.0003937500000000 ] - [ 0.0002180600000000, -0.0008204400000000, -0.0003751400000000 ] - [ 0.0002357600000000, 0.0007684500000000, 0.0002678800000000 ] - [ 0.0002434100000000, 0.0007692100000000, 0.0002656800000000 ] - [ 0.0001480500000000, 0.0001871400000000, -0.0002576200000000 ] - [ 0.0001565800000000, 0.0000540500000000, -0.0002224500000000 ] - [ -0.0004987300000000, -0.0037893300000000, 0.0013314000000000 ] - [ 0.0005706900000000, -0.0008996700000000, 0.0011745700000000 ] - [ -0.0001705100000000, -0.0001335000000000, 0.0000842800000000 ] - [ -0.0001694400000000, -0.0001275200000000, 0.0000789100000000 ] - [ -0.0002126400000000, 0.0001169500000000, -0.0002719000000000 ] - [ -0.0001523300000000, 0.0001007600000000, -0.0002555000000000 ] - [ 0.0001683600000000, 0.0000433300000000, -0.0003045000000000 ] - [ 0.0001479800000000, -0.0000058800000000, -0.0002271200000000 ] - [ 0.0000992700000000, 0.0001847900000000, 0.0000834700000000 ] - [ 0.0001014300000000, 0.0001812800000000, 0.0000744100000000 ] - [ -0.0002190700000000, -0.0044557100000000, 0.0000745900000000 ] - [ -0.0005489800000000, -0.0014549900000000, -0.0007984300000000 ] - [ -0.0000837200000000, 0.0002941000000000, 0.0001089300000000 ] - [ -0.0000689600000000, 0.0001069100000000, -0.0001539700000000 ] - [ 0.0006439900000000, 0.0000899500000000, -0.0003251200000000 ] - [ 0.0005167900000000, -0.0000866900000000, -0.0003267100000000 ] - [ 0.0005857900000000, 0.0001175500000000, 0.0001664500000000 ] - [ 0.0006100800000000, 0.0001194000000000, 0.0001715300000000 ] - [ -0.0006952200000000, -0.0017430000000000, -0.0000410700000000 ] - [ -0.0005558000000000, -0.0017900600000000, 0.0002958000000000 ] - [ -0.0005853100000000, 0.0002169600000000, -0.0002201700000000 ] - [ -0.0006417700000000, 0.0001583200000000, -0.0002447600000000 ] - [ 0.0000951200000000, 0.0002196900000000, -0.0001303700000000 ] - [ 0.0002522200000000, -0.0000394300000000, 0.0000483400000000 ] - [ 0.0002262400000000, 0.0002582800000000, -0.0003969800000000 ] - [ 0.0002513200000000, 0.0002855500000000, -0.0004041900000000 ] - [ -0.0001800900000000, -0.0018308600000000, -0.0002465400000000 ] - [ -0.0001593000000000, -0.0006362900000000, -0.0002351900000000 ] - [ -0.0002177200000000, 0.0003788000000000, 0.0002296000000000 ] - [ -0.0002098200000000, 0.0003010700000000, 0.0001446700000000 ] - [ -0.0000154500000000, 0.0000147000000000, 0.0002213500000000 ] - [ -0.0000111200000000, -0.0000024500000000, 0.0002254900000000 ] - [ 0.0000437200000000, 0.0001131700000000, -0.0000626000000000 ] - [ 0.0000051200000000, 0.0001009900000000, -0.0000709300000000 ] - [ 0.0000522900000000, -0.0000072700000000, 0.0011360500000000 ] - [ 0.0000324300000000, -0.0000475800000000, 0.0002031700000000 ] - [ -0.0001282300000000, -0.0011214600000000, -0.0020101600000000 ] - [ 0.0000129400000000, -0.0001566700000000, -0.0002039800000000 ] - [ 0.0000844000000000, -0.0001842000000000, 0.0004299200000000 ] - [ -0.0001045900000000, -0.0002685100000000, 0.0002218300000000 ] - [ -0.0000110900000000, -0.0004626000000000, -0.0000757500000000 ] - [ 0.0000739800000000, -0.0000797500000000, 0.0000956300000000 ] - [ -0.0000373800000000, 0.0000152900000000, 0.0002614000000000 ] - [ -0.0000668000000000, 0.0000125000000000, 0.0002711800000000 ] - [ 0.0002469700000000, 0.0091405700000000, -0.0004753100000000 ] - [ -0.0002312100000000, 0.0030768400000000, -0.0001448800000000 ] - [ -0.0001596600000000, 0.0000156400000000, -0.0001332800000000 ] - [ -0.0001377400000000, 0.0000162000000000, -0.0001323700000000 ] - [ -0.0001382200000000, 0.0000233300000000, 0.0004367000000000 ] - [ -0.0001382800000000, -0.0000126100000000, 0.0004272500000000 ] - [ -0.0020300900000000, 0.0012758300000000, 0.0030702500000000 ] - [ 0.0008309000000000, 0.0025482000000000, 0.0044853600000000 ] - [ -0.0000075700000000, -0.0232024900000000, 0.0000025700000000 ] - [ 0.0003615500000000, -0.0011219700000000, -0.0006271300000000 ] - [ -0.0037702700000000, 0.0284791900000000, -0.0022024300000000 ] - [ -0.0001079100000000, 0.0006165100000000, -0.0004372900000000 ] - [ 0.0003775800000000, -0.0006714000000000, -0.0004715600000000 ] - [ -0.0005890500000000, -0.0006705100000000, -0.0004294400000000 ] - [ 0.0001154500000000, 0.0001360500000000, 0.0002261500000000 ] - [ 0.0001214300000000, 0.0001447400000000, 0.0002237700000000 ] - [ 0.0001217600000000, -0.0001431300000000, -0.0001049900000000 ] - [ 0.0001270700000000, -0.0001435200000000, -0.0001033500000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001652000000000, -0.0001802300000000, 0.0009189100000000 ] - [ -0.0000689100000000, -0.0001654900000000, 0.0008818700000000 ] - [ -0.0001712100000000, -0.0000118000000000, 0.0006082700000000 ] - [ -0.0001677600000000, -0.0000100000000000, 0.0005371000000000 ] - [ 0.0004122800000000, 0.0001450800000000, -0.0029268200000000 ] - [ -0.0003580400000000, 0.0002059100000000, -0.0030859600000000 ] - [ 0.0002531200000000, -0.0019327200000000, 0.0011539600000000 ] - [ -0.0000634300000000, -0.0006360800000000, -0.0000215500000000 ] - [ 0.0000061500000000, 0.0001889100000000, 0.0013352100000000 ] - [ 0.0002295900000000, 0.0001462300000000, 0.0012452500000000 ] - [ 0.0001254900000000, -0.0000821800000000, 0.0003992000000000 ] - [ 0.0001220100000000, -0.0000838000000000, 0.0003111200000000 ] - [ 0.0003850200000000, -0.0012834400000000, -0.0018138100000000 ] - [ -0.0008802500000000, -0.0012201300000000, -0.0018873400000000 ] - [ 0.0000805300000000, 0.0002677700000000, 0.0028341500000000 ] - [ -0.0002741900000000, 0.0001578800000000, 0.0010257200000000 ] - [ -0.0011347200000000, 0.0001611100000000, 0.0019246100000000 ] - [ -0.0009643100000000, 0.0002594900000000, 0.0012316100000000 ] - [ 0.0029954100000000, 0.0008704800000000, 0.0000204900000000 ] - [ -0.0025374200000000, 0.0005008900000000, 0.0001564200000000 ] - [ 0.0009139700000000, 0.0001310900000000, -0.0006907600000000 ] - [ 0.0010290600000000, 0.0001373100000000, -0.0006579000000000 ] - [ 0.0004944400000000, -0.0000316400000000, -0.0007843900000000 ] - [ 0.0005471600000000, -0.0000363500000000, -0.0007450900000000 ] - [ -0.0004628700000000, 0.0003892700000000, 0.0034602100000000 ] - [ -0.0005944700000000, 0.0000424300000000, 0.0017841500000000 ] - [ 0.0008525600000000, 0.0002018400000000, 0.0038270900000000 ] - [ 0.0008614700000000, 0.0010831400000000, 0.0034069000000000 ] - [ 0.0006063300000000, -0.0002355200000000, -0.0009646900000000 ] - [ 0.0006296100000000, -0.0002379200000000, -0.0008368000000000 ] - [ 0.0004693400000000, 0.0005463300000000, -0.0019091000000000 ] - [ 0.0004786300000000, 0.0005476800000000, -0.0019058800000000 ] - [ 0.0006947600000000, 0.0003166000000000, 0.0026737700000000 ] - [ 0.0004878800000000, 0.0012526600000000, 0.0016562700000000 ] - [ -0.0026806000000000, 0.0006768300000000, -0.0014886700000000 ] - [ 0.0020760900000000, -0.0015527300000000, -0.0005506600000000 ] - [ -0.0003062800000000, 0.0009753000000000, -0.0011314700000000 ] - [ -0.0002743800000000, 0.0009609400000000, -0.0010304500000000 ] - [ 0.0000388600000000, -0.0006008400000000, -0.0003156400000000 ] - [ 0.0000061400000000, -0.0006070600000000, -0.0002917100000000 ] - [ 0.0002433300000000, -0.0008099800000000, 0.0032553300000000 ] - [ -0.0000008300000000, -0.0011986500000000, 0.0018505200000000 ] - [ -0.0008799500000000, 0.0019826900000000, -0.0006831600000000 ] - [ 0.0018107200000000, 0.0024148600000000, -0.0007284100000000 ] - [ 0.0000597200000000, -0.0010247100000000, -0.0012609700000000 ] - [ 0.0001015900000000, -0.0009731000000000, -0.0011027800000000 ] - [ 0.0003779600000000, 0.0005568400000000, -0.0004661700000000 ] - [ 0.0003407500000000, 0.0005600300000000, -0.0004420200000000 ] - [ 0.0000707000000000, 0.0002384400000000, -0.0008113500000000 ] - [ 0.0000690500000000, 0.0001833500000000, -0.0006058300000000 ] - [ 0.0010132400000000, -0.0002957300000000, 0.0016947900000000 ] - [ -0.0021774800000000, -0.0014901800000000, 0.0017974100000000 ] - [ -0.0002793100000000, -0.0005009600000000, -0.0008759600000000 ] - [ -0.0002623600000000, -0.0004336000000000, -0.0007169100000000 ] - [ -0.0002690400000000, 0.0001882300000000, -0.0006651400000000 ] - [ 0.0000450400000000, 0.0000745400000000, -0.0006606700000000 ] - [ 0.0000175400000000, -0.0003445400000000, -0.0005828100000000 ] - [ 0.0003307200000000, -0.0002322200000000, -0.0005613900000000 ] - [ -0.0000072200000000, 0.0004786200000000, -0.0007535200000000 ] - [ 0.0000144900000000, 0.0004051600000000, -0.0006021200000000 ] - [ -0.0003989000000000, -0.0011011700000000, 0.0024794600000000 ] - [ -0.0025070200000000, 0.0010058700000000, 0.0011832400000000 ] - [ -0.0001752200000000, -0.0006568000000000, -0.0011949200000000 ] - [ -0.0001996100000000, -0.0002105700000000, -0.0006689700000000 ] - [ 0.0009821500000000, -0.0001029700000000, -0.0005738900000000 ] - [ 0.0004075000000000, -0.0001400500000000, -0.0003873500000000 ] - [ 0.0006564300000000, 0.0001033500000000, -0.0004965500000000 ] - [ 0.0005561600000000, 0.0001053300000000, -0.0003747100000000 ] - [ -0.0030853900000000, -0.0000703000000000, 0.0037054400000000 ] - [ 0.0021117000000000, -0.0003874800000000, -0.0001561200000000 ] - [ -0.0007900900000000, 0.0000370300000000, -0.0008017600000000 ] - [ -0.0005038900000000, 0.0001180000000000, -0.0006863600000000 ] - [ -0.0000914000000000, -0.0001857500000000, 0.0001635900000000 ] - [ 0.0004607000000000, -0.0002137900000000, 0.0002942700000000 ] - [ 0.0004476400000000, 0.0004210300000000, -0.0019180400000000 ] - [ 0.0005024800000000, 0.0003454400000000, -0.0014656100000000 ] - [ 0.0003197600000000, -0.0006178300000000, -0.0020668200000000 ] - [ -0.0020934000000000, -0.0004257500000000, -0.0014654300000000 ] - [ 0.0000067000000000, 0.0001043600000000, -0.0011541200000000 ] - [ -0.0000253400000000, 0.0002131200000000, -0.0007954000000000 ] - [ 0.0000982500000000, 0.0000256500000000, 0.0007593100000000 ] - [ -0.0001651200000000, -0.0000041300000000, 0.0008120400000000 ] - [ -0.0000923100000000, 0.0000667200000000, 0.0005970900000000 ] - [ 0.0001086900000000, 0.0000771900000000, 0.0005922500000000 ] - [ 0.0000200500000000, -0.0011613600000000, 0.0020602600000000 ] - [ 0.0000082600000000, -0.0004621600000000, 0.0004821500000000 ] - [ 0.0001672500000000, 0.0022837100000000, 0.0011027000000000 ] - [ -0.0000775200000000, 0.0004677500000000, -0.0004573700000000 ] - [ 0.0003522100000000, 0.0000940200000000, 0.0005276700000000 ] - [ -0.0007467300000000, 0.0000638700000000, 0.0005307800000000 ] - [ 0.0002717700000000, 0.0006260100000000, 0.0020629500000000 ] - [ -0.0001421500000000, 0.0001531700000000, 0.0014370200000000 ] - [ -0.0001748600000000, 0.0000696800000000, 0.0025737100000000 ] - [ -0.0000436000000000, 0.0000754100000000, 0.0020333100000000 ] - [ -0.0075950000000000, 0.0013454900000000, 0.0063557500000000 ] - [ 0.0103796100000000, 0.0006615800000000, 0.0007464500000000 ] - [ -0.0001174600000000, -0.0000553800000000, 0.0017839600000000 ] - [ -0.0002022800000000, -0.0000555900000000, 0.0017888300000000 ] - [ -0.0000787600000000, -0.0000621200000000, 0.0026597600000000 ] - [ -0.0002385400000000, -0.0001114700000000, 0.0024041700000000 ] - [ -0.0100885600000000, -0.0023935600000000, 0.0009430800000000 ] - [ 0.0065311300000000, -0.0044669900000000, 0.0012319100000000 ] - [ -0.0002646700000000, 0.0000735600000000, -0.0070570100000000 ] - [ -0.0000598900000000, -0.0003341000000000, -0.0039959500000000 ] - [ 0.0010424900000000, 0.0020619100000000, -0.0214075000000000 ] - [ -0.0001420300000000, 0.0004183700000000, -0.0025138000000000 ] - [ -0.0006253800000000, 0.0004410900000000, -0.0000995500000000 ] - [ 0.0004847300000000, 0.0004836300000000, -0.0000994600000000 ] - [ 0.0001035200000000, 0.0002072700000000, 0.0009228800000000 ] - [ 0.0000853700000000, 0.0002051000000000, 0.0008653200000000 ] - [ 0.0001669900000000, -0.0000866600000000, 0.0006539500000000 ] - [ 0.0001430700000000, -0.0000850200000000, 0.0006509700000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000984100000000, 0.0001162900000000, -0.0005847800000000 ] - [ -0.0001929300000000, 0.0001023300000000, -0.0005476800000000 ] - [ -0.0000899100000000, 0.0000753800000000, -0.0009430400000000 ] - [ -0.0000938200000000, 0.0000741900000000, -0.0008711400000000 ] - [ -0.0001668700000000, -0.0002170900000000, 0.0025860700000000 ] - [ 0.0006335200000000, -0.0002750600000000, 0.0027430200000000 ] - [ 0.0000076200000000, 0.0020135700000000, -0.0008228600000000 ] - [ 0.0003247000000000, 0.0007014500000000, 0.0003587200000000 ] - [ 0.0002672800000000, -0.0001469600000000, -0.0005893600000000 ] - [ 0.0000454800000000, -0.0001047800000000, -0.0004984100000000 ] - [ 0.0001531900000000, 0.0000410300000000, -0.0011457800000000 ] - [ 0.0001565900000000, 0.0000416700000000, -0.0010564200000000 ] - [ -0.0006653800000000, 0.0013223900000000, 0.0010540700000000 ] - [ 0.0006107600000000, 0.0012594200000000, 0.0011317400000000 ] - [ -0.0003609900000000, -0.0003073200000000, -0.0021082200000000 ] - [ -0.0000031800000000, -0.0001970600000000, -0.0002791800000000 ] - [ -0.0003280400000000, 0.0000016400000000, -0.0021009600000000 ] - [ -0.0004831500000000, -0.0000925700000000, -0.0014049500000000 ] - [ -0.0044199100000000, -0.0010197500000000, 0.0000513300000000 ] - [ 0.0010900800000000, -0.0006752600000000, 0.0000023400000000 ] - [ 0.0005347700000000, 0.0000367400000000, 0.0008638500000000 ] - [ 0.0004195800000000, 0.0000301200000000, 0.0008302500000000 ] - [ 0.0009488300000000, -0.0001358000000000, 0.0006105900000000 ] - [ 0.0009044100000000, -0.0001311100000000, 0.0005737700000000 ] - [ -0.0006144300000000, -0.0011732400000000, -0.0045879500000000 ] - [ -0.0004789600000000, -0.0008199100000000, -0.0028892800000000 ] - [ -0.0019799800000000, 0.0005910100000000, -0.0027609300000000 ] - [ -0.0019264100000000, -0.0003033600000000, -0.0023485200000000 ] - [ 0.0004686800000000, -0.0005411000000000, 0.0020691200000000 ] - [ 0.0004448300000000, -0.0005393300000000, 0.0019442700000000 ] - [ 0.0006035400000000, 0.0002313900000000, 0.0008005500000000 ] - [ 0.0005966800000000, 0.0002289900000000, 0.0008022700000000 ] - [ -0.0004513900000000, 0.0013100300000000, -0.0019777800000000 ] - [ -0.0002319300000000, 0.0003462000000000, -0.0009485400000000 ] - [ 0.0029609700000000, -0.0022893400000000, 0.0007696100000000 ] - [ -0.0018300000000000, -0.0000486500000000, -0.0001636300000000 ] - [ 0.0000491600000000, 0.0006268600000000, 0.0004227600000000 ] - [ 0.0000182800000000, 0.0006384300000000, 0.0003220300000000 ] - [ -0.0002954800000000, -0.0009978400000000, 0.0010241700000000 ] - [ -0.0002597900000000, -0.0009902500000000, 0.0009987300000000 ] - [ -0.0007069800000000, -0.0007815300000000, -0.0026261900000000 ] - [ -0.0004572500000000, -0.0003833800000000, -0.0012125000000000 ] - [ 0.0004323500000000, -0.0004048600000000, 0.0000364500000000 ] - [ -0.0022801800000000, -0.0008430800000000, 0.0000890200000000 ] - [ 0.0003964000000000, -0.0005620700000000, 0.0006193100000000 ] - [ 0.0003571500000000, -0.0006077000000000, 0.0004648200000000 ] - [ 0.0000802800000000, 0.0010219600000000, 0.0011032000000000 ] - [ 0.0001177900000000, 0.0010217200000000, 0.0010805300000000 ] - [ 0.0002472800000000, -0.0003960600000000, 0.0004562200000000 ] - [ 0.0002480200000000, -0.0003360200000000, 0.0002483200000000 ] - [ -0.0007496300000000, 0.0004825300000000, -0.0012689600000000 ] - [ 0.0024823200000000, 0.0016376100000000, -0.0014327300000000 ] - [ -0.0000376700000000, 0.0003502300000000, 0.0012348300000000 ] - [ -0.0000555900000000, 0.0002789800000000, 0.0010710900000000 ] - [ -0.0000484500000000, -0.0000319900000000, 0.0003101400000000 ] - [ -0.0003609900000000, 0.0000795600000000, 0.0003063000000000 ] - [ 0.0001963800000000, 0.0000563900000000, 0.0002678700000000 ] - [ -0.0001145200000000, -0.0000529100000000, 0.0002454400000000 ] - [ 0.0002232200000000, -0.0001987100000000, 0.0010748300000000 ] - [ 0.0002030700000000, -0.0001256600000000, 0.0009223300000000 ] - [ 0.0000774500000000, 0.0007746200000000, -0.0020444000000000 ] - [ 0.0022779100000000, -0.0012808600000000, -0.0008544900000000 ] - [ -0.0000380900000000, 0.0009517900000000, 0.0008832600000000 ] - [ -0.0000160300000000, 0.0004933900000000, 0.0003493200000000 ] - [ 0.0002064900000000, -0.0001505800000000, 0.0000848500000000 ] - [ 0.0007736800000000, -0.0001134300000000, -0.0001013800000000 ] - [ 0.0005274700000000, 0.0001509600000000, 0.0009889000000000 ] - [ 0.0006296500000000, 0.0001500100000000, 0.0008655200000000 ] - [ 0.0020180600000000, -0.0001667600000000, -0.0029743800000000 ] - [ -0.0032991300000000, 0.0001326000000000, 0.0006482000000000 ] - [ -0.0003955500000000, 0.0002177500000000, 0.0003098800000000 ] - [ -0.0006806600000000, 0.0001364800000000, 0.0001945900000000 ] - [ 0.0005064100000000, -0.0003938000000000, 0.0002447800000000 ] - [ -0.0000462600000000, -0.0003670200000000, 0.0001122600000000 ] - [ -0.0000318300000000, 0.0001590000000000, 0.0015112400000000 ] - [ -0.0000888200000000, 0.0002363300000000, 0.0010604300000000 ] - [ -0.0007227900000000, 0.0000359700000000, 0.0016714800000000 ] - [ 0.0016817900000000, -0.0001549300000000, 0.0010655500000000 ] - [ -0.0004188600000000, 0.0004768500000000, 0.0015525600000000 ] - [ -0.0003876700000000, 0.0003679100000000, 0.0011968700000000 ] - [ -0.0001330300000000, 0.0001206700000000, -0.0005682600000000 ] - [ 0.0001313900000000, 0.0001501300000000, -0.0006211900000000 ] - [ 0.0001276900000000, 0.0000790600000000, -0.0007870800000000 ] - [ -0.0000746700000000, 0.0000680500000000, -0.0007824900000000 ] - [ 0.0000117000000000, 0.0010062100000000, -0.0018500200000000 ] - [ 0.0000258700000000, 0.0003165800000000, -0.0002884600000000 ] - [ -0.0002002200000000, -0.0024059600000000, -0.0012903000000000 ] - [ 0.0000443500000000, -0.0006118900000000, 0.0002628100000000 ] - [ -0.0004189800000000, -0.0001050600000000, -0.0005165500000000 ] - [ 0.0006740000000000, -0.0000745400000000, -0.0005188400000000 ] - [ -0.0002058600000000, -0.0006220600000000, -0.0020458800000000 ] - [ 0.0002104200000000, -0.0001434100000000, -0.0014167100000000 ] - [ 0.0001070700000000, -0.0000586200000000, -0.0025938300000000 ] - [ -0.0000259300000000, -0.0000642000000000, -0.0020493600000000 ] - [ 0.0075854700000000, -0.0013550800000000, -0.0063535800000000 ] - [ -0.0102641500000000, -0.0006706400000000, -0.0007444000000000 ] - [ -0.0001755300000000, 0.0000968300000000, -0.0023458000000000 ] - [ -0.0000906900000000, 0.0000974900000000, -0.0023505100000000 ] - [ -0.0002133400000000, 0.0000208600000000, -0.0020955200000000 ] - [ -0.0000551700000000, 0.0000694700000000, -0.0018422900000000 ] - [ 0.0104551000000000, 0.0024632000000000, -0.0003574500000000 ] - [ -0.0062974000000000, 0.0045497000000000, -0.0006161000000000 ] - [ 0.0005815100000000, -0.0000968400000000, 0.0065398900000000 ] - [ 0.0003498600000000, 0.0002941300000000, 0.0034379900000000 ] - [ -0.0011908700000000, -0.0018841100000000, 0.0207501100000000 ] - [ -0.0000997000000000, -0.0001244100000000, 0.0021823500000000 ] - [ 0.0003833000000000, -0.0007386300000000, 0.0004349700000000 ] - [ -0.0007278700000000, -0.0007809700000000, 0.0004350000000000 ] - [ 0.0001388900000000, 0.0000868200000000, -0.0005930200000000 ] - [ 0.0001572500000000, 0.0000890300000000, -0.0005360000000000 ] - [ 0.0000756000000000, -0.0002074000000000, -0.0009838300000000 ] - [ 0.0000997500000000, -0.0002090500000000, -0.0009808700000000 ]