# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8a8a8702-5463-4174-bff1-0506e071e908/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 Na4Ge2Te5 / P2_1/c (14) / materials id 568060](https://mdr.nims.go.jp/datasets/67ce3a0c-0e6c-4f11-8814-504cd6324236) ## 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_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 13.886316219999999, 0.000000000000000, -0.101174860000000 ] # a - [ 0.000000000000000, 12.865185690000001, 0.000000000000000 ] # b - [ -0.816552630000000, 0.000000000000000, 14.901957220000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.405864600000000, 0.621811960000000, 0.054527950000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.919822640000000, 0.133827250000000, 0.567445810000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.513104420000000, 0.158064360000000, 0.735713420000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.212843790000000, 0.642620140000000, 0.653361430000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.882045010000000, 0.633272250000000, 0.540553020000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.004631840000000, 0.583985160000000, 0.270294250000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.212843790000000, 0.857379860000000, 0.153361430000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.919822640000000, 0.366172750000000, 0.067445810000000 ] mass: 22.989769 - symbol: Na # 9 coordinates: [ 0.600049020000000, 0.623296110000000, 0.446104150000000 ] mass: 22.989769 - symbol: Na # 10 coordinates: [ 0.302007470000000, 0.095186300000000, 0.360388960000000 ] mass: 22.989769 - symbol: Na # 11 coordinates: [ 0.787156210000000, 0.357379860000000, 0.346638570000000 ] mass: 22.989769 - symbol: Na # 12 coordinates: [ 0.117954990000000, 0.133272250000000, 0.959446980000000 ] mass: 22.989769 - symbol: Na # 13 coordinates: [ 0.697992530000000, 0.595186300000000, 0.139611040000000 ] mass: 22.989769 - symbol: Na # 14 coordinates: [ 0.513104420000000, 0.341935640000000, 0.235713420000000 ] mass: 22.989769 - symbol: Na # 15 coordinates: [ 0.882045010000000, 0.866727750000000, 0.040553020000000 ] mass: 22.989769 - symbol: Na # 16 coordinates: [ 0.594135400000000, 0.378188040000000, 0.945472050000000 ] mass: 22.989769 - symbol: Na # 17 coordinates: [ 0.697992530000000, 0.904813700000000, 0.639611040000000 ] mass: 22.989769 - symbol: Na # 18 coordinates: [ 0.080177360000000, 0.633827250000000, 0.932554190000000 ] mass: 22.989769 - symbol: Na # 19 coordinates: [ 0.787156210000000, 0.142620140000000, 0.846638570000000 ] mass: 22.989769 - symbol: Na # 20 coordinates: [ 0.302007470000000, 0.404813700000000, 0.860388960000000 ] mass: 22.989769 - symbol: Na # 21 coordinates: [ 0.486895580000000, 0.841935640000000, 0.264286580000000 ] mass: 22.989769 - symbol: Na # 22 coordinates: [ 0.594135400000000, 0.121811960000000, 0.445472050000000 ] mass: 22.989769 - symbol: Na # 23 coordinates: [ 0.486895580000000, 0.658064360000000, 0.764286580000000 ] mass: 22.989769 - symbol: Na # 24 coordinates: [ 0.004631840000000, 0.916014840000000, 0.770294250000000 ] mass: 22.989769 - symbol: Na # 25 coordinates: [ 0.399950980000000, 0.376703890000000, 0.553895850000000 ] mass: 22.989769 - symbol: Na # 26 coordinates: [ 0.405864600000000, 0.878188040000000, 0.554527950000000 ] mass: 22.989769 - symbol: Na # 27 coordinates: [ 0.995368160000000, 0.083985160000000, 0.229705750000000 ] mass: 22.989769 - symbol: Na # 28 coordinates: [ 0.600049020000000, 0.876703890000000, 0.946104150000000 ] mass: 22.989769 - symbol: Na # 29 coordinates: [ 0.995368160000000, 0.416014840000000, 0.729705750000000 ] mass: 22.989769 - symbol: Na # 30 coordinates: [ 0.080177360000000, 0.866172750000000, 0.432554190000000 ] mass: 22.989769 - symbol: Na # 31 coordinates: [ 0.399950980000000, 0.123296110000000, 0.053895850000000 ] mass: 22.989769 - symbol: Na # 32 coordinates: [ 0.117954990000000, 0.366727750000000, 0.459446980000000 ] mass: 22.989769 - symbol: Ge # 33 coordinates: [ 0.177693830000000, 0.301842310000000, 0.212706930000000 ] mass: 72.640000 - symbol: Ge # 34 coordinates: [ 0.278866930000000, 0.663523770000000, 0.419086080000000 ] mass: 72.640000 - symbol: Ge # 35 coordinates: [ 0.278866930000000, 0.836476230000000, 0.919086080000000 ] mass: 72.640000 - symbol: Ge # 36 coordinates: [ 0.781611800000000, 0.590174810000000, 0.915566820000000 ] mass: 72.640000 - symbol: Ge # 37 coordinates: [ 0.326737210000000, 0.558451080000000, 0.290878260000000 ] mass: 72.640000 - symbol: Ge # 38 coordinates: [ 0.673262790000000, 0.441548920000000, 0.709121740000000 ] mass: 72.640000 - symbol: Ge # 39 coordinates: [ 0.673262790000000, 0.058451080000000, 0.209121740000000 ] mass: 72.640000 - symbol: Ge # 40 coordinates: [ 0.822306170000000, 0.698157690000000, 0.787293070000000 ] mass: 72.640000 - symbol: Ge # 41 coordinates: [ 0.822306170000000, 0.801842310000000, 0.287293070000000 ] mass: 72.640000 - symbol: Ge # 42 coordinates: [ 0.721133070000000, 0.163523770000000, 0.080913920000000 ] mass: 72.640000 - symbol: Ge # 43 coordinates: [ 0.218388200000000, 0.409825190000000, 0.084433180000000 ] mass: 72.640000 - symbol: Ge # 44 coordinates: [ 0.781611800000000, 0.909825190000000, 0.415566820000000 ] mass: 72.640000 - symbol: Ge # 45 coordinates: [ 0.326737210000000, 0.941548920000000, 0.790878260000000 ] mass: 72.640000 - symbol: Ge # 46 coordinates: [ 0.218388200000000, 0.090174810000000, 0.584433180000000 ] mass: 72.640000 - symbol: Ge # 47 coordinates: [ 0.177693830000000, 0.198157690000000, 0.712706930000000 ] mass: 72.640000 - symbol: Ge # 48 coordinates: [ 0.721133070000000, 0.336476230000000, 0.580913920000000 ] mass: 72.640000 - symbol: Te # 49 coordinates: [ 0.288702420000000, 0.650236880000000, 0.855938440000000 ] mass: 127.600000 - symbol: Te # 50 coordinates: [ 0.498707190000000, 0.405114120000000, 0.744297370000000 ] mass: 127.600000 - symbol: Te # 51 coordinates: [ 0.801181220000000, 0.096824740000000, 0.343816730000000 ] mass: 127.600000 - symbol: Te # 52 coordinates: [ 0.595909430000000, 0.127043850000000, 0.950896010000000 ] mass: 127.600000 - symbol: Te # 53 coordinates: [ 0.891500690000000, 0.113957000000000, 0.037430350000000 ] mass: 127.600000 - symbol: Te # 54 coordinates: [ 0.108499310000000, 0.613957000000000, 0.462569650000000 ] mass: 127.600000 - symbol: Te # 55 coordinates: [ 0.992215640000000, 0.665719810000000, 0.736825050000000 ] mass: 127.600000 - symbol: Te # 56 coordinates: [ 0.311694990000000, 0.360700990000000, 0.337635670000000 ] mass: 127.600000 - symbol: Te # 57 coordinates: [ 0.208302770000000, 0.113868590000000, 0.164059890000000 ] mass: 127.600000 - symbol: Te # 58 coordinates: [ 0.198818780000000, 0.903175260000000, 0.656183270000000 ] mass: 127.600000 - symbol: Te # 59 coordinates: [ 0.688305010000000, 0.860700990000000, 0.162364330000000 ] mass: 127.600000 - symbol: Te # 60 coordinates: [ 0.501292810000000, 0.594885880000000, 0.255702630000000 ] mass: 127.600000 - symbol: Te # 61 coordinates: [ 0.498707190000000, 0.094885880000000, 0.244297370000000 ] mass: 127.600000 - symbol: Te # 62 coordinates: [ 0.007784360000000, 0.334280190000000, 0.263174950000000 ] mass: 127.600000 - symbol: Te # 63 coordinates: [ 0.898970930000000, 0.621816120000000, 0.051176970000000 ] mass: 127.600000 - symbol: Te # 64 coordinates: [ 0.311694990000000, 0.139299010000000, 0.837635670000000 ] mass: 127.600000 - symbol: Te # 65 coordinates: [ 0.711297580000000, 0.349763120000000, 0.144061560000000 ] mass: 127.600000 - symbol: Te # 66 coordinates: [ 0.501292810000000, 0.905114120000000, 0.755702630000000 ] mass: 127.600000 - symbol: Te # 67 coordinates: [ 0.101029070000000, 0.121816120000000, 0.448823030000000 ] mass: 127.600000 - symbol: Te # 68 coordinates: [ 0.101029070000000, 0.378183880000000, 0.948823030000000 ] mass: 127.600000 - symbol: Te # 69 coordinates: [ 0.688305010000000, 0.639299010000000, 0.662364330000000 ] mass: 127.600000 - symbol: Te # 70 coordinates: [ 0.992215640000000, 0.834280190000000, 0.236825050000000 ] mass: 127.600000 - symbol: Te # 71 coordinates: [ 0.108499310000000, 0.886043000000000, 0.962569650000000 ] mass: 127.600000 - symbol: Te # 72 coordinates: [ 0.791697230000000, 0.886131410000000, 0.835940110000000 ] mass: 127.600000 - symbol: Te # 73 coordinates: [ 0.007784360000000, 0.165719810000000, 0.763174950000000 ] mass: 127.600000 - symbol: Te # 74 coordinates: [ 0.288702420000000, 0.849763120000000, 0.355938440000000 ] mass: 127.600000 - symbol: Te # 75 coordinates: [ 0.404090570000000, 0.627043850000000, 0.549103990000000 ] mass: 127.600000 - symbol: Te # 76 coordinates: [ 0.208302770000000, 0.386131410000000, 0.664059890000000 ] mass: 127.600000 - symbol: Te # 77 coordinates: [ 0.393905640000000, 0.371710650000000, 0.052029250000000 ] mass: 127.600000 - symbol: Te # 78 coordinates: [ 0.404090570000000, 0.872956150000000, 0.049103990000000 ] mass: 127.600000 - symbol: Te # 79 coordinates: [ 0.606094360000000, 0.628289350000000, 0.947970750000000 ] mass: 127.600000 - symbol: Te # 80 coordinates: [ 0.393905640000000, 0.128289350000000, 0.552029250000000 ] mass: 127.600000 - symbol: Te # 81 coordinates: [ 0.711297580000000, 0.150236880000000, 0.644061560000000 ] mass: 127.600000 - symbol: Te # 82 coordinates: [ 0.898970930000000, 0.878183880000000, 0.551176970000000 ] mass: 127.600000 - symbol: Te # 83 coordinates: [ 0.791697230000000, 0.613868590000000, 0.335940110000000 ] mass: 127.600000 - symbol: Te # 84 coordinates: [ 0.891500690000000, 0.386043000000000, 0.537430350000000 ] mass: 127.600000 - symbol: Te # 85 coordinates: [ 0.606094360000000, 0.871710650000000, 0.447970750000000 ] mass: 127.600000 - symbol: Te # 86 coordinates: [ 0.801181220000000, 0.403175260000000, 0.843816730000000 ] mass: 127.600000 - symbol: Te # 87 coordinates: [ 0.198818780000000, 0.596824740000000, 0.156183270000000 ] mass: 127.600000 - symbol: Te # 88 coordinates: [ 0.595909430000000, 0.372956150000000, 0.450896010000000 ] mass: 127.600000 reciprocal_lattice: # without 2pi - [ 0.072042100770298, 0.000000000000000, 0.003947546351546 ] # a* - [ 0.000000000000000, 0.077729154020473, 0.000000000000000 ] # b* - [ 0.000489120278091, 0.000000000000000, 0.067132080550253 ] # c*unit_cell: lattice: - [ 13.886316219999999, 0.000000000000000, -0.101174860000000 ] # a - [ 0.000000000000000, 12.865185690000001, 0.000000000000000 ] # b - [ -0.816552630000000, 0.000000000000000, 14.901957220000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.405864600000000, 0.621811960000000, 0.054527950000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.919822640000000, 0.133827250000000, 0.567445810000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.513104420000000, 0.158064360000000, 0.735713420000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.212843790000000, 0.642620140000000, 0.653361430000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.882045010000000, 0.633272250000000, 0.540553020000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.004631840000000, 0.583985160000000, 0.270294250000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.212843790000000, 0.857379860000000, 0.153361430000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.919822640000000, 0.366172750000000, 0.067445810000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.600049020000000, 0.623296110000000, 0.446104150000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.302007470000000, 0.095186300000000, 0.360388960000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.787156210000000, 0.357379860000000, 0.346638570000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.117954990000000, 0.133272250000000, 0.959446980000000 ] mass: 22.989769 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.697992530000000, 0.595186300000000, 0.139611040000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.513104420000000, 0.341935640000000, 0.235713420000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.882045010000000, 0.866727750000000, 0.040553020000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.594135400000000, 0.378188040000000, 0.945472050000000 ] mass: 22.989769 reduced_to: 16 - symbol: Na # 17 coordinates: [ 0.697992530000000, 0.904813700000000, 0.639611040000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.080177360000000, 0.633827250000000, 0.932554190000000 ] mass: 22.989769 reduced_to: 18 - symbol: Na # 19 coordinates: [ 0.787156210000000, 0.142620140000000, 0.846638570000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.302007470000000, 0.404813700000000, 0.860388960000000 ] mass: 22.989769 reduced_to: 20 - symbol: Na # 21 coordinates: [ 0.486895580000000, 0.841935640000000, 0.264286580000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.594135400000000, 0.121811960000000, 0.445472050000000 ] mass: 22.989769 reduced_to: 22 - symbol: Na # 23 coordinates: [ 0.486895580000000, 0.658064360000000, 0.764286580000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 24 coordinates: [ 0.004631840000000, 0.916014840000000, 0.770294250000000 ] mass: 22.989769 reduced_to: 24 - symbol: Na # 25 coordinates: [ 0.399950980000000, 0.376703890000000, 0.553895850000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.405864600000000, 0.878188040000000, 0.554527950000000 ] mass: 22.989769 reduced_to: 26 - symbol: Na # 27 coordinates: [ 0.995368160000000, 0.083985160000000, 0.229705750000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 28 coordinates: [ 0.600049020000000, 0.876703890000000, 0.946104150000000 ] mass: 22.989769 reduced_to: 28 - symbol: Na # 29 coordinates: [ 0.995368160000000, 0.416014840000000, 0.729705750000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 30 coordinates: [ 0.080177360000000, 0.866172750000000, 0.432554190000000 ] mass: 22.989769 reduced_to: 30 - symbol: Na # 31 coordinates: [ 0.399950980000000, 0.123296110000000, 0.053895850000000 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 32 coordinates: [ 0.117954990000000, 0.366727750000000, 0.459446980000000 ] mass: 22.989769 reduced_to: 32 - symbol: Ge # 33 coordinates: [ 0.177693830000000, 0.301842310000000, 0.212706930000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 34 coordinates: [ 0.278866930000000, 0.663523770000000, 0.419086080000000 ] mass: 72.640000 reduced_to: 34 - symbol: Ge # 35 coordinates: [ 0.278866930000000, 0.836476230000000, 0.919086080000000 ] mass: 72.640000 reduced_to: 35 - symbol: Ge # 36 coordinates: [ 0.781611800000000, 0.590174810000000, 0.915566820000000 ] mass: 72.640000 reduced_to: 36 - symbol: Ge # 37 coordinates: [ 0.326737210000000, 0.558451080000000, 0.290878260000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 38 coordinates: [ 0.673262790000000, 0.441548920000000, 0.709121740000000 ] mass: 72.640000 reduced_to: 38 - symbol: Ge # 39 coordinates: [ 0.673262790000000, 0.058451080000000, 0.209121740000000 ] mass: 72.640000 reduced_to: 39 - symbol: Ge # 40 coordinates: [ 0.822306170000000, 0.698157690000000, 0.787293070000000 ] mass: 72.640000 reduced_to: 40 - symbol: Ge # 41 coordinates: [ 0.822306170000000, 0.801842310000000, 0.287293070000000 ] mass: 72.640000 reduced_to: 41 - symbol: Ge # 42 coordinates: [ 0.721133070000000, 0.163523770000000, 0.080913920000000 ] mass: 72.640000 reduced_to: 42 - symbol: Ge # 43 coordinates: [ 0.218388200000000, 0.409825190000000, 0.084433180000000 ] mass: 72.640000 reduced_to: 43 - symbol: Ge # 44 coordinates: [ 0.781611800000000, 0.909825190000000, 0.415566820000000 ] mass: 72.640000 reduced_to: 44 - symbol: Ge # 45 coordinates: [ 0.326737210000000, 0.941548920000000, 0.790878260000000 ] mass: 72.640000 reduced_to: 45 - symbol: Ge # 46 coordinates: [ 0.218388200000000, 0.090174810000000, 0.584433180000000 ] mass: 72.640000 reduced_to: 46 - symbol: Ge # 47 coordinates: [ 0.177693830000000, 0.198157690000000, 0.712706930000000 ] mass: 72.640000 reduced_to: 47 - symbol: Ge # 48 coordinates: [ 0.721133070000000, 0.336476230000000, 0.580913920000000 ] mass: 72.640000 reduced_to: 48 - symbol: Te # 49 coordinates: [ 0.288702420000000, 0.650236880000000, 0.855938440000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 50 coordinates: [ 0.498707190000000, 0.405114120000000, 0.744297370000000 ] mass: 127.600000 reduced_to: 50 - symbol: Te # 51 coordinates: [ 0.801181220000000, 0.096824740000000, 0.343816730000000 ] mass: 127.600000 reduced_to: 51 - symbol: Te # 52 coordinates: [ 0.595909430000000, 0.127043850000000, 0.950896010000000 ] mass: 127.600000 reduced_to: 52 - symbol: Te # 53 coordinates: [ 0.891500690000000, 0.113957000000000, 0.037430350000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 54 coordinates: [ 0.108499310000000, 0.613957000000000, 0.462569650000000 ] mass: 127.600000 reduced_to: 54 - symbol: Te # 55 coordinates: [ 0.992215640000000, 0.665719810000000, 0.736825050000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 56 coordinates: [ 0.311694990000000, 0.360700990000000, 0.337635670000000 ] mass: 127.600000 reduced_to: 56 - symbol: Te # 57 coordinates: [ 0.208302770000000, 0.113868590000000, 0.164059890000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 58 coordinates: [ 0.198818780000000, 0.903175260000000, 0.656183270000000 ] mass: 127.600000 reduced_to: 58 - symbol: Te # 59 coordinates: [ 0.688305010000000, 0.860700990000000, 0.162364330000000 ] mass: 127.600000 reduced_to: 59 - symbol: Te # 60 coordinates: [ 0.501292810000000, 0.594885880000000, 0.255702630000000 ] mass: 127.600000 reduced_to: 60 - symbol: Te # 61 coordinates: [ 0.498707190000000, 0.094885880000000, 0.244297370000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 62 coordinates: [ 0.007784360000000, 0.334280190000000, 0.263174950000000 ] mass: 127.600000 reduced_to: 62 - symbol: Te # 63 coordinates: [ 0.898970930000000, 0.621816120000000, 0.051176970000000 ] mass: 127.600000 reduced_to: 63 - symbol: Te # 64 coordinates: [ 0.311694990000000, 0.139299010000000, 0.837635670000000 ] mass: 127.600000 reduced_to: 64 - symbol: Te # 65 coordinates: [ 0.711297580000000, 0.349763120000000, 0.144061560000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 66 coordinates: [ 0.501292810000000, 0.905114120000000, 0.755702630000000 ] mass: 127.600000 reduced_to: 66 - symbol: Te # 67 coordinates: [ 0.101029070000000, 0.121816120000000, 0.448823030000000 ] mass: 127.600000 reduced_to: 67 - symbol: Te # 68 coordinates: [ 0.101029070000000, 0.378183880000000, 0.948823030000000 ] mass: 127.600000 reduced_to: 68 - symbol: Te # 69 coordinates: [ 0.688305010000000, 0.639299010000000, 0.662364330000000 ] mass: 127.600000 reduced_to: 69 - symbol: Te # 70 coordinates: [ 0.992215640000000, 0.834280190000000, 0.236825050000000 ] mass: 127.600000 reduced_to: 70 - symbol: Te # 71 coordinates: [ 0.108499310000000, 0.886043000000000, 0.962569650000000 ] mass: 127.600000 reduced_to: 71 - symbol: Te # 72 coordinates: [ 0.791697230000000, 0.886131410000000, 0.835940110000000 ] mass: 127.600000 reduced_to: 72 - symbol: Te # 73 coordinates: [ 0.007784360000000, 0.165719810000000, 0.763174950000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 74 coordinates: [ 0.288702420000000, 0.849763120000000, 0.355938440000000 ] mass: 127.600000 reduced_to: 74 - symbol: Te # 75 coordinates: [ 0.404090570000000, 0.627043850000000, 0.549103990000000 ] mass: 127.600000 reduced_to: 75 - symbol: Te # 76 coordinates: [ 0.208302770000000, 0.386131410000000, 0.664059890000000 ] mass: 127.600000 reduced_to: 76 - symbol: Te # 77 coordinates: [ 0.393905640000000, 0.371710650000000, 0.052029250000000 ] mass: 127.600000 reduced_to: 77 - symbol: Te # 78 coordinates: [ 0.404090570000000, 0.872956150000000, 0.049103990000000 ] mass: 127.600000 reduced_to: 78 - symbol: Te # 79 coordinates: [ 0.606094360000000, 0.628289350000000, 0.947970750000000 ] mass: 127.600000 reduced_to: 79 - symbol: Te # 80 coordinates: [ 0.393905640000000, 0.128289350000000, 0.552029250000000 ] mass: 127.600000 reduced_to: 80 - symbol: Te # 81 coordinates: [ 0.711297580000000, 0.150236880000000, 0.644061560000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 82 coordinates: [ 0.898970930000000, 0.878183880000000, 0.551176970000000 ] mass: 127.600000 reduced_to: 82 - symbol: Te # 83 coordinates: [ 0.791697230000000, 0.613868590000000, 0.335940110000000 ] mass: 127.600000 reduced_to: 83 - symbol: Te # 84 coordinates: [ 0.891500690000000, 0.386043000000000, 0.537430350000000 ] mass: 127.600000 reduced_to: 84 - symbol: Te # 85 coordinates: [ 0.606094360000000, 0.871710650000000, 0.447970750000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 86 coordinates: [ 0.801181220000000, 0.403175260000000, 0.843816730000000 ] mass: 127.600000 reduced_to: 86 - symbol: Te # 87 coordinates: [ 0.198818780000000, 0.596824740000000, 0.156183270000000 ] mass: 127.600000 reduced_to: 87 - symbol: Te # 88 coordinates: [ 0.595909430000000, 0.372956150000000, 0.450896010000000 ] mass: 127.600000 reduced_to: 88supercell: lattice: - [ 13.886316219999999, 0.000000000000000, -0.101174860000000 ] # a - [ 0.000000000000000, 12.865185690000001, 0.000000000000000 ] # b - [ -0.816552630000000, 0.000000000000000, 14.901957220000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.405864600000000, 0.621811960000000, 0.054527950000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.919822640000000, 0.133827250000000, 0.567445810000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.513104420000000, 0.158064360000000, 0.735713420000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.212843790000000, 0.642620140000000, 0.653361430000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.882045010000000, 0.633272250000000, 0.540553020000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.004631840000000, 0.583985160000000, 0.270294250000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.212843790000000, 0.857379860000000, 0.153361430000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.919822640000000, 0.366172750000000, 0.067445810000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.600049020000000, 0.623296110000000, 0.446104150000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.302007470000000, 0.095186300000000, 0.360388960000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.787156210000000, 0.357379860000000, 0.346638570000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.117954990000000, 0.133272250000000, 0.959446980000000 ] mass: 22.989769 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.697992530000000, 0.595186300000000, 0.139611040000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.513104420000000, 0.341935640000000, 0.235713420000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.882045010000000, 0.866727750000000, 0.040553020000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.594135400000000, 0.378188040000000, 0.945472050000000 ] mass: 22.989769 reduced_to: 16 - symbol: Na # 17 coordinates: [ 0.697992530000000, 0.904813700000000, 0.639611040000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.080177360000000, 0.633827250000000, 0.932554190000000 ] mass: 22.989769 reduced_to: 18 - symbol: Na # 19 coordinates: [ 0.787156210000000, 0.142620140000000, 0.846638570000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.302007470000000, 0.404813700000000, 0.860388960000000 ] mass: 22.989769 reduced_to: 20 - symbol: Na # 21 coordinates: [ 0.486895580000000, 0.841935640000000, 0.264286580000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.594135400000000, 0.121811960000000, 0.445472050000000 ] mass: 22.989769 reduced_to: 22 - symbol: Na # 23 coordinates: [ 0.486895580000000, 0.658064360000000, 0.764286580000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 24 coordinates: [ 0.004631840000000, 0.916014840000000, 0.770294250000000 ] mass: 22.989769 reduced_to: 24 - symbol: Na # 25 coordinates: [ 0.399950980000000, 0.376703890000000, 0.553895850000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.405864600000000, 0.878188040000000, 0.554527950000000 ] mass: 22.989769 reduced_to: 26 - symbol: Na # 27 coordinates: [ 0.995368160000000, 0.083985160000000, 0.229705750000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 28 coordinates: [ 0.600049020000000, 0.876703890000000, 0.946104150000000 ] mass: 22.989769 reduced_to: 28 - symbol: Na # 29 coordinates: [ 0.995368160000000, 0.416014840000000, 0.729705750000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 30 coordinates: [ 0.080177360000000, 0.866172750000000, 0.432554190000000 ] mass: 22.989769 reduced_to: 30 - symbol: Na # 31 coordinates: [ 0.399950980000000, 0.123296110000000, 0.053895850000000 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 32 coordinates: [ 0.117954990000000, 0.366727750000000, 0.459446980000000 ] mass: 22.989769 reduced_to: 32 - symbol: Ge # 33 coordinates: [ 0.177693830000000, 0.301842310000000, 0.212706930000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 34 coordinates: [ 0.278866930000000, 0.663523770000000, 0.419086080000000 ] mass: 72.640000 reduced_to: 34 - symbol: Ge # 35 coordinates: [ 0.278866930000000, 0.836476230000000, 0.919086080000000 ] mass: 72.640000 reduced_to: 35 - symbol: Ge # 36 coordinates: [ 0.781611800000000, 0.590174810000000, 0.915566820000000 ] mass: 72.640000 reduced_to: 36 - symbol: Ge # 37 coordinates: [ 0.326737210000000, 0.558451080000000, 0.290878260000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 38 coordinates: [ 0.673262790000000, 0.441548920000000, 0.709121740000000 ] mass: 72.640000 reduced_to: 38 - symbol: Ge # 39 coordinates: [ 0.673262790000000, 0.058451080000000, 0.209121740000000 ] mass: 72.640000 reduced_to: 39 - symbol: Ge # 40 coordinates: [ 0.822306170000000, 0.698157690000000, 0.787293070000000 ] mass: 72.640000 reduced_to: 40 - symbol: Ge # 41 coordinates: [ 0.822306170000000, 0.801842310000000, 0.287293070000000 ] mass: 72.640000 reduced_to: 41 - symbol: Ge # 42 coordinates: [ 0.721133070000000, 0.163523770000000, 0.080913920000000 ] mass: 72.640000 reduced_to: 42 - symbol: Ge # 43 coordinates: [ 0.218388200000000, 0.409825190000000, 0.084433180000000 ] mass: 72.640000 reduced_to: 43 - symbol: Ge # 44 coordinates: [ 0.781611800000000, 0.909825190000000, 0.415566820000000 ] mass: 72.640000 reduced_to: 44 - symbol: Ge # 45 coordinates: [ 0.326737210000000, 0.941548920000000, 0.790878260000000 ] mass: 72.640000 reduced_to: 45 - symbol: Ge # 46 coordinates: [ 0.218388200000000, 0.090174810000000, 0.584433180000000 ] mass: 72.640000 reduced_to: 46 - symbol: Ge # 47 coordinates: [ 0.177693830000000, 0.198157690000000, 0.712706930000000 ] mass: 72.640000 reduced_to: 47 - symbol: Ge # 48 coordinates: [ 0.721133070000000, 0.336476230000000, 0.580913920000000 ] mass: 72.640000 reduced_to: 48 - symbol: Te # 49 coordinates: [ 0.288702420000000, 0.650236880000000, 0.855938440000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 50 coordinates: [ 0.498707190000000, 0.405114120000000, 0.744297370000000 ] mass: 127.600000 reduced_to: 50 - symbol: Te # 51 coordinates: [ 0.801181220000000, 0.096824740000000, 0.343816730000000 ] mass: 127.600000 reduced_to: 51 - symbol: Te # 52 coordinates: [ 0.595909430000000, 0.127043850000000, 0.950896010000000 ] mass: 127.600000 reduced_to: 52 - symbol: Te # 53 coordinates: [ 0.891500690000000, 0.113957000000000, 0.037430350000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 54 coordinates: [ 0.108499310000000, 0.613957000000000, 0.462569650000000 ] mass: 127.600000 reduced_to: 54 - symbol: Te # 55 coordinates: [ 0.992215640000000, 0.665719810000000, 0.736825050000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 56 coordinates: [ 0.311694990000000, 0.360700990000000, 0.337635670000000 ] mass: 127.600000 reduced_to: 56 - symbol: Te # 57 coordinates: [ 0.208302770000000, 0.113868590000000, 0.164059890000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 58 coordinates: [ 0.198818780000000, 0.903175260000000, 0.656183270000000 ] mass: 127.600000 reduced_to: 58 - symbol: Te # 59 coordinates: [ 0.688305010000000, 0.860700990000000, 0.162364330000000 ] mass: 127.600000 reduced_to: 59 - symbol: Te # 60 coordinates: [ 0.501292810000000, 0.594885880000000, 0.255702630000000 ] mass: 127.600000 reduced_to: 60 - symbol: Te # 61 coordinates: [ 0.498707190000000, 0.094885880000000, 0.244297370000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 62 coordinates: [ 0.007784360000000, 0.334280190000000, 0.263174950000000 ] mass: 127.600000 reduced_to: 62 - symbol: Te # 63 coordinates: [ 0.898970930000000, 0.621816120000000, 0.051176970000000 ] mass: 127.600000 reduced_to: 63 - symbol: Te # 64 coordinates: [ 0.311694990000000, 0.139299010000000, 0.837635670000000 ] mass: 127.600000 reduced_to: 64 - symbol: Te # 65 coordinates: [ 0.711297580000000, 0.349763120000000, 0.144061560000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 66 coordinates: [ 0.501292810000000, 0.905114120000000, 0.755702630000000 ] mass: 127.600000 reduced_to: 66 - symbol: Te # 67 coordinates: [ 0.101029070000000, 0.121816120000000, 0.448823030000000 ] mass: 127.600000 reduced_to: 67 - symbol: Te # 68 coordinates: [ 0.101029070000000, 0.378183880000000, 0.948823030000000 ] mass: 127.600000 reduced_to: 68 - symbol: Te # 69 coordinates: [ 0.688305010000000, 0.639299010000000, 0.662364330000000 ] mass: 127.600000 reduced_to: 69 - symbol: Te # 70 coordinates: [ 0.992215640000000, 0.834280190000000, 0.236825050000000 ] mass: 127.600000 reduced_to: 70 - symbol: Te # 71 coordinates: [ 0.108499310000000, 0.886043000000000, 0.962569650000000 ] mass: 127.600000 reduced_to: 71 - symbol: Te # 72 coordinates: [ 0.791697230000000, 0.886131410000000, 0.835940110000000 ] mass: 127.600000 reduced_to: 72 - symbol: Te # 73 coordinates: [ 0.007784360000000, 0.165719810000000, 0.763174950000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 74 coordinates: [ 0.288702420000000, 0.849763120000000, 0.355938440000000 ] mass: 127.600000 reduced_to: 74 - symbol: Te # 75 coordinates: [ 0.404090570000000, 0.627043850000000, 0.549103990000000 ] mass: 127.600000 reduced_to: 75 - symbol: Te # 76 coordinates: [ 0.208302770000000, 0.386131410000000, 0.664059890000000 ] mass: 127.600000 reduced_to: 76 - symbol: Te # 77 coordinates: [ 0.393905640000000, 0.371710650000000, 0.052029250000000 ] mass: 127.600000 reduced_to: 77 - symbol: Te # 78 coordinates: [ 0.404090570000000, 0.872956150000000, 0.049103990000000 ] mass: 127.600000 reduced_to: 78 - symbol: Te # 79 coordinates: [ 0.606094360000000, 0.628289350000000, 0.947970750000000 ] mass: 127.600000 reduced_to: 79 - symbol: Te # 80 coordinates: [ 0.393905640000000, 0.128289350000000, 0.552029250000000 ] mass: 127.600000 reduced_to: 80 - symbol: Te # 81 coordinates: [ 0.711297580000000, 0.150236880000000, 0.644061560000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 82 coordinates: [ 0.898970930000000, 0.878183880000000, 0.551176970000000 ] mass: 127.600000 reduced_to: 82 - symbol: Te # 83 coordinates: [ 0.791697230000000, 0.613868590000000, 0.335940110000000 ] mass: 127.600000 reduced_to: 83 - symbol: Te # 84 coordinates: [ 0.891500690000000, 0.386043000000000, 0.537430350000000 ] mass: 127.600000 reduced_to: 84 - symbol: Te # 85 coordinates: [ 0.606094360000000, 0.871710650000000, 0.447970750000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 86 coordinates: [ 0.801181220000000, 0.403175260000000, 0.843816730000000 ] mass: 127.600000 reduced_to: 86 - symbol: Te # 87 coordinates: [ 0.198818780000000, 0.596824740000000, 0.156183270000000 ] mass: 127.600000 reduced_to: 87 - symbol: Te # 88 coordinates: [ 0.595909430000000, 0.372956150000000, 0.450896010000000 ] mass: 127.600000 reduced_to: 88displacements:- atom: 1 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ -0.0101956200000000, -0.0003750200000000, 0.0002885800000000 ] - [ 0.0001254000000000, 0.0000694700000000, 0.0000297200000000 ] - [ 0.0001697500000000, -0.0001360900000000, 0.0000006200000000 ] - [ 0.0000254100000000, 0.0000394700000000, 0.0002700300000000 ] - [ 0.0000169400000000, 0.0000180000000000, 0.0000442600000000 ] - [ 0.0001906700000000, -0.0002307300000000, -0.0001165200000000 ] - [ 0.0000209300000000, -0.0005018000000000, -0.0000443400000000 ] - [ 0.0002291400000000, -0.0001285600000000, 0.0000669400000000 ] - [ -0.0001744100000000, 0.0002466900000000, 0.0001362300000000 ] - [ 0.0001892900000000, -0.0000921600000000, -0.0000122900000000 ] - [ 0.0002799600000000, 0.0000093000000000, -0.0001165300000000 ] - [ 0.0000456800000000, 0.0000488800000000, -0.0001157000000000 ] - [ 0.0006913600000000, -0.0002227100000000, 0.0006638500000000 ] - [ 0.0001160100000000, -0.0000962200000000, -0.0000600700000000 ] - [ 0.0000932300000000, 0.0000679800000000, 0.0001613200000000 ] - [ -0.0000151700000000, -0.0008340100000000, -0.0003541100000000 ] - [ -0.0002883600000000, 0.0001261200000000, -0.0000416900000000 ] - [ 0.0004898600000000, 0.0000249200000000, 0.0001733400000000 ] - [ 0.0002123800000000, -0.0000157800000000, -0.0000742300000000 ] - [ 0.0001279900000000, 0.0003832800000000, 0.0002487600000000 ] - [ -0.0003709700000000, 0.0002809400000000, 0.0000677800000000 ] - [ 0.0000304000000000, 0.0002339800000000, -0.0003006900000000 ] - [ -0.0007133200000000, 0.0000174400000000, -0.0002866900000000 ] - [ -0.0001091600000000, 0.0002175100000000, 0.0000400800000000 ] - [ 0.0001283900000000, -0.0002150700000000, -0.0001985100000000 ] - [ -0.0001337000000000, -0.0002670600000000, 0.0002855600000000 ] - [ 0.0003025500000000, -0.0000995000000000, 0.0000156000000000 ] - [ -0.0003326600000000, 0.0002630100000000, 0.0000892600000000 ] - [ 0.0003856600000000, 0.0000837700000000, 0.0000166600000000 ] - [ -0.0000000700000000, -0.0000643900000000, -0.0000085300000000 ] - [ 0.0002498200000000, 0.0002807400000000, -0.0001518400000000 ] - [ 0.0000658400000000, -0.0000226700000000, -0.0001615500000000 ] - [ 0.0001569300000000, 0.0001987800000000, -0.0004312200000000 ] - [ -0.0000914700000000, -0.0000997300000000, -0.0001663800000000 ] - [ -0.0002045600000000, -0.0016647100000000, -0.0000046800000000 ] - [ 0.0020490500000000, -0.0008655500000000, 0.0001707600000000 ] - [ -0.0023679700000000, -0.0000456300000000, -0.0014423400000000 ] - [ -0.0004455400000000, 0.0000198600000000, -0.0005048800000000 ] - [ -0.0004798400000000, 0.0000420300000000, -0.0001869700000000 ] - [ -0.0002259600000000, 0.0005315900000000, -0.0004927700000000 ] - [ 0.0002124900000000, 0.0000058500000000, 0.0001066700000000 ] - [ 0.0004170700000000, -0.0002085500000000, -0.0001849200000000 ] - [ 0.0005473400000000, 0.0026681300000000, 0.0007988200000000 ] - [ -0.0002907300000000, 0.0000302800000000, -0.0002340500000000 ] - [ 0.0000160600000000, 0.0000765100000000, 0.0005271300000000 ] - [ 0.0001164000000000, -0.0001436800000000, 0.0003117100000000 ] - [ 0.0001468800000000, 0.0000263400000000, -0.0000455500000000 ] - [ 0.0005317000000000, 0.0000235200000000, -0.0000193800000000 ] - [ 0.0008940100000000, 0.0003993400000000, 0.0010357000000000 ] - [ 0.0001685000000000, -0.0000301100000000, 0.0000528600000000 ] - [ 0.0002071700000000, 0.0001024600000000, 0.0003045200000000 ] - [ 0.0003230700000000, -0.0004224200000000, -0.0002255200000000 ] - [ 0.0001677200000000, 0.0000790500000000, -0.0002055200000000 ] - [ -0.0002092900000000, 0.0000848300000000, 0.0003015600000000 ] - [ -0.0004737500000000, 0.0000097300000000, 0.0006271900000000 ] - [ 0.0003585700000000, 0.0000971100000000, 0.0003538400000000 ] - [ 0.0004151100000000, -0.0004553500000000, 0.0001880900000000 ] - [ -0.0000839900000000, -0.0001508900000000, -0.0003591400000000 ] - [ -0.0001313400000000, -0.0000036400000000, -0.0002128300000000 ] - [ 0.0019900900000000, 0.0001425500000000, 0.0020489600000000 ] - [ 0.0001492300000000, 0.0001166100000000, -0.0000173400000000 ] - [ -0.0001858800000000, -0.0003279100000000, -0.0000740900000000 ] - [ -0.0004372200000000, -0.0002278400000000, 0.0002727400000000 ] - [ 0.0001234300000000, 0.0000802300000000, 0.0000815200000000 ] - [ -0.0000126300000000, 0.0002849500000000, 0.0001898600000000 ] - [ 0.0002235300000000, -0.0001484100000000, 0.0000220100000000 ] - [ -0.0000982700000000, -0.0002392000000000, -0.0003674500000000 ] - [ -0.0001612000000000, 0.0000541700000000, -0.0003403300000000 ] - [ -0.0001780100000000, -0.0000226800000000, 0.0000363900000000 ] - [ -0.0001574800000000, -0.0001435500000000, 0.0001280100000000 ] - [ -0.0003282300000000, 0.0001770100000000, 0.0001371700000000 ] - [ -0.0004909100000000, -0.0001506100000000, 0.0000482500000000 ] - [ -0.0001762700000000, 0.0000970700000000, -0.0002466300000000 ] - [ -0.0000053600000000, 0.0000303300000000, -0.0000827000000000 ] - [ 0.0000134100000000, -0.0003911400000000, 0.0002591700000000 ] - [ 0.0004092000000000, 0.0001698800000000, 0.0000888800000000 ] - [ 0.0005003400000000, 0.0000908500000000, -0.0001075700000000 ] - [ 0.0002462700000000, 0.0006940300000000, 0.0001715700000000 ] - [ 0.0017485500000000, 0.0004525700000000, -0.0025243100000000 ] - [ 0.0000946000000000, -0.0002820600000000, -0.0000477800000000 ] - [ -0.0000013900000000, 0.0000406000000000, 0.0001923200000000 ] - [ 0.0000243900000000, 0.0002508700000000, 0.0003590700000000 ] - [ -0.0004320600000000, -0.0001472900000000, -0.0001002600000000 ] - [ 0.0001841200000000, -0.0000192400000000, -0.0001468100000000 ] - [ -0.0000619800000000, 0.0002565600000000, 0.0000864700000000 ] - [ -0.0000762500000000, 0.0000197000000000, 0.0005887900000000 ] - [ 0.0033627900000000, -0.0006560000000000, -0.0011411800000000 ] - [ 0.0001563300000000, 0.0003830600000000, -0.0001327200000000 ]- atom: 1 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ 0.0100999600000000, 0.0008851100000000, 0.0002700100000000 ] - [ 0.0000001400000000, 0.0000636200000000, 0.0000005000000000 ] - [ 0.0002848000000000, -0.0000286100000000, -0.0000204800000000 ] - [ -0.0004435400000000, -0.0000471700000000, -0.0000420100000000 ] - [ -0.0000689400000000, 0.0000315900000000, 0.0002020900000000 ] - [ -0.0006625400000000, -0.0000560800000000, 0.0001036100000000 ] - [ -0.0004389200000000, 0.0005144000000000, 0.0002712900000000 ] - [ -0.0001025300000000, -0.0000035300000000, -0.0000347300000000 ] - [ -0.0002458600000000, 0.0001887300000000, 0.0001372400000000 ] - [ 0.0002448600000000, -0.0001193400000000, 0.0000312700000000 ] - [ 0.0001372500000000, -0.0000013700000000, -0.0001091700000000 ] - [ 0.0000057100000000, 0.0000025600000000, -0.0001299100000000 ] - [ -0.0011148300000000, 0.0000094800000000, -0.0006737400000000 ] - [ 0.0003376100000000, 0.0002597000000000, 0.0000400700000000 ] - [ -0.0001450300000000, -0.0001191300000000, 0.0000851900000000 ] - [ 0.0001770600000000, 0.0003375500000000, -0.0002087000000000 ] - [ -0.0001476200000000, 0.0000852700000000, 0.0000232400000000 ] - [ -0.0006196300000000, 0.0001071500000000, -0.0002078100000000 ] - [ 0.0002044200000000, 0.0000090500000000, -0.0001510400000000 ] - [ 0.0003075700000000, -0.0001704700000000, -0.0002288300000000 ] - [ -0.0000864000000000, -0.0001177300000000, -0.0000488900000000 ] - [ 0.0001280600000000, 0.0002583300000000, -0.0002564500000000 ] - [ 0.0002547000000000, -0.0001799700000000, 0.0003058600000000 ] - [ -0.0003641100000000, 0.0000692800000000, -0.0000521700000000 ] - [ 0.0002913400000000, -0.0002214100000000, -0.0000730900000000 ] - [ -0.0000269200000000, -0.0002252700000000, 0.0002721700000000 ] - [ 0.0001703200000000, -0.0001872200000000, -0.0000030700000000 ] - [ -0.0000893800000000, -0.0006959900000000, 0.0001893500000000 ] - [ 0.0000873800000000, 0.0002026800000000, -0.0000050700000000 ] - [ -0.0001264000000000, -0.0000691700000000, -0.0000224500000000 ] - [ 0.0001688200000000, 0.0001557300000000, -0.0001263300000000 ] - [ -0.0000149000000000, -0.0000270400000000, -0.0000841700000000 ] - [ -0.0001373200000000, -0.0001749700000000, 0.0003688300000000 ] - [ -0.0007234900000000, 0.0000433800000000, 0.0000250100000000 ] - [ -0.0005990900000000, 0.0017262900000000, -0.0001388900000000 ] - [ -0.0024856700000000, 0.0007839500000000, -0.0006130900000000 ] - [ 0.0028409500000000, -0.0003191700000000, 0.0019951600000000 ] - [ -0.0000146700000000, 0.0003401100000000, -0.0000586400000000 ] - [ 0.0000177200000000, -0.0004082300000000, -0.0003696100000000 ] - [ 0.0002036800000000, -0.0005610000000000, 0.0005641000000000 ] - [ -0.0002362300000000, 0.0000253000000000, -0.0000359700000000 ] - [ 0.0003941400000000, 0.0001478800000000, 0.0003280300000000 ] - [ -0.0000940200000000, -0.0025976900000000, -0.0003708500000000 ] - [ -0.0001577600000000, 0.0000529500000000, -0.0002046800000000 ] - [ 0.0004404900000000, 0.0002902300000000, 0.0000312900000000 ] - [ 0.0003280000000000, 0.0000645400000000, 0.0001313700000000 ] - [ -0.0001270600000000, -0.0000545500000000, -0.0000274800000000 ] - [ 0.0002824000000000, 0.0000304300000000, 0.0001545400000000 ] - [ -0.0009494800000000, -0.0004604500000000, -0.0014389300000000 ] - [ -0.0001488600000000, -0.0002312800000000, -0.0001978100000000 ] - [ 0.0001339400000000, 0.0002374000000000, 0.0003181700000000 ] - [ -0.0000342900000000, -0.0004367200000000, -0.0001910300000000 ] - [ 0.0003232600000000, 0.0000465100000000, -0.0001910100000000 ] - [ -0.0002815500000000, 0.0000404600000000, 0.0000990000000000 ] - [ 0.0005265500000000, 0.0002523900000000, -0.0002798800000000 ] - [ -0.0000767600000000, 0.0000638200000000, -0.0000527300000000 ] - [ 0.0004492000000000, 0.0001512700000000, -0.0000097900000000 ] - [ -0.0002567500000000, -0.0001885400000000, -0.0002622600000000 ] - [ -0.0001549500000000, 0.0001621200000000, -0.0000899700000000 ] - [ -0.0020116500000000, 0.0001155600000000, -0.0018751700000000 ] - [ -0.0001335000000000, 0.0001456700000000, -0.0001274700000000 ] - [ 0.0001297800000000, 0.0000657600000000, -0.0002709900000000 ] - [ 0.0005824600000000, -0.0003035300000000, 0.0004181500000000 ] - [ 0.0001591200000000, -0.0002399200000000, 0.0002181400000000 ] - [ 0.0000567300000000, -0.0002154000000000, 0.0001808200000000 ] - [ -0.0002405200000000, -0.0001145900000000, 0.0001238200000000 ] - [ -0.0000517300000000, -0.0002913300000000, -0.0003242100000000 ] - [ 0.0000110200000000, 0.0004782500000000, -0.0003504500000000 ] - [ -0.0001069700000000, -0.0001362700000000, -0.0003375800000000 ] - [ 0.0002137900000000, -0.0001176000000000, 0.0002165900000000 ] - [ -0.0001634400000000, -0.0003033800000000, 0.0002600800000000 ] - [ -0.0003762100000000, 0.0004546600000000, -0.0002242500000000 ] - [ 0.0001219800000000, 0.0001654600000000, -0.0000982900000000 ] - [ -0.0000392900000000, 0.0000367300000000, -0.0002879200000000 ] - [ -0.0003023900000000, -0.0004692500000000, 0.0001599200000000 ] - [ 0.0004542500000000, 0.0001337300000000, 0.0000920600000000 ] - [ -0.0003895000000000, 0.0005115500000000, -0.0000265900000000 ] - [ -0.0005411400000000, 0.0001498600000000, 0.0002427700000000 ] - [ -0.0017517200000000, -0.0010378000000000, 0.0025858600000000 ] - [ 0.0000186300000000, -0.0003015200000000, -0.0000897300000000 ] - [ 0.0000445900000000, -0.0001090100000000, 0.0001794900000000 ] - [ 0.0001235400000000, 0.0002798900000000, 0.0003331200000000 ] - [ -0.0004338700000000, -0.0001607300000000, -0.0000785300000000 ] - [ 0.0003060700000000, -0.0001061600000000, -0.0002533200000000 ] - [ -0.0000517300000000, 0.0003278900000000, 0.0000524800000000 ] - [ 0.0004175400000000, -0.0003573600000000, 0.0000352800000000 ] - [ -0.0038423100000000, 0.0009842100000000, 0.0005946300000000 ] - [ 0.0001316200000000, 0.0004774600000000, -0.0002854000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006934200000000, -0.0145725600000000, 0.0018875700000000 ] - [ 0.0000627500000000, 0.0000719200000000, 0.0000127000000000 ] - [ 0.0002325500000000, -0.0000195700000000, -0.0000042800000000 ] - [ -0.0002430300000000, 0.0000135400000000, -0.0000392800000000 ] - [ -0.0000161700000000, 0.0000198800000000, 0.0001052200000000 ] - [ -0.0001330500000000, -0.0001415100000000, -0.0000529300000000 ] - [ -0.0008600800000000, 0.0001722800000000, 0.0005548200000000 ] - [ 0.0001411100000000, -0.0000734500000000, 0.0000028700000000 ] - [ -0.0002598600000000, 0.0002622100000000, 0.0000747200000000 ] - [ 0.0001991900000000, -0.0000709600000000, -0.0000330500000000 ] - [ 0.0002714100000000, -0.0000161700000000, -0.0001619900000000 ] - [ 0.0000399500000000, 0.0002668100000000, -0.0000661900000000 ] - [ -0.0003667900000000, -0.0002928900000000, -0.0000336600000000 ] - [ -0.0000488000000000, 0.0002290600000000, -0.0005220400000000 ] - [ -0.0001027500000000, -0.0000352300000000, 0.0001632200000000 ] - [ -0.0004980200000000, 0.0000587600000000, 0.0000425200000000 ] - [ -0.0001702500000000, 0.0000960500000000, -0.0000514800000000 ] - [ -0.0001361800000000, -0.0001493100000000, 0.0000735800000000 ] - [ 0.0002185300000000, -0.0000069000000000, -0.0001033200000000 ] - [ 0.0005279600000000, 0.0001866400000000, 0.0008517300000000 ] - [ 0.0000046500000000, 0.0002756300000000, 0.0007237600000000 ] - [ 0.0000924300000000, 0.0002397300000000, -0.0002793200000000 ] - [ -0.0001123900000000, -0.0001748500000000, -0.0000711400000000 ] - [ -0.0002870600000000, 0.0001602700000000, -0.0001072700000000 ] - [ 0.0002090100000000, -0.0001965700000000, -0.0001777200000000 ] - [ -0.0000601000000000, -0.0002774300000000, 0.0002139400000000 ] - [ 0.0002691100000000, -0.0001063300000000, -0.0000003400000000 ] - [ 0.0003430300000000, -0.0001109500000000, -0.0001035700000000 ] - [ 0.0002505600000000, 0.0001369000000000, 0.0000754300000000 ] - [ -0.0000921400000000, -0.0000892500000000, -0.0000511500000000 ] - [ 0.0001426100000000, 0.0012660200000000, -0.0000204000000000 ] - [ 0.0000551600000000, -0.0000071900000000, -0.0001942800000000 ] - [ 0.0000090400000000, 0.0005805900000000, -0.0004155600000000 ] - [ -0.0003493800000000, -0.0002971300000000, -0.0002143400000000 ] - [ -0.0026093800000000, 0.0001925800000000, -0.0028934500000000 ] - [ -0.0001108600000000, 0.0004897000000000, -0.0001289300000000 ] - [ 0.0002880000000000, -0.0002670800000000, -0.0002713400000000 ] - [ -0.0003727200000000, 0.0001404600000000, -0.0003095700000000 ] - [ -0.0002538300000000, -0.0000795400000000, -0.0002259700000000 ] - [ -0.0000276300000000, -0.0001089200000000, 0.0000157600000000 ] - [ 0.0000928500000000, -0.0001498200000000, 0.0001899600000000 ] - [ 0.0004445100000000, 0.0001246900000000, 0.0002375600000000 ] - [ 0.0036395300000000, -0.0000188800000000, -0.0006096000000000 ] - [ -0.0003058800000000, 0.0001207200000000, -0.0002200300000000 ] - [ 0.0004197000000000, 0.0007315700000000, -0.0000762300000000 ] - [ 0.0002962200000000, 0.0001417100000000, 0.0001665200000000 ] - [ -0.0001597200000000, 0.0000347900000000, 0.0000015700000000 ] - [ 0.0004461200000000, 0.0001299600000000, 0.0000625000000000 ] - [ -0.0000382100000000, 0.0006188700000000, -0.0000524100000000 ] - [ 0.0001336500000000, -0.0000981700000000, -0.0001605400000000 ] - [ 0.0001824600000000, 0.0001527400000000, 0.0003049700000000 ] - [ 0.0000860100000000, -0.0007052000000000, -0.0002732400000000 ] - [ 0.0002339900000000, -0.0000151900000000, -0.0002322800000000 ] - [ -0.0002929600000000, 0.0001381900000000, 0.0003063400000000 ] - [ 0.0000931400000000, 0.0001907400000000, 0.0001145700000000 ] - [ 0.0001477800000000, 0.0001366800000000, 0.0004135100000000 ] - [ 0.0001786500000000, -0.0006078800000000, 0.0002466600000000 ] - [ -0.0001725700000000, -0.0004076500000000, 0.0000241300000000 ] - [ -0.0001306500000000, 0.0000771900000000, -0.0002954400000000 ] - [ -0.0003411500000000, 0.0005536400000000, -0.0006352300000000 ] - [ -0.0000012800000000, -0.0000799900000000, -0.0001027200000000 ] - [ -0.0002595700000000, -0.0003429900000000, 0.0000882200000000 ] - [ 0.0000602300000000, -0.0002137800000000, 0.0003129000000000 ] - [ 0.0002973800000000, -0.0002522500000000, 0.0002734800000000 ] - [ 0.0001787600000000, -0.0001767300000000, 0.0001566100000000 ] - [ -0.0001292300000000, -0.0002308500000000, 0.0003181700000000 ] - [ -0.0000675200000000, -0.0003326900000000, -0.0002494300000000 ] - [ -0.0005817900000000, 0.0003696000000000, -0.0004154000000000 ] - [ -0.0000958400000000, -0.0000439600000000, -0.0001606500000000 ] - [ -0.0001076300000000, -0.0000855300000000, 0.0001552100000000 ] - [ 0.0001918600000000, -0.0000920000000000, 0.0004549100000000 ] - [ -0.0003980400000000, 0.0001893500000000, -0.0000732600000000 ] - [ -0.0000161600000000, 0.0000300700000000, -0.0002230700000000 ] - [ 0.0000113800000000, 0.0001749500000000, -0.0003256400000000 ] - [ -0.0001666400000000, -0.0003733400000000, 0.0003939800000000 ] - [ 0.0004450700000000, 0.0001603700000000, 0.0000573600000000 ] - [ -0.0009306100000000, 0.0064167600000000, 0.0003126800000000 ] - [ 0.0006805100000000, 0.0062763300000000, 0.0011678000000000 ] - [ 0.0003152800000000, -0.0010535500000000, -0.0003208300000000 ] - [ 0.0000487200000000, -0.0003560300000000, -0.0000086800000000 ] - [ 0.0000140400000000, -0.0000598800000000, 0.0001965300000000 ] - [ 0.0000900600000000, 0.0002520500000000, 0.0003279000000000 ] - [ -0.0003850900000000, -0.0001103800000000, -0.0000919300000000 ] - [ 0.0002335800000000, -0.0000752600000000, -0.0001681800000000 ] - [ -0.0000235000000000, 0.0003103100000000, 0.0000969600000000 ] - [ 0.0000678000000000, -0.0000731300000000, 0.0003570200000000 ] - [ -0.0001025500000000, 0.0004875900000000, -0.0001217300000000 ] - [ 0.0001241200000000, 0.0003710500000000, -0.0001867900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005391400000000, 0.0150573900000000, -0.0013029100000000 ] - [ 0.0000627800000000, 0.0000606400000000, 0.0000141200000000 ] - [ 0.0002220100000000, -0.0001443700000000, -0.0000133200000000 ] - [ -0.0001779200000000, -0.0000161600000000, 0.0002683400000000 ] - [ -0.0000392300000000, 0.0000303000000000, 0.0001392200000000 ] - [ -0.0003368000000000, -0.0001463200000000, 0.0000362400000000 ] - [ 0.0004349100000000, -0.0001677500000000, -0.0003245500000000 ] - [ -0.0000166300000000, -0.0000569700000000, 0.0000206500000000 ] - [ -0.0001585000000000, 0.0001730600000000, 0.0001995700000000 ] - [ 0.0002396700000000, -0.0001362700000000, 0.0000506200000000 ] - [ 0.0001499300000000, 0.0000196100000000, -0.0000662000000000 ] - [ 0.0000160600000000, -0.0002146600000000, -0.0001780700000000 ] - [ -0.0000734400000000, 0.0000849500000000, 0.0000157200000000 ] - [ 0.0005043500000000, -0.0000676600000000, 0.0005077400000000 ] - [ 0.0000469400000000, -0.0000172700000000, 0.0000806500000000 ] - [ 0.0006692100000000, -0.0005543500000000, -0.0006061100000000 ] - [ -0.0002671600000000, 0.0001114600000000, 0.0000340900000000 ] - [ 0.0000130900000000, 0.0002802500000000, -0.0000972100000000 ] - [ 0.0002029800000000, 0.0000043900000000, -0.0001246600000000 ] - [ -0.0000913000000000, 0.0000201700000000, -0.0008403400000000 ] - [ -0.0004562800000000, -0.0001096100000000, -0.0007012500000000 ] - [ 0.0000701900000000, 0.0002534400000000, -0.0002769500000000 ] - [ -0.0003418500000000, 0.0000119800000000, 0.0000891600000000 ] - [ -0.0001833800000000, 0.0001275800000000, 0.0000900600000000 ] - [ 0.0002097000000000, -0.0002390600000000, -0.0000973400000000 ] - [ -0.0001018300000000, -0.0002157700000000, 0.0003427800000000 ] - [ 0.0002024500000000, -0.0001825100000000, 0.0000168300000000 ] - [ -0.0007573500000000, -0.0003236400000000, 0.0003832000000000 ] - [ 0.0002208900000000, 0.0001512600000000, -0.0000590200000000 ] - [ -0.0000334000000000, -0.0000435500000000, 0.0000232600000000 ] - [ 0.0002755000000000, -0.0008289000000000, -0.0002604000000000 ] - [ 0.0000010000000000, -0.0000428400000000, -0.0000499100000000 ] - [ 0.0000156000000000, -0.0005524400000000, 0.0003445900000000 ] - [ -0.0004618000000000, 0.0002310600000000, 0.0000684900000000 ] - [ 0.0017853000000000, -0.0001271900000000, 0.0027298000000000 ] - [ -0.0003423700000000, -0.0005680400000000, -0.0003124700000000 ] - [ 0.0001816500000000, -0.0000913600000000, 0.0008221700000000 ] - [ -0.0000925500000000, 0.0002237300000000, -0.0002450700000000 ] - [ -0.0002116800000000, -0.0002857400000000, -0.0003293000000000 ] - [ 0.0000077500000000, 0.0000769500000000, 0.0000577500000000 ] - [ -0.0001145800000000, 0.0001772700000000, -0.0001198000000000 ] - [ 0.0003677300000000, -0.0001875300000000, -0.0000927500000000 ] - [ -0.0032091800000000, 0.0001038900000000, 0.0010559900000000 ] - [ -0.0001451100000000, -0.0000352500000000, -0.0002193200000000 ] - [ 0.0000487300000000, -0.0003652400000000, 0.0006325400000000 ] - [ 0.0001545600000000, -0.0002200700000000, 0.0002748400000000 ] - [ 0.0001771200000000, -0.0000616600000000, -0.0000747700000000 ] - [ 0.0003660700000000, -0.0000690100000000, 0.0000802800000000 ] - [ -0.0000035200000000, -0.0006823800000000, -0.0003062800000000 ] - [ -0.0001087500000000, -0.0001669400000000, 0.0000135100000000 ] - [ 0.0001653600000000, 0.0001934900000000, 0.0003165200000000 ] - [ 0.0002079500000000, -0.0001560100000000, -0.0001372400000000 ] - [ 0.0002511300000000, 0.0001404600000000, -0.0001615800000000 ] - [ -0.0001902600000000, -0.0000125200000000, 0.0000913700000000 ] - [ -0.0000410400000000, 0.0000701300000000, 0.0002346700000000 ] - [ 0.0001357600000000, 0.0000198800000000, -0.0001078900000000 ] - [ 0.0006842700000000, 0.0003055900000000, -0.0000721400000000 ] - [ -0.0001738400000000, 0.0000620500000000, -0.0006432100000000 ] - [ -0.0001542700000000, 0.0000806300000000, -0.0000113200000000 ] - [ 0.0003078000000000, -0.0002842700000000, 0.0007658400000000 ] - [ 0.0000224200000000, 0.0003439800000000, -0.0000431500000000 ] - [ 0.0002101600000000, 0.0000824100000000, -0.0004383900000000 ] - [ 0.0000915100000000, -0.0003175100000000, 0.0003739900000000 ] - [ -0.0000140800000000, 0.0000949100000000, 0.0000313000000000 ] - [ -0.0001320100000000, 0.0002391700000000, 0.0002130500000000 ] - [ 0.0001080100000000, -0.0000332500000000, -0.0001700600000000 ] - [ -0.0000823900000000, -0.0001974600000000, -0.0004385900000000 ] - [ 0.0004350800000000, 0.0001593300000000, -0.0002738100000000 ] - [ -0.0001866400000000, -0.0001136500000000, -0.0001463300000000 ] - [ 0.0001599600000000, -0.0001732400000000, 0.0001931600000000 ] - [ -0.0006727000000000, -0.0000326000000000, -0.0000591200000000 ] - [ -0.0004654300000000, 0.0001119100000000, -0.0001008100000000 ] - [ -0.0000321300000000, 0.0002301500000000, -0.0001254300000000 ] - [ -0.0000566700000000, -0.0001121800000000, -0.0000464800000000 ] - [ -0.0001257500000000, -0.0004870000000000, 0.0000188300000000 ] - [ 0.0004177400000000, 0.0001398600000000, 0.0001207800000000 ] - [ 0.0010233700000000, -0.0061312600000000, -0.0004527300000000 ] - [ -0.0009752500000000, -0.0051219700000000, -0.0007617000000000 ] - [ -0.0004344000000000, 0.0004601200000000, 0.0004659600000000 ] - [ 0.0000559000000000, -0.0002282000000000, -0.0001266100000000 ] - [ 0.0000320700000000, -0.0000015000000000, 0.0001740000000000 ] - [ 0.0000604600000000, 0.0002778700000000, 0.0003605000000000 ] - [ -0.0004769500000000, -0.0001915800000000, -0.0000840700000000 ] - [ 0.0002488700000000, -0.0000501700000000, -0.0002288600000000 ] - [ -0.0000803400000000, 0.0002744800000000, 0.0000392700000000 ] - [ 0.0002817600000000, -0.0002711800000000, 0.0002636500000000 ] - [ -0.0002360100000000, -0.0001398900000000, -0.0005032500000000 ] - [ 0.0001699200000000, 0.0004901300000000, -0.0002243000000000 ]- atom: 1 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ 0.0003689900000000, 0.0018907700000000, -0.0124826900000000 ] - [ 0.0000638000000000, 0.0000749900000000, 0.0000285700000000 ] - [ 0.0001980400000000, -0.0000801300000000, 0.0000023000000000 ] - [ -0.0002425900000000, 0.0000869000000000, 0.0006113600000000 ] - [ -0.0001105500000000, 0.0000318600000000, 0.0002744400000000 ] - [ -0.0004747500000000, -0.0001111300000000, 0.0000350900000000 ] - [ -0.0003748600000000, 0.0003489500000000, -0.0000206100000000 ] - [ 0.0000237000000000, -0.0000205300000000, -0.0000643500000000 ] - [ 0.0000565800000000, 0.0003017800000000, 0.0005610200000000 ] - [ 0.0002405500000000, -0.0001062800000000, 0.0000398700000000 ] - [ 0.0002328900000000, -0.0000356700000000, -0.0000975000000000 ] - [ 0.0000283600000000, -0.0000620900000000, -0.0001680700000000 ] - [ 0.0003746500000000, -0.0001097200000000, -0.0003690200000000 ] - [ 0.0002743300000000, -0.0004353300000000, -0.0000579700000000 ] - [ 0.0000058200000000, -0.0000867800000000, 0.0000178600000000 ] - [ 0.0000156800000000, 0.0001083000000000, -0.0003561900000000 ] - [ -0.0002404300000000, 0.0000653100000000, 0.0000883900000000 ] - [ 0.0001890600000000, 0.0001898900000000, -0.0003472100000000 ] - [ 0.0002232900000000, -0.0000016400000000, -0.0001234300000000 ] - [ 0.0004621000000000, 0.0007859400000000, 0.0002536000000000 ] - [ -0.0000916800000000, 0.0008226700000000, 0.0002024000000000 ] - [ 0.0000630800000000, 0.0002485000000000, -0.0002798200000000 ] - [ -0.0005061800000000, -0.0001295300000000, 0.0006122600000000 ] - [ -0.0002240000000000, 0.0000596900000000, 0.0000446600000000 ] - [ 0.0002182500000000, -0.0002769200000000, 0.0000040900000000 ] - [ -0.0000714300000000, -0.0001811400000000, 0.0004054300000000 ] - [ 0.0002217800000000, -0.0001630100000000, -0.0000017600000000 ] - [ -0.0002485200000000, -0.0004663300000000, 0.0000962800000000 ] - [ 0.0002174200000000, 0.0002070600000000, 0.0000292400000000 ] - [ -0.0001286100000000, -0.0000063900000000, 0.0000323100000000 ] - [ 0.0002104800000000, 0.0001507100000000, -0.0000725200000000 ] - [ -0.0000283000000000, -0.0000741900000000, -0.0000150400000000 ] - [ -0.0002437500000000, -0.0001590700000000, -0.0001416300000000 ] - [ -0.0004809900000000, 0.0004031700000000, 0.0005378900000000 ] - [ -0.0000941700000000, -0.0026579700000000, -0.0008470400000000 ] - [ -0.0013556300000000, 0.0006017700000000, -0.0000449900000000 ] - [ -0.0020106200000000, -0.0012739600000000, 0.0022579200000000 ] - [ -0.0003410300000000, 0.0002810500000000, -0.0001437500000000 ] - [ -0.0003168600000000, -0.0001217400000000, -0.0002131600000000 ] - [ 0.0003281200000000, -0.0003433500000000, 0.0002046300000000 ] - [ -0.0000341000000000, 0.0001669700000000, 0.0000001800000000 ] - [ 0.0003802800000000, -0.0001384000000000, -0.0000157500000000 ] - [ 0.0004819100000000, -0.0012556900000000, -0.0006791500000000 ] - [ -0.0000674600000000, 0.0000543600000000, -0.0002058400000000 ] - [ 0.0002226400000000, -0.0000196700000000, 0.0005844500000000 ] - [ 0.0001792800000000, -0.0002262800000000, 0.0005014400000000 ] - [ 0.0001479600000000, 0.0000589100000000, -0.0000913700000000 ] - [ 0.0005471900000000, 0.0001688300000000, 0.0003695100000000 ] - [ 0.0011222700000000, 0.0007437700000000, 0.0028650200000000 ] - [ 0.0001693300000000, -0.0002061800000000, -0.0002898300000000 ] - [ 0.0001674200000000, 0.0001427300000000, 0.0003278100000000 ] - [ 0.0001151000000000, -0.0003965800000000, -0.0001409600000000 ] - [ 0.0001747900000000, 0.0001057900000000, -0.0001100800000000 ] - [ 0.0000840400000000, -0.0000012400000000, -0.0002010200000000 ] - [ 0.0002212800000000, 0.0002811000000000, 0.0001242800000000 ] - [ 0.0004261600000000, 0.0003053500000000, 0.0002067200000000 ] - [ 0.0004363800000000, 0.0000732300000000, 0.0001261500000000 ] - [ -0.0001423400000000, -0.0001083000000000, -0.0003985300000000 ] - [ -0.0001579500000000, -0.0000555900000000, -0.0001836600000000 ] - [ 0.0029682800000000, 0.0000722100000000, 0.0048786700000000 ] - [ 0.0000575300000000, 0.0001745700000000, 0.0000285400000000 ] - [ 0.0000748500000000, 0.0000232000000000, -0.0001630600000000 ] - [ 0.0005514000000000, -0.0003170100000000, 0.0005902900000000 ] - [ 0.0000558400000000, 0.0002375800000000, 0.0000038500000000 ] - [ 0.0000317100000000, 0.0000960400000000, 0.0003124800000000 ] - [ 0.0001026000000000, 0.0000170700000000, -0.0000579500000000 ] - [ -0.0000565600000000, -0.0002603500000000, -0.0004496200000000 ] - [ -0.0000732300000000, 0.0002135600000000, -0.0000901900000000 ] - [ -0.0003344900000000, -0.0002111900000000, -0.0003713000000000 ] - [ 0.0000451700000000, -0.0001597400000000, 0.0002214200000000 ] - [ -0.0003376400000000, 0.0002465800000000, 0.0004261500000000 ] - [ -0.0004410900000000, 0.0003200700000000, -0.0001230300000000 ] - [ 0.0000072000000000, 0.0001790200000000, -0.0001532000000000 ] - [ 0.0000968100000000, -0.0002115500000000, -0.0003779600000000 ] - [ -0.0001061700000000, -0.0005061900000000, -0.0003978000000000 ] - [ 0.0003721500000000, 0.0001435400000000, 0.0000616800000000 ] - [ -0.0001707100000000, 0.0003577600000000, 0.0003880200000000 ] - [ -0.0000463500000000, 0.0005655700000000, 0.0008668800000000 ] - [ -0.0021541500000000, -0.0009513500000000, 0.0011686100000000 ] - [ 0.0000768400000000, -0.0002494600000000, -0.0002207600000000 ] - [ -0.0000082600000000, 0.0000465700000000, -0.0000232300000000 ] - [ 0.0000520300000000, 0.0002178400000000, 0.0002704100000000 ] - [ -0.0005444800000000, -0.0002476700000000, -0.0000870100000000 ] - [ 0.0002636100000000, -0.0001092600000000, -0.0003259800000000 ] - [ -0.0001603200000000, 0.0001923500000000, -0.0000192300000000 ] - [ 0.0003192000000000, -0.0003146500000000, 0.0001380600000000 ] - [ -0.0015246000000000, 0.0007112900000000, 0.0005981200000000 ] - [ -0.0000233700000000, 0.0002740800000000, -0.0003750800000000 ]- atom: 1 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0005625600000000, -0.0013590600000000, 0.0129978900000000 ] - [ 0.0000607400000000, 0.0000575700000000, -0.0000030600000000 ] - [ 0.0002558100000000, -0.0000846700000000, -0.0000201300000000 ] - [ -0.0001765300000000, -0.0000911800000000, -0.0003828700000000 ] - [ 0.0000555000000000, 0.0000176700000000, -0.0000292700000000 ] - [ 0.0000058200000000, -0.0001774300000000, -0.0000507500000000 ] - [ -0.0000452100000000, -0.0003460900000000, 0.0002458100000000 ] - [ 0.0001016500000000, -0.0001115800000000, 0.0000900200000000 ] - [ -0.0004753600000000, 0.0001328500000000, -0.0002859900000000 ] - [ 0.0001968700000000, -0.0001025400000000, -0.0000223600000000 ] - [ 0.0001870800000000, 0.0000395200000000, -0.0001305700000000 ] - [ 0.0000252700000000, 0.0001135500000000, -0.0000780500000000 ] - [ -0.0008121300000000, -0.0001004900000000, 0.0003491200000000 ] - [ 0.0001793600000000, 0.0005954200000000, 0.0000394100000000 ] - [ -0.0000599100000000, 0.0000349900000000, 0.0002272200000000 ] - [ 0.0001513000000000, -0.0006030500000000, -0.0002047300000000 ] - [ -0.0001963500000000, 0.0001430700000000, -0.0001070500000000 ] - [ -0.0003142400000000, -0.0000592200000000, 0.0003211500000000 ] - [ 0.0001969400000000, -0.0000010800000000, -0.0001039800000000 ] - [ -0.0000278500000000, -0.0005822700000000, -0.0002381000000000 ] - [ -0.0003600200000000, -0.0006536100000000, -0.0001827100000000 ] - [ 0.0001002300000000, 0.0002440400000000, -0.0002776300000000 ] - [ 0.0000540900000000, -0.0000321300000000, -0.0006015500000000 ] - [ -0.0002467700000000, 0.0002281000000000, -0.0000595700000000 ] - [ 0.0001990600000000, -0.0001588500000000, -0.0002819600000000 ] - [ -0.0000921400000000, -0.0003126700000000, 0.0001509400000000 ] - [ 0.0002485400000000, -0.0001255700000000, 0.0000168600000000 ] - [ -0.0001703400000000, 0.0000306600000000, 0.0001854600000000 ] - [ 0.0002532300000000, 0.0000804200000000, -0.0000143200000000 ] - [ 0.0000033500000000, -0.0001267500000000, -0.0000600200000000 ] - [ 0.0002072100000000, 0.0002849400000000, -0.0002103300000000 ] - [ 0.0000828200000000, 0.0000239100000000, -0.0002311000000000 ] - [ 0.0002615000000000, 0.0001828100000000, 0.0000685700000000 ] - [ -0.0003304100000000, -0.0004615400000000, -0.0006764900000000 ] - [ -0.0007139900000000, 0.0027324300000000, 0.0007095400000000 ] - [ 0.0009057000000000, -0.0006843900000000, -0.0004068700000000 ] - [ 0.0024552900000000, 0.0008948400000000, -0.0016859000000000 ] - [ -0.0001186200000000, 0.0000831700000000, -0.0004134100000000 ] - [ -0.0001407700000000, -0.0002467100000000, -0.0003441400000000 ] - [ -0.0003454100000000, 0.0003146400000000, -0.0001291500000000 ] - [ 0.0000132900000000, -0.0001354700000000, 0.0000714000000000 ] - [ 0.0004309100000000, 0.0000756700000000, 0.0001593400000000 ] - [ -0.0000224300000000, 0.0013452000000000, 0.0011114400000000 ] - [ -0.0003805600000000, 0.0000280100000000, -0.0002393800000000 ] - [ 0.0002355000000000, 0.0003877700000000, -0.0000315300000000 ] - [ 0.0002698100000000, 0.0001421100000000, -0.0000608300000000 ] - [ -0.0001289500000000, -0.0000865600000000, 0.0000197400000000 ] - [ 0.0002647000000000, -0.0001057800000000, -0.0002271900000000 ] - [ -0.0012485800000000, -0.0007931000000000, -0.0033789200000000 ] - [ -0.0001464800000000, -0.0000574000000000, 0.0001429200000000 ] - [ 0.0001753000000000, 0.0001957200000000, 0.0002934600000000 ] - [ 0.0001770800000000, -0.0004643200000000, -0.0002732900000000 ] - [ 0.0003131800000000, 0.0000192300000000, -0.0002852100000000 ] - [ -0.0005688500000000, 0.0001265300000000, 0.0005989700000000 ] - [ -0.0001689800000000, -0.0000213900000000, 0.0002221100000000 ] - [ -0.0001425400000000, -0.0001441600000000, 0.0000963200000000 ] - [ 0.0004280300000000, -0.0003772600000000, 0.0000490700000000 ] - [ -0.0001992900000000, -0.0002296000000000, -0.0002237200000000 ] - [ -0.0001248600000000, 0.0002149800000000, -0.0001179100000000 ] - [ -0.0028922700000000, 0.0001644600000000, -0.0045138300000000 ] - [ -0.0000378700000000, 0.0000881200000000, -0.0001753500000000 ] - [ -0.0001289300000000, -0.0002834800000000, -0.0001849700000000 ] - [ -0.0004053700000000, -0.0002145500000000, 0.0000962900000000 ] - [ 0.0002271700000000, -0.0004003200000000, 0.0002976600000000 ] - [ 0.0000155900000000, -0.0000318300000000, 0.0000566700000000 ] - [ -0.0001233100000000, -0.0002817500000000, 0.0002045400000000 ] - [ -0.0000911300000000, -0.0002713800000000, -0.0002375900000000 ] - [ -0.0000765600000000, 0.0003184000000000, -0.0005979000000000 ] - [ 0.0000534800000000, 0.0000497300000000, 0.0000678500000000 ] - [ 0.0000062600000000, -0.0001003600000000, 0.0001265700000000 ] - [ -0.0001494000000000, -0.0003744800000000, -0.0000334100000000 ] - [ -0.0004235800000000, -0.0000182400000000, -0.0000527500000000 ] - [ -0.0000594700000000, 0.0000797600000000, -0.0001955400000000 ] - [ -0.0001414500000000, 0.0002742300000000, 0.0000072100000000 ] - [ -0.0001853800000000, -0.0003543800000000, 0.0008124800000000 ] - [ 0.0004916000000000, 0.0001582200000000, 0.0001154000000000 ] - [ 0.0002767200000000, 0.0002479200000000, -0.0005226500000000 ] - [ -0.0002463700000000, 0.0002763000000000, -0.0004552100000000 ] - [ 0.0020968900000000, 0.0003669500000000, -0.0010308400000000 ] - [ 0.0000296500000000, -0.0003350600000000, 0.0000839500000000 ] - [ 0.0000540600000000, -0.0001098200000000, 0.0003918200000000 ] - [ 0.0000963400000000, 0.0003126900000000, 0.0004167800000000 ] - [ -0.0003191600000000, -0.0000543900000000, -0.0000913700000000 ] - [ 0.0002209400000000, -0.0000171600000000, -0.0000721600000000 ] - [ 0.0000531500000000, 0.0003909300000000, 0.0001555200000000 ] - [ 0.0000254800000000, -0.0000243900000000, 0.0004818500000000 ] - [ 0.0011423800000000, -0.0003758900000000, -0.0012087900000000 ] - [ 0.0003155100000000, 0.0005858700000000, -0.0000389400000000 ]- atom: 2 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ -0.0000194900000000, 0.0002464200000000, 0.0002856900000000 ] - [ -0.0162178900000000, 0.0007826900000000, 0.0023594400000000 ] - [ 0.0007778700000000, 0.0000458500000000, -0.0000848300000000 ] - [ -0.0002468800000000, -0.0000155500000000, 0.0000845400000000 ] - [ 0.0000121500000000, -0.0000406200000000, 0.0001123100000000 ] - [ -0.0003081600000000, -0.0000968500000000, 0.0000056600000000 ] - [ -0.0002449700000000, -0.0000061900000000, 0.0001120100000000 ] - [ -0.0000492500000000, -0.0000498800000000, -0.0000280500000000 ] - [ -0.0001565000000000, 0.0001788300000000, 0.0001585800000000 ] - [ 0.0006488900000000, -0.0001638300000000, -0.0002375700000000 ] - [ 0.0001329800000000, -0.0001253900000000, 0.0000530500000000 ] - [ 0.0000689400000000, -0.0000355900000000, 0.0000814000000000 ] - [ -0.0001889400000000, -0.0000939600000000, -0.0000034200000000 ] - [ 0.0003321100000000, 0.0000638500000000, 0.0000661000000000 ] - [ -0.0000960500000000, -0.0000351300000000, 0.0001083300000000 ] - [ 0.0001470600000000, -0.0002750800000000, -0.0003443900000000 ] - [ 0.0000480800000000, 0.0006268900000000, -0.0001028600000000 ] - [ -0.0001370700000000, 0.0000864900000000, -0.0000472200000000 ] - [ -0.0001637100000000, 0.0000230800000000, -0.0005182300000000 ] - [ 0.0003573500000000, 0.0001390200000000, 0.0000330900000000 ] - [ -0.0001249000000000, 0.0001030800000000, 0.0000491000000000 ] - [ 0.0006378800000000, 0.0003220800000000, 0.0000053400000000 ] - [ -0.0001430000000000, -0.0001540900000000, 0.0000083800000000 ] - [ -0.0004650500000000, -0.0002001000000000, 0.0001223100000000 ] - [ 0.0004240500000000, -0.0001383100000000, -0.0001183500000000 ] - [ 0.0000837800000000, -0.0003259500000000, 0.0002484800000000 ] - [ -0.0000195200000000, -0.0001923300000000, -0.0002226900000000 ] - [ -0.0001286600000000, -0.0002049900000000, 0.0001757600000000 ] - [ 0.0000318000000000, 0.0004354200000000, -0.0000748200000000 ] - [ -0.0002171600000000, -0.0005938700000000, -0.0000874500000000 ] - [ 0.0003491800000000, 0.0002106700000000, -0.0000740300000000 ] - [ 0.0000289400000000, 0.0006081000000000, -0.0002740600000000 ] - [ -0.0000444700000000, 0.0001173500000000, -0.0000975000000000 ] - [ -0.0005649400000000, -0.0001904000000000, 0.0001347700000000 ] - [ -0.0004990100000000, -0.0000293500000000, 0.0000205600000000 ] - [ -0.0001178000000000, -0.0001622000000000, -0.0003918000000000 ] - [ 0.0004295300000000, 0.0000182000000000, 0.0002336400000000 ] - [ -0.0000505500000000, -0.0000727800000000, -0.0007544700000000 ] - [ 0.0006998600000000, -0.0001974800000000, -0.0001081700000000 ] - [ -0.0002191400000000, 0.0000672700000000, 0.0000623200000000 ] - [ -0.0002524000000000, 0.0000530200000000, 0.0001970100000000 ] - [ -0.0000016800000000, -0.0001700800000000, 0.0001281100000000 ] - [ 0.0004076700000000, 0.0000036100000000, 0.0002596900000000 ] - [ -0.0000520900000000, 0.0009909400000000, -0.0001225300000000 ] - [ 0.0007309600000000, 0.0001158900000000, 0.0004621400000000 ] - [ 0.0023649300000000, -0.0005016100000000, 0.0016847700000000 ] - [ 0.0011535000000000, 0.0005505700000000, 0.0007924300000000 ] - [ 0.0008526700000000, -0.0031108600000000, 0.0008410000000000 ] - [ -0.0000285900000000, 0.0000166400000000, -0.0002073000000000 ] - [ -0.0002671400000000, 0.0000688800000000, 0.0000777200000000 ] - [ -0.0004748000000000, -0.0000605300000000, 0.0006997800000000 ] - [ 0.0001254900000000, -0.0003952300000000, -0.0001903900000000 ] - [ 0.0004089300000000, 0.0000644500000000, -0.0001964400000000 ] - [ -0.0001022800000000, 0.0000180700000000, 0.0001962800000000 ] - [ 0.0001778900000000, 0.0001289700000000, 0.0002684800000000 ] - [ 0.0001636000000000, -0.0000211400000000, 0.0001427800000000 ] - [ 0.0003819500000000, -0.0001926100000000, 0.0002947700000000 ] - [ -0.0005739000000000, -0.0001335900000000, -0.0006494500000000 ] - [ -0.0001842600000000, 0.0000627800000000, -0.0002623800000000 ] - [ -0.0001946300000000, 0.0001251500000000, 0.0000122600000000 ] - [ -0.0000908700000000, 0.0001449800000000, -0.0000798900000000 ] - [ 0.0000762200000000, -0.0002120400000000, -0.0000712400000000 ] - [ 0.0001457100000000, -0.0002724900000000, 0.0003932500000000 ] - [ 0.0000508900000000, -0.0000423100000000, -0.0001022900000000 ] - [ 0.0000597100000000, 0.0000798700000000, 0.0001542600000000 ] - [ -0.0002942500000000, -0.0001103800000000, 0.0000364600000000 ] - [ 0.0047486000000000, -0.0003946400000000, -0.0049191100000000 ] - [ -0.0000945500000000, 0.0003480400000000, -0.0003227400000000 ] - [ -0.0000887700000000, 0.0002977300000000, -0.0000119700000000 ] - [ 0.0002466100000000, -0.0000571200000000, 0.0001808100000000 ] - [ -0.0002658400000000, 0.0000497600000000, 0.0001456200000000 ] - [ -0.0003815600000000, 0.0001196500000000, -0.0000380600000000 ] - [ 0.0005478400000000, 0.0003697800000000, 0.0020962200000000 ] - [ -0.0000346600000000, 0.0002754700000000, -0.0002318400000000 ] - [ -0.0002708800000000, -0.0004131000000000, 0.0001895700000000 ] - [ 0.0002217500000000, -0.0001582200000000, -0.0001084100000000 ] - [ -0.0000640100000000, 0.0002699300000000, -0.0000670200000000 ] - [ -0.0002359400000000, 0.0004678800000000, 0.0000955100000000 ] - [ -0.0000730300000000, -0.0002876800000000, 0.0000897500000000 ] - [ -0.0005746200000000, -0.0003599700000000, -0.0001144600000000 ] - [ 0.0062637900000000, 0.0006841900000000, -0.0023288700000000 ] - [ 0.0004888500000000, 0.0003588400000000, 0.0002924500000000 ] - [ -0.0004270500000000, -0.0002397400000000, -0.0001830300000000 ] - [ 0.0008523000000000, 0.0000245200000000, -0.0002126200000000 ] - [ -0.0000956800000000, 0.0000748300000000, 0.0000068300000000 ] - [ 0.0000955700000000, -0.0001610900000000, 0.0004619300000000 ] - [ -0.0002782500000000, 0.0000830700000000, -0.0003926800000000 ] - [ 0.0000489700000000, 0.0007715700000000, -0.0003381200000000 ]- atom: 2 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0001468100000000, 0.0002468200000000, 0.0002763100000000 ] - [ 0.0164001100000000, -0.0006791000000000, -0.0022930700000000 ] - [ -0.0003226600000000, -0.0002094700000000, 0.0000650600000000 ] - [ -0.0001721200000000, 0.0000108400000000, 0.0001423900000000 ] - [ -0.0000671500000000, 0.0000909300000000, 0.0001328500000000 ] - [ -0.0001635100000000, -0.0001903400000000, -0.0000199700000000 ] - [ -0.0001748100000000, 0.0000092900000000, 0.0001145700000000 ] - [ 0.0001782700000000, -0.0000820300000000, 0.0000630300000000 ] - [ -0.0002607800000000, 0.0002573600000000, 0.0001158600000000 ] - [ -0.0002145600000000, -0.0000452400000000, 0.0002574000000000 ] - [ 0.0002881400000000, 0.0001301000000000, -0.0002806700000000 ] - [ -0.0000136200000000, 0.0000880600000000, -0.0003283700000000 ] - [ -0.0002466100000000, -0.0001161200000000, -0.0000162600000000 ] - [ 0.0001215600000000, 0.0000987500000000, -0.0000842100000000 ] - [ 0.0000420300000000, -0.0000165600000000, 0.0001371200000000 ] - [ 0.0000203900000000, -0.0002181000000000, -0.0002180300000000 ] - [ -0.0004850300000000, -0.0004203500000000, 0.0000840100000000 ] - [ 0.0000082200000000, 0.0000456600000000, 0.0000113100000000 ] - [ 0.0005842400000000, -0.0000259000000000, 0.0002922000000000 ] - [ 0.0000788900000000, 0.0000717600000000, -0.0000137300000000 ] - [ -0.0003280700000000, 0.0000613700000000, -0.0000316800000000 ] - [ -0.0004755400000000, 0.0001714200000000, -0.0005646000000000 ] - [ -0.0003102600000000, -0.0000084500000000, 0.0000093800000000 ] - [ -0.0000088300000000, 0.0004885400000000, -0.0001368700000000 ] - [ -0.0000060500000000, -0.0002972900000000, -0.0001575600000000 ] - [ -0.0002484300000000, -0.0001673800000000, 0.0003077600000000 ] - [ 0.0004928700000000, -0.0000948900000000, 0.0002359300000000 ] - [ -0.0002906000000000, -0.0002315200000000, 0.0001029400000000 ] - [ 0.0004392900000000, -0.0001490400000000, 0.0000886100000000 ] - [ 0.0000917800000000, 0.0004599200000000, 0.0000601100000000 ] - [ 0.0000698200000000, 0.0002257300000000, -0.0002059300000000 ] - [ 0.0000273000000000, -0.0006549200000000, 0.0000261100000000 ] - [ 0.0000627200000000, -0.0000947900000000, 0.0000310200000000 ] - [ -0.0002485000000000, 0.0001341500000000, -0.0002755400000000 ] - [ -0.0003133700000000, 0.0000899800000000, -0.0001660800000000 ] - [ -0.0003295200000000, 0.0000774700000000, -0.0000521400000000 ] - [ 0.0000288300000000, -0.0003951700000000, 0.0003073900000000 ] - [ -0.0004112000000000, 0.0004508400000000, 0.0002150200000000 ] - [ -0.0011578500000000, -0.0001844000000000, -0.0004313400000000 ] - [ 0.0001969900000000, -0.0000956000000000, 0.0000059500000000 ] - [ 0.0002377100000000, -0.0000358400000000, -0.0001382100000000 ] - [ 0.0008143800000000, 0.0001109000000000, 0.0000142400000000 ] - [ 0.0000391800000000, 0.0000834300000000, 0.0001828400000000 ] - [ -0.0003924100000000, -0.0009072200000000, -0.0003191000000000 ] - [ -0.0002710600000000, 0.0002641400000000, 0.0000862900000000 ] - [ -0.0018998900000000, 0.0004124400000000, -0.0012444600000000 ] - [ -0.0011360300000000, -0.0005679600000000, -0.0008429000000000 ] - [ -0.0000393600000000, 0.0031888100000000, -0.0007032300000000 ] - [ -0.0000191000000000, -0.0000771500000000, -0.0001624900000000 ] - [ 0.0002921600000000, -0.0003329200000000, -0.0002267900000000 ] - [ 0.0008212600000000, 0.0004018300000000, -0.0000813200000000 ] - [ 0.0001679600000000, -0.0004659700000000, -0.0002214700000000 ] - [ 0.0000751200000000, 0.0000618600000000, -0.0001984100000000 ] - [ -0.0003777700000000, 0.0001088700000000, 0.0001997700000000 ] - [ -0.0001295800000000, 0.0001315400000000, 0.0000822300000000 ] - [ 0.0001168700000000, 0.0001845800000000, 0.0001620500000000 ] - [ 0.0004824100000000, -0.0001087300000000, -0.0001207800000000 ] - [ 0.0002276800000000, -0.0002074400000000, 0.0000266500000000 ] - [ -0.0000978000000000, 0.0000996400000000, -0.0000426500000000 ] - [ 0.0001685300000000, 0.0001394500000000, 0.0001371200000000 ] - [ 0.0001122200000000, 0.0001199400000000, -0.0000687000000000 ] - [ -0.0001270500000000, -0.0000470800000000, -0.0002776900000000 ] - [ 0.0000036600000000, -0.0002590300000000, 0.0002930100000000 ] - [ 0.0002319400000000, -0.0001201700000000, 0.0004032900000000 ] - [ -0.0000114800000000, -0.0000186100000000, 0.0002143900000000 ] - [ 0.0002719800000000, -0.0001545700000000, 0.0001109600000000 ] - [ -0.0047147700000000, -0.0001502000000000, 0.0040760600000000 ] - [ -0.0000532600000000, 0.0001834100000000, -0.0003644700000000 ] - [ -0.0001895700000000, -0.0004594400000000, -0.0002916200000000 ] - [ -0.0001946100000000, -0.0002004900000000, 0.0001678700000000 ] - [ -0.0002170300000000, -0.0001757400000000, 0.0002473500000000 ] - [ -0.0004823100000000, 0.0001789400000000, -0.0001382000000000 ] - [ -0.0006053400000000, -0.0001054700000000, -0.0024242500000000 ] - [ -0.0000123300000000, -0.0002164600000000, -0.0001370400000000 ] - [ -0.0000234100000000, -0.0004477100000000, 0.0002209200000000 ] - [ 0.0006406100000000, 0.0004559900000000, 0.0002839000000000 ] - [ 0.0001681000000000, 0.0003140200000000, -0.0000677000000000 ] - [ -0.0000573900000000, 0.0003939400000000, 0.0003142900000000 ] - [ -0.0000315100000000, -0.0002952800000000, 0.0000439600000000 ] - [ 0.0006817500000000, -0.0002219000000000, -0.0000201100000000 ] - [ -0.0064819400000000, -0.0007286900000000, 0.0028182500000000 ] - [ -0.0003412800000000, 0.0001864300000000, 0.0003928500000000 ] - [ -0.0004355500000000, -0.0000615900000000, 0.0000050500000000 ] - [ -0.0003675200000000, -0.0001626600000000, -0.0001832200000000 ] - [ -0.0000078400000000, 0.0005098500000000, 0.0001292600000000 ] - [ 0.0002517100000000, -0.0001797300000000, 0.0001572500000000 ] - [ -0.0000672100000000, 0.0002576800000000, -0.0002270900000000 ] - [ 0.0002435800000000, 0.0000880400000000, -0.0000742200000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000767100000000, 0.0002518300000000, 0.0002909000000000 ] - [ 0.0008426000000000, -0.0102217200000000, -0.0012807500000000 ] - [ 0.0001477300000000, -0.0000711100000000, 0.0000665400000000 ] - [ -0.0002213700000000, 0.0000576800000000, 0.0000951200000000 ] - [ 0.0000080500000000, 0.0010974900000000, 0.0000301600000000 ] - [ -0.0002410800000000, -0.0000625600000000, -0.0000309700000000 ] - [ -0.0002483200000000, -0.0000058900000000, 0.0001396100000000 ] - [ 0.0000470200000000, -0.0000676900000000, 0.0000202100000000 ] - [ -0.0002079800000000, 0.0004266800000000, 0.0001064900000000 ] - [ 0.0002281600000000, -0.0000517000000000, -0.0000012100000000 ] - [ 0.0000118000000000, 0.0000084700000000, -0.0007052600000000 ] - [ 0.0000517600000000, 0.0000697500000000, -0.0000095100000000 ] - [ -0.0001954600000000, -0.0000885800000000, 0.0000350600000000 ] - [ 0.0002190400000000, 0.0000596600000000, -0.0000920300000000 ] - [ -0.0000662800000000, -0.0000298400000000, 0.0001595500000000 ] - [ 0.0000811400000000, -0.0002678700000000, -0.0002214500000000 ] - [ 0.0003653900000000, 0.0000608300000000, -0.0003457400000000 ] - [ -0.0000850100000000, 0.0000589800000000, -0.0000242700000000 ] - [ 0.0001965200000000, -0.0000560100000000, -0.0000073300000000 ] - [ 0.0001618400000000, 0.0001070000000000, 0.0000939000000000 ] - [ -0.0001629100000000, 0.0001100800000000, 0.0000998700000000 ] - [ 0.0001226100000000, 0.0000329900000000, -0.0004010000000000 ] - [ -0.0002368300000000, -0.0000396800000000, 0.0000113000000000 ] - [ -0.0005159600000000, 0.0004062100000000, -0.0007733500000000 ] - [ 0.0001400900000000, -0.0002087800000000, -0.0001476400000000 ] - [ -0.0000210700000000, -0.0002540800000000, 0.0002367400000000 ] - [ 0.0001547400000000, -0.0001996200000000, 0.0000500500000000 ] - [ -0.0001583400000000, -0.0002084200000000, 0.0001838400000000 ] - [ 0.0004977900000000, 0.0004794400000000, 0.0006432100000000 ] - [ -0.0005863200000000, 0.0000207000000000, 0.0002716000000000 ] - [ 0.0002313800000000, 0.0002121200000000, -0.0001030800000000 ] - [ 0.0006077500000000, 0.0001623600000000, -0.0004408200000000 ] - [ 0.0001539200000000, -0.0000646200000000, -0.0000165400000000 ] - [ -0.0004237800000000, -0.0000774300000000, -0.0000957600000000 ] - [ -0.0003399400000000, 0.0001209100000000, -0.0000469900000000 ] - [ -0.0001975900000000, 0.0001760800000000, -0.0001749700000000 ] - [ 0.0002560500000000, -0.0001790500000000, 0.0002567300000000 ] - [ -0.0001242300000000, 0.0006816300000000, 0.0000382500000000 ] - [ 0.0000955600000000, 0.0000375800000000, -0.0000456500000000 ] - [ 0.0000778300000000, 0.0001214400000000, 0.0000554500000000 ] - [ -0.0001360000000000, 0.0006367900000000, 0.0004955200000000 ] - [ 0.0002720700000000, -0.0001729100000000, 0.0001670200000000 ] - [ 0.0001994400000000, 0.0001497500000000, 0.0002188400000000 ] - [ 0.0016255600000000, -0.0003512900000000, 0.0021892300000000 ] - [ 0.0001634800000000, 0.0000542900000000, 0.0000313000000000 ] - [ -0.0000788100000000, -0.0001837200000000, 0.0002927800000000 ] - [ 0.0004489400000000, -0.0001457300000000, 0.0001238000000000 ] - [ -0.0029663500000000, -0.0001893700000000, 0.0009804600000000 ] - [ -0.0000241300000000, -0.0000636500000000, -0.0002042300000000 ] - [ 0.0002425700000000, -0.0002791500000000, -0.0003338100000000 ] - [ 0.0000347300000000, -0.0000502200000000, 0.0000898200000000 ] - [ 0.0001264300000000, -0.0003733000000000, -0.0003943100000000 ] - [ 0.0002950200000000, 0.0001042700000000, -0.0002311000000000 ] - [ -0.0001634300000000, -0.0000009000000000, 0.0001675300000000 ] - [ -0.0000069600000000, -0.0001260400000000, 0.0001639300000000 ] - [ 0.0000963800000000, 0.0001344700000000, 0.0001993800000000 ] - [ 0.0003744900000000, -0.0001183500000000, 0.0000902400000000 ] - [ -0.0000781500000000, -0.0000112200000000, -0.0001925200000000 ] - [ -0.0002361300000000, 0.0000038600000000, -0.0005033700000000 ] - [ 0.0000010200000000, 0.0000657500000000, 0.0000873700000000 ] - [ -0.0000574900000000, 0.0002073700000000, -0.0001432200000000 ] - [ -0.0001377700000000, -0.0001044300000000, -0.0001423100000000 ] - [ 0.0000604700000000, -0.0003220400000000, 0.0003172500000000 ] - [ -0.0000186300000000, -0.0000073400000000, 0.0001605700000000 ] - [ 0.0000501600000000, 0.0000810400000000, 0.0001839900000000 ] - [ 0.0000898500000000, -0.0000905100000000, 0.0001284600000000 ] - [ -0.0003466800000000, -0.0000888200000000, -0.0001733000000000 ] - [ -0.0000522200000000, 0.0001980400000000, -0.0003618300000000 ] - [ -0.0000638100000000, -0.0003269500000000, -0.0003139400000000 ] - [ 0.0001442300000000, -0.0002628800000000, -0.0000538600000000 ] - [ -0.0002794800000000, -0.0000080900000000, 0.0001368600000000 ] - [ -0.0005001700000000, 0.0000337100000000, 0.0000756300000000 ] - [ 0.0004306300000000, 0.0004366600000000, 0.0010835000000000 ] - [ -0.0000946500000000, 0.0000178600000000, -0.0001733500000000 ] - [ -0.0001401300000000, -0.0005176700000000, 0.0002313400000000 ] - [ 0.0002482500000000, 0.0002425800000000, -0.0000393200000000 ] - [ 0.0000340400000000, 0.0002798300000000, -0.0000754000000000 ] - [ -0.0001783400000000, 0.0003994200000000, 0.0001860100000000 ] - [ -0.0000722300000000, -0.0003753700000000, 0.0000278600000000 ] - [ 0.0000521000000000, -0.0002551600000000, -0.0000274100000000 ] - [ 0.0000614900000000, 0.0004179600000000, 0.0000718000000000 ] - [ -0.0004891900000000, 0.0042122300000000, -0.0005494100000000 ] - [ -0.0006439800000000, -0.0005970200000000, -0.0003759000000000 ] - [ 0.0009441700000000, 0.0041291000000000, -0.0010206500000000 ] - [ -0.0004781800000000, 0.0003050800000000, -0.0001449400000000 ] - [ 0.0001727900000000, -0.0003669400000000, 0.0001294600000000 ] - [ -0.0001789100000000, 0.0001373100000000, -0.0003015600000000 ] - [ 0.0006638900000000, 0.0005364300000000, -0.0001944900000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000856500000000, 0.0002403600000000, 0.0002715500000000 ] - [ -0.0005958300000000, 0.0103445000000000, 0.0013962700000000 ] - [ 0.0003058900000000, -0.0000925700000000, -0.0000853800000000 ] - [ -0.0001978000000000, -0.0000632300000000, 0.0001315800000000 ] - [ -0.0000623400000000, -0.0010475100000000, 0.0002146700000000 ] - [ -0.0002310800000000, -0.0002247300000000, 0.0000172100000000 ] - [ -0.0001706700000000, 0.0000116700000000, 0.0000860900000000 ] - [ 0.0000779400000000, -0.0000639600000000, 0.0000074700000000 ] - [ -0.0002106000000000, 0.0000089300000000, 0.0001695200000000 ] - [ 0.0002071600000000, -0.0001563800000000, 0.0000197800000000 ] - [ 0.0004047200000000, -0.0000017400000000, 0.0004754700000000 ] - [ 0.0000017900000000, -0.0000169200000000, -0.0002370900000000 ] - [ -0.0002412100000000, -0.0001223800000000, -0.0000539200000000 ] - [ 0.0002341000000000, 0.0001033000000000, 0.0000739200000000 ] - [ 0.0000117000000000, -0.0000215000000000, 0.0000855800000000 ] - [ 0.0000788300000000, -0.0002240600000000, -0.0003408300000000 ] - [ -0.0008074100000000, 0.0001474200000000, 0.0003286800000000 ] - [ -0.0000422800000000, 0.0000723900000000, -0.0000064300000000 ] - [ 0.0002218800000000, 0.0000517800000000, -0.0002203900000000 ] - [ 0.0002737800000000, 0.0001037400000000, -0.0000759300000000 ] - [ -0.0002918300000000, 0.0000544500000000, -0.0000829200000000 ] - [ 0.0000418100000000, 0.0004611100000000, -0.0001548700000000 ] - [ -0.0002181800000000, -0.0001227700000000, 0.0000057800000000 ] - [ 0.0000467000000000, -0.0001198500000000, 0.0007643900000000 ] - [ 0.0002757700000000, -0.0002267400000000, -0.0001303100000000 ] - [ -0.0001450000000000, -0.0002388100000000, 0.0003198600000000 ] - [ 0.0003161900000000, -0.0000881700000000, -0.0000342000000000 ] - [ -0.0002615600000000, -0.0002272300000000, 0.0000965000000000 ] - [ -0.0000250800000000, -0.0001884000000000, -0.0006223400000000 ] - [ 0.0004643100000000, -0.0001543100000000, -0.0003016700000000 ] - [ 0.0001866100000000, 0.0002242900000000, -0.0001780400000000 ] - [ -0.0005497800000000, -0.0002107400000000, 0.0001928500000000 ] - [ -0.0001306100000000, 0.0000919100000000, -0.0000534600000000 ] - [ -0.0003879300000000, 0.0000161600000000, -0.0000495800000000 ] - [ -0.0004729300000000, -0.0000609300000000, -0.0000961900000000 ] - [ -0.0002457200000000, -0.0002586500000000, -0.0002681500000000 ] - [ 0.0002034800000000, -0.0001893800000000, 0.0002929500000000 ] - [ -0.0003336000000000, -0.0003154500000000, -0.0005903200000000 ] - [ -0.0005521600000000, -0.0004113200000000, -0.0005004200000000 ] - [ -0.0001049400000000, -0.0001555500000000, 0.0000173200000000 ] - [ 0.0001161800000000, -0.0006112700000000, -0.0004250400000000 ] - [ 0.0005397700000000, 0.0001103300000000, -0.0000238000000000 ] - [ 0.0002465200000000, -0.0000619400000000, 0.0002164900000000 ] - [ -0.0020839300000000, 0.0004374200000000, -0.0026418900000000 ] - [ 0.0002961600000000, 0.0003237400000000, 0.0005182800000000 ] - [ 0.0005226500000000, 0.0001025700000000, 0.0001426000000000 ] - [ -0.0004370900000000, 0.0001150600000000, -0.0001888200000000 ] - [ 0.0037578000000000, 0.0002433400000000, -0.0008330200000000 ] - [ -0.0000232700000000, 0.0000001700000000, -0.0001647000000000 ] - [ -0.0002212900000000, 0.0000170600000000, 0.0001862700000000 ] - [ 0.0003069200000000, 0.0003916200000000, 0.0005355600000000 ] - [ 0.0001637900000000, -0.0004863600000000, -0.0000204500000000 ] - [ 0.0001927300000000, 0.0000219600000000, -0.0001651500000000 ] - [ -0.0003256400000000, 0.0001275200000000, 0.0002314800000000 ] - [ 0.0000599100000000, 0.0003867700000000, 0.0001836300000000 ] - [ 0.0001848400000000, 0.0000268800000000, 0.0001030100000000 ] - [ 0.0004897900000000, -0.0001866600000000, 0.0000839700000000 ] - [ -0.0002644300000000, -0.0003263900000000, -0.0004302200000000 ] - [ -0.0000461000000000, 0.0001557800000000, 0.0002044400000000 ] - [ -0.0000230700000000, 0.0001979800000000, 0.0000585200000000 ] - [ 0.0000739500000000, 0.0000560100000000, -0.0000023800000000 ] - [ 0.0000807800000000, -0.0001549600000000, -0.0002049800000000 ] - [ 0.0000862900000000, -0.0002091200000000, 0.0003701200000000 ] - [ 0.0003031500000000, -0.0001551100000000, 0.0001401600000000 ] - [ -0.0000041600000000, -0.0000148700000000, 0.0001853400000000 ] - [ -0.0001099400000000, -0.0001730100000000, 0.0000166800000000 ] - [ 0.0001759500000000, -0.0004402700000000, -0.0004969300000000 ] - [ -0.0000972000000000, 0.0003331400000000, -0.0003278800000000 ] - [ -0.0002185900000000, 0.0001684200000000, 0.0000118100000000 ] - [ -0.0000929300000000, 0.0000026900000000, 0.0004019600000000 ] - [ -0.0002077700000000, -0.0001180600000000, 0.0002577600000000 ] - [ -0.0003647200000000, 0.0002706100000000, -0.0002533800000000 ] - [ -0.0004903200000000, -0.0001862500000000, -0.0014570700000000 ] - [ 0.0000489400000000, 0.0000474800000000, -0.0001960000000000 ] - [ -0.0001510600000000, -0.0003418500000000, 0.0001849900000000 ] - [ 0.0006134500000000, 0.0000615800000000, 0.0002155900000000 ] - [ 0.0000754900000000, 0.0003048400000000, -0.0000601300000000 ] - [ -0.0001145900000000, 0.0004606700000000, 0.0002266600000000 ] - [ -0.0000362400000000, -0.0002087100000000, 0.0001064600000000 ] - [ 0.0000575600000000, -0.0003291900000000, -0.0001085600000000 ] - [ 0.0000050600000000, -0.0004845400000000, 0.0002896200000000 ] - [ 0.0006193800000000, -0.0039012000000000, 0.0012246000000000 ] - [ -0.0002204200000000, 0.0002938500000000, 0.0001975700000000 ] - [ -0.0004783200000000, -0.0040317500000000, 0.0005885800000000 ] - [ 0.0003702900000000, 0.0002782400000000, 0.0002838200000000 ] - [ 0.0001706300000000, 0.0000296900000000, 0.0004917900000000 ] - [ -0.0001645300000000, 0.0002016800000000, -0.0003196000000000 ] - [ -0.0003708100000000, 0.0003257100000000, -0.0002227500000000 ]- atom: 2 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ -0.0000708900000000, 0.0002446500000000, 0.0002985600000000 ] - [ 0.0030638700000000, -0.0013312400000000, -0.0156709800000000 ] - [ 0.0001792600000000, -0.0000945200000000, 0.0000839700000000 ] - [ -0.0002318800000000, 0.0000492300000000, 0.0001016700000000 ] - [ -0.0000621400000000, 0.0000258900000000, 0.0001822100000000 ] - [ -0.0002667500000000, -0.0001580900000000, -0.0000143100000000 ] - [ -0.0002221300000000, 0.0000311800000000, 0.0001670700000000 ] - [ 0.0000264800000000, -0.0000715300000000, 0.0001007800000000 ] - [ -0.0001796100000000, 0.0002829400000000, 0.0001232300000000 ] - [ 0.0000665000000000, -0.0000714600000000, 0.0001180400000000 ] - [ 0.0003380400000000, -0.0002929200000000, -0.0000115800000000 ] - [ 0.0001105300000000, -0.0000382900000000, 0.0003048100000000 ] - [ -0.0002120000000000, -0.0000860000000000, 0.0000278800000000 ] - [ 0.0002369500000000, 0.0000152600000000, -0.0000209000000000 ] - [ -0.0000636100000000, -0.0000178100000000, 0.0002152500000000 ] - [ 0.0000849300000000, -0.0002806400000000, -0.0002332000000000 ] - [ -0.0003081700000000, -0.0001516700000000, -0.0001286700000000 ] - [ -0.0000912000000000, 0.0000710800000000, -0.0000255000000000 ] - [ -0.0001141900000000, 0.0000101300000000, 0.0003270300000000 ] - [ 0.0002713700000000, 0.0001467300000000, 0.0000524600000000 ] - [ -0.0001847300000000, 0.0001277600000000, 0.0000285700000000 ] - [ 0.0002380600000000, 0.0001578100000000, -0.0006189200000000 ] - [ -0.0002132400000000, -0.0000894200000000, 0.0000111700000000 ] - [ -0.0000818400000000, -0.0006227400000000, 0.0003031800000000 ] - [ 0.0002513400000000, -0.0002517700000000, -0.0002050700000000 ] - [ -0.0000398900000000, -0.0002334300000000, 0.0002065200000000 ] - [ 0.0001206600000000, -0.0001384300000000, 0.0002176600000000 ] - [ -0.0002130700000000, -0.0001897000000000, 0.0002246000000000 ] - [ 0.0001772500000000, 0.0007303100000000, -0.0000319000000000 ] - [ -0.0001291200000000, 0.0002511700000000, 0.0000076300000000 ] - [ 0.0002446900000000, 0.0002051700000000, 0.0000126100000000 ] - [ -0.0001245000000000, -0.0003740300000000, -0.0001949900000000 ] - [ -0.0002220700000000, -0.0000701700000000, 0.0000636400000000 ] - [ -0.0004263400000000, 0.0000866400000000, -0.0001960600000000 ] - [ -0.0002591300000000, 0.0000549800000000, -0.0000101800000000 ] - [ -0.0002179300000000, 0.0001180300000000, -0.0000806200000000 ] - [ 0.0003243200000000, -0.0003424500000000, 0.0003180200000000 ] - [ -0.0002946500000000, 0.0002894000000000, -0.0002400300000000 ] - [ 0.0010616800000000, -0.0000312000000000, 0.0007756500000000 ] - [ 0.0001240400000000, -0.0001934300000000, -0.0001210300000000 ] - [ -0.0001820700000000, 0.0001535000000000, 0.0001631600000000 ] - [ -0.0000213600000000, -0.0003626300000000, 0.0004222500000000 ] - [ 0.0004320700000000, -0.0001248500000000, 0.0004705500000000 ] - [ 0.0001078700000000, 0.0014381700000000, -0.0005602000000000 ] - [ 0.0001852900000000, -0.0001767200000000, 0.0002018800000000 ] - [ -0.0004510600000000, -0.0000370100000000, -0.0018675500000000 ] - [ 0.0028445600000000, 0.0002061800000000, -0.0010529900000000 ] - [ 0.0009399000000000, 0.0013366400000000, -0.0007337200000000 ] - [ -0.0000428700000000, -0.0000192100000000, -0.0002125700000000 ] - [ 0.0000193000000000, -0.0002097600000000, -0.0000292500000000 ] - [ -0.0001319300000000, -0.0002107000000000, 0.0009869100000000 ] - [ 0.0000916700000000, -0.0003667200000000, -0.0006341500000000 ] - [ 0.0003842700000000, 0.0000710100000000, -0.0003467400000000 ] - [ -0.0002389400000000, 0.0000316800000000, 0.0002731500000000 ] - [ 0.0000485600000000, 0.0001533900000000, 0.0003089400000000 ] - [ 0.0001031200000000, 0.0001232300000000, 0.0000908300000000 ] - [ 0.0003512700000000, -0.0000570200000000, -0.0000618500000000 ] - [ -0.0001793300000000, -0.0000174400000000, -0.0000563100000000 ] - [ -0.0001745500000000, -0.0000066100000000, -0.0003137700000000 ] - [ 0.0000064000000000, 0.0001122800000000, 0.0000821700000000 ] - [ -0.0001542800000000, 0.0001713600000000, -0.0002810000000000 ] - [ 0.0001786700000000, -0.0000991300000000, -0.0003206800000000 ] - [ 0.0000892500000000, -0.0002663200000000, 0.0002762300000000 ] - [ -0.0005520700000000, 0.0001845300000000, 0.0001674800000000 ] - [ 0.0000399500000000, 0.0001433900000000, 0.0000951700000000 ] - [ -0.0000560800000000, -0.0000681800000000, 0.0000996300000000 ] - [ -0.0039286700000000, -0.0001634400000000, 0.0038171900000000 ] - [ -0.0001448900000000, 0.0005388500000000, -0.0003524200000000 ] - [ -0.0001923500000000, -0.0002062000000000, -0.0001589400000000 ] - [ 0.0000975600000000, -0.0002533100000000, 0.0000939200000000 ] - [ -0.0003317900000000, 0.0000779500000000, 0.0000716500000000 ] - [ -0.0003892500000000, 0.0003510700000000, -0.0001323600000000 ] - [ 0.0018146100000000, 0.0008396400000000, 0.0092192500000000 ] - [ -0.0000124200000000, -0.0001010800000000, -0.0001342200000000 ] - [ -0.0002084800000000, -0.0005121700000000, 0.0002611200000000 ] - [ 0.0000807400000000, 0.0000183300000000, 0.0003709500000000 ] - [ 0.0000256100000000, 0.0003485400000000, -0.0001815000000000 ] - [ -0.0002026200000000, 0.0004119100000000, 0.0001566000000000 ] - [ -0.0000075900000000, -0.0003477400000000, -0.0000325300000000 ] - [ 0.0004141900000000, -0.0001183500000000, 0.0004584200000000 ] - [ -0.0027669700000000, -0.0004093100000000, 0.0016986300000000 ] - [ 0.0001123800000000, 0.0002667400000000, 0.0008163100000000 ] - [ -0.0004489300000000, -0.0003619800000000, -0.0001353200000000 ] - [ -0.0000172500000000, -0.0006655500000000, 0.0004968100000000 ] - [ -0.0001577500000000, 0.0001778300000000, 0.0001927500000000 ] - [ 0.0001398400000000, -0.0002409600000000, 0.0003049000000000 ] - [ -0.0002829100000000, 0.0001677700000000, -0.0004900200000000 ] - [ 0.0000784600000000, 0.0003110000000000, 0.0000229800000000 ]- atom: 2 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0000925300000000, 0.0002479300000000, 0.0002617300000000 ] - [ -0.0031501500000000, 0.0014276400000000, 0.0155963400000000 ] - [ 0.0002764600000000, -0.0000692200000000, -0.0001037700000000 ] - [ -0.0001898800000000, -0.0000520100000000, 0.0001253800000000 ] - [ 0.0000058900000000, 0.0000245200000000, 0.0000597600000000 ] - [ -0.0002029000000000, -0.0001299700000000, -0.0000044300000000 ] - [ -0.0001990200000000, -0.0000286700000000, 0.0000595300000000 ] - [ 0.0000974700000000, -0.0000595000000000, -0.0000806600000000 ] - [ -0.0002377900000000, 0.0001526400000000, 0.0001499500000000 ] - [ 0.0003694800000000, -0.0001354500000000, -0.0001014100000000 ] - [ 0.0000830300000000, 0.0002986500000000, -0.0002191300000000 ] - [ -0.0000545700000000, 0.0000919200000000, -0.0005526200000000 ] - [ -0.0002267300000000, -0.0001223600000000, -0.0000464000000000 ] - [ 0.0002170200000000, 0.0001481200000000, 0.0000024800000000 ] - [ 0.0000073200000000, -0.0000346700000000, 0.0000268600000000 ] - [ 0.0000787800000000, -0.0002117300000000, -0.0003303800000000 ] - [ -0.0001296700000000, 0.0003597100000000, 0.0001083800000000 ] - [ -0.0000330100000000, 0.0000595400000000, -0.0000002200000000 ] - [ 0.0005339200000000, -0.0000116300000000, -0.0005541100000000 ] - [ 0.0001680100000000, 0.0000616400000000, -0.0000370600000000 ] - [ -0.0002692400000000, 0.0000359700000000, -0.0000130200000000 ] - [ -0.0000754300000000, 0.0003354300000000, 0.0000622300000000 ] - [ -0.0002405300000000, -0.0000736000000000, 0.0000039300000000 ] - [ -0.0003856900000000, 0.0009059200000000, -0.0003191100000000 ] - [ 0.0001677200000000, -0.0001843500000000, -0.0000706800000000 ] - [ -0.0001232300000000, -0.0002596600000000, 0.0003479100000000 ] - [ 0.0003512200000000, -0.0001506700000000, -0.0002028800000000 ] - [ -0.0002057800000000, -0.0002467800000000, 0.0000533500000000 ] - [ 0.0002927900000000, -0.0004395800000000, 0.0000475500000000 ] - [ 0.0000058400000000, -0.0003840500000000, -0.0000315400000000 ] - [ 0.0001736200000000, 0.0002312700000000, -0.0002951000000000 ] - [ 0.0001803700000000, 0.0003235300000000, -0.0000501000000000 ] - [ 0.0002423600000000, 0.0000939600000000, -0.0001355000000000 ] - [ -0.0003869200000000, -0.0001463500000000, 0.0000511800000000 ] - [ -0.0005533700000000, 0.0000058300000000, -0.0001372800000000 ] - [ -0.0002303700000000, -0.0001988500000000, -0.0003627400000000 ] - [ 0.0001415800000000, -0.0000277100000000, 0.0002283200000000 ] - [ -0.0001694500000000, 0.0000784700000000, -0.0003131800000000 ] - [ -0.0015322800000000, -0.0003413000000000, -0.0013377800000000 ] - [ -0.0001426700000000, 0.0001658600000000, 0.0001911500000000 ] - [ 0.0001655300000000, -0.0001282200000000, -0.0000916800000000 ] - [ 0.0008351800000000, 0.0003028900000000, -0.0002789800000000 ] - [ 0.0000164100000000, 0.0002080800000000, -0.0000341600000000 ] - [ -0.0005545700000000, -0.0013683500000000, 0.0001290500000000 ] - [ 0.0002786100000000, 0.0005468800000000, 0.0003457100000000 ] - [ 0.0008933100000000, -0.0000449100000000, 0.0023031600000000 ] - [ -0.0028245600000000, -0.0002312900000000, 0.0009718600000000 ] - [ -0.0001171800000000, -0.0012807200000000, 0.0008743700000000 ] - [ -0.0000040400000000, -0.0000437900000000, -0.0001573900000000 ] - [ 0.0000030600000000, -0.0000526000000000, -0.0001174800000000 ] - [ 0.0004624700000000, 0.0005533800000000, -0.0003955800000000 ] - [ 0.0002015700000000, -0.0004937200000000, 0.0002218900000000 ] - [ 0.0001012300000000, 0.0000550600000000, -0.0000494700000000 ] - [ -0.0002456200000000, 0.0000941800000000, 0.0001234600000000 ] - [ 0.0000016300000000, 0.0001074800000000, 0.0000386600000000 ] - [ 0.0001775100000000, 0.0000338500000000, 0.0002105700000000 ] - [ 0.0005143300000000, -0.0002430500000000, 0.0002347700000000 ] - [ -0.0001661200000000, -0.0003239700000000, -0.0005673200000000 ] - [ -0.0001081400000000, 0.0001652400000000, 0.0000103400000000 ] - [ -0.0000287600000000, 0.0001513000000000, 0.0000620600000000 ] - [ 0.0001753100000000, 0.0000919400000000, 0.0001358100000000 ] - [ -0.0002302800000000, -0.0001613000000000, -0.0000291900000000 ] - [ 0.0000598300000000, -0.0002647800000000, 0.0004103300000000 ] - [ 0.0008348100000000, -0.0003427100000000, 0.0001347200000000 ] - [ 0.0000073600000000, -0.0000804200000000, 0.0002718400000000 ] - [ 0.0000363200000000, -0.0001952500000000, 0.0000443900000000 ] - [ 0.0038994800000000, -0.0003743600000000, -0.0045553900000000 ] - [ -0.0000033000000000, -0.0000077900000000, -0.0003358500000000 ] - [ -0.0000886800000000, 0.0000496900000000, -0.0001452200000000 ] - [ -0.0000473500000000, -0.0000057900000000, 0.0002526400000000 ] - [ -0.0001539600000000, -0.0002040700000000, 0.0003212600000000 ] - [ -0.0004740200000000, -0.0000491300000000, -0.0000449000000000 ] - [ -0.0017322500000000, -0.0005309700000000, -0.0092530600000000 ] - [ -0.0000334100000000, 0.0001649200000000, -0.0002365600000000 ] - [ -0.0000835900000000, -0.0003474600000000, 0.0001523000000000 ] - [ 0.0007811200000000, 0.0002818500000000, -0.0001936800000000 ] - [ 0.0000799000000000, 0.0002362100000000, 0.0000460500000000 ] - [ -0.0000902900000000, 0.0004477200000000, 0.0002544000000000 ] - [ -0.0000972700000000, -0.0002369700000000, 0.0001653800000000 ] - [ -0.0003091600000000, -0.0004663200000000, -0.0005949800000000 ] - [ 0.0027711500000000, 0.0003489100000000, -0.0013288100000000 ] - [ 0.0000371600000000, 0.0002743000000000, -0.0001302700000000 ] - [ -0.0004139000000000, 0.0000632400000000, -0.0000446900000000 ] - [ 0.0005022800000000, 0.0005312200000000, -0.0008906700000000 ] - [ 0.0000522500000000, 0.0004084600000000, -0.0000595500000000 ] - [ 0.0002078700000000, -0.0001017200000000, 0.0003152700000000 ] - [ -0.0000637700000000, 0.0001747000000000, -0.0001326600000000 ] - [ 0.0002128700000000, 0.0005477400000000, -0.0004396700000000 ]- atom: 3 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ -0.0001390400000000, 0.0002515400000000, 0.0002490100000000 ] - [ 0.0006123800000000, -0.0000136300000000, -0.0000055300000000 ] - [ -0.0161525500000000, -0.0005595900000000, 0.0015274300000000 ] - [ -0.0001980300000000, 0.0000020100000000, 0.0001452300000000 ] - [ -0.0000192100000000, 0.0001069300000000, 0.0001431600000000 ] - [ -0.0001748000000000, -0.0001570500000000, -0.0000032500000000 ] - [ -0.0001831800000000, 0.0000004500000000, 0.0000840100000000 ] - [ 0.0001670700000000, -0.0000589100000000, 0.0000278500000000 ] - [ -0.0002456200000000, 0.0002827900000000, 0.0001371300000000 ] - [ 0.0002666700000000, -0.0000752900000000, 0.0002945700000000 ] - [ 0.0002718800000000, 0.0000236000000000, -0.0001888100000000 ] - [ 0.0004325200000000, -0.0000206600000000, -0.0003970700000000 ] - [ -0.0002439000000000, -0.0000918000000000, -0.0000244600000000 ] - [ 0.0001208500000000, 0.0000956100000000, -0.0000750200000000 ] - [ 0.0000530900000000, -0.0000342100000000, 0.0001301200000000 ] - [ -0.0000584300000000, -0.0000216900000000, -0.0001562400000000 ] - [ -0.0002132300000000, -0.0003784700000000, -0.0000616900000000 ] - [ 0.0000207900000000, 0.0000745800000000, 0.0000037400000000 ] - [ 0.0015160100000000, -0.0001079900000000, 0.0005205200000000 ] - [ 0.0001765700000000, -0.0001776300000000, -0.0000716700000000 ] - [ -0.0003039700000000, 0.0000745400000000, -0.0000269900000000 ] - [ -0.0004004500000000, 0.0001307700000000, -0.0005905000000000 ] - [ -0.0002238600000000, 0.0000946400000000, 0.0000227500000000 ] - [ -0.0000586600000000, 0.0002103400000000, 0.0000192000000000 ] - [ 0.0000272800000000, -0.0006578000000000, 0.0000778500000000 ] - [ -0.0001918800000000, 0.0000256200000000, 0.0003207500000000 ] - [ 0.0003529700000000, -0.0001234700000000, 0.0000668600000000 ] - [ -0.0003267400000000, -0.0003702800000000, 0.0000560300000000 ] - [ 0.0004276500000000, 0.0000871900000000, 0.0000675500000000 ] - [ 0.0000395800000000, -0.0000027800000000, 0.0000353700000000 ] - [ -0.0001132700000000, 0.0002253100000000, -0.0003678000000000 ] - [ 0.0001790000000000, -0.0000986600000000, -0.0000713100000000 ] - [ 0.0001368700000000, -0.0000637300000000, -0.0000485800000000 ] - [ -0.0003740700000000, 0.0000536700000000, -0.0002093600000000 ] - [ -0.0002639700000000, 0.0001786800000000, -0.0005584900000000 ] - [ -0.0003910600000000, 0.0001777300000000, 0.0000189000000000 ] - [ 0.0000319700000000, -0.0003175000000000, 0.0003058700000000 ] - [ -0.0007300100000000, 0.0010297200000000, 0.0000937500000000 ] - [ -0.0006491700000000, -0.0003162400000000, -0.0002660200000000 ] - [ 0.0001476600000000, -0.0001469200000000, -0.0001401100000000 ] - [ 0.0001566700000000, 0.0000457900000000, -0.0000130200000000 ] - [ 0.0014072800000000, 0.0001397200000000, 0.0002970900000000 ] - [ 0.0001435600000000, 0.0000297500000000, 0.0001446300000000 ] - [ -0.0003106100000000, -0.0002116400000000, -0.0002366400000000 ] - [ 0.0000858500000000, 0.0026221800000000, 0.0004471500000000 ] - [ 0.0013114100000000, 0.0002700900000000, 0.0005235300000000 ] - [ 0.0014549700000000, -0.0006599200000000, 0.0008603100000000 ] - [ 0.0004819700000000, 0.0026108400000000, -0.0006914000000000 ] - [ -0.0000375300000000, -0.0003463200000000, -0.0001242900000000 ] - [ 0.0009510000000000, -0.0014080000000000, -0.0002959300000000 ] - [ 0.0002587600000000, 0.0002996900000000, 0.0001894600000000 ] - [ -0.0004810500000000, -0.0005272000000000, 0.0001556800000000 ] - [ 0.0001545800000000, 0.0000770500000000, -0.0002468700000000 ] - [ -0.0003286700000000, 0.0000948000000000, 0.0001469600000000 ] - [ -0.0001182200000000, 0.0001412700000000, 0.0001460100000000 ] - [ 0.0001722400000000, 0.0001203900000000, 0.0001926100000000 ] - [ 0.0004043700000000, -0.0001226400000000, 0.0001583900000000 ] - [ -0.0001714600000000, -0.0004342400000000, -0.0002564100000000 ] - [ -0.0001494200000000, 0.0001269000000000, -0.0001416400000000 ] - [ 0.0001354000000000, 0.0000993800000000, 0.0001489200000000 ] - [ 0.0002439400000000, 0.0001488800000000, -0.0001687400000000 ] - [ -0.0001379900000000, -0.0000714500000000, -0.0001943200000000 ] - [ 0.0000063300000000, -0.0003022600000000, 0.0003121900000000 ] - [ 0.0036687800000000, -0.0001968000000000, -0.0028306700000000 ] - [ -0.0000602400000000, -0.0000415500000000, 0.0000782200000000 ] - [ 0.0005579200000000, -0.0003066100000000, -0.0000393300000000 ] - [ -0.0003882100000000, -0.0003317900000000, -0.0005237700000000 ] - [ -0.0001517900000000, 0.0003459900000000, -0.0002650200000000 ] - [ 0.0000200800000000, -0.0002451200000000, -0.0002969600000000 ] - [ -0.0000823100000000, -0.0001598800000000, 0.0001653700000000 ] - [ -0.0003456700000000, -0.0002545600000000, 0.0003046900000000 ] - [ -0.0004362300000000, 0.0002627000000000, -0.0000407700000000 ] - [ -0.0006723500000000, 0.0001558700000000, -0.0001137500000000 ] - [ -0.0000482900000000, -0.0001362100000000, -0.0001825500000000 ] - [ -0.0000305100000000, -0.0004454000000000, 0.0002022400000000 ] - [ 0.0002072100000000, 0.0004134500000000, 0.0000316600000000 ] - [ 0.0001120500000000, 0.0003553100000000, 0.0000364200000000 ] - [ -0.0000059300000000, 0.0004091900000000, 0.0003762000000000 ] - [ 0.0000113800000000, -0.0003331600000000, 0.0000656800000000 ] - [ 0.0014329300000000, 0.0001304500000000, 0.0031475100000000 ] - [ 0.0073106500000000, -0.0017800500000000, -0.0027989200000000 ] - [ -0.0000276400000000, 0.0004376400000000, 0.0003788900000000 ] - [ -0.0004531300000000, -0.0001584400000000, -0.0000552000000000 ] - [ -0.0001389800000000, -0.0006454300000000, -0.0000588300000000 ] - [ 0.0000502000000000, 0.0004345500000000, 0.0001085500000000 ] - [ 0.0002735300000000, -0.0003239800000000, 0.0001991200000000 ] - [ -0.0001054900000000, 0.0002112600000000, -0.0003021000000000 ] - [ 0.0003429500000000, 0.0001281100000000, -0.0000250900000000 ]- atom: 3 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0000260500000000, 0.0002414400000000, 0.0003128300000000 ] - [ -0.0004893700000000, 0.0001457900000000, 0.0000306900000000 ] - [ 0.0164660000000000, 0.0004689900000000, -0.0014078100000000 ] - [ -0.0002208100000000, -0.0000065300000000, 0.0000823100000000 ] - [ -0.0000338800000000, -0.0000574300000000, 0.0001020200000000 ] - [ -0.0002967700000000, -0.0001299800000000, -0.0000102100000000 ] - [ -0.0002361500000000, 0.0000031600000000, 0.0001429100000000 ] - [ -0.0000421100000000, -0.0000727000000000, -0.0000040000000000 ] - [ -0.0001714900000000, 0.0001526900000000, 0.0001392000000000 ] - [ 0.0001705500000000, -0.0001330800000000, -0.0002755800000000 ] - [ 0.0001487400000000, -0.0000200800000000, -0.0000395300000000 ] - [ -0.0003776600000000, 0.0000720900000000, 0.0001513400000000 ] - [ -0.0001922000000000, -0.0001187600000000, 0.0000063400000000 ] - [ 0.0003341400000000, 0.0000666100000000, 0.0000569300000000 ] - [ -0.0001081100000000, -0.0000179900000000, 0.0001151900000000 ] - [ 0.0002235200000000, -0.0004726500000000, -0.0004064900000000 ] - [ -0.0002220900000000, 0.0005849900000000, 0.0000420600000000 ] - [ -0.0001459900000000, 0.0000559300000000, -0.0000305700000000 ] - [ -0.0010788000000000, 0.0001044800000000, -0.0007392200000000 ] - [ 0.0002595400000000, 0.0003899700000000, 0.0000908800000000 ] - [ -0.0001499600000000, 0.0000895300000000, 0.0000446300000000 ] - [ 0.0005656200000000, 0.0003619100000000, 0.0000328800000000 ] - [ -0.0002305600000000, -0.0002581100000000, -0.0000051000000000 ] - [ -0.0004115600000000, 0.0000770400000000, -0.0000343500000000 ] - [ 0.0003924700000000, 0.0002220300000000, -0.0003547100000000 ] - [ 0.0000266700000000, -0.0005200200000000, 0.0002363100000000 ] - [ 0.0001186700000000, -0.0001648000000000, -0.0000529400000000 ] - [ -0.0000925800000000, -0.0000663100000000, 0.0002240100000000 ] - [ 0.0000460500000000, 0.0001990500000000, -0.0000558500000000 ] - [ -0.0001640000000000, -0.0001298700000000, -0.0000602400000000 ] - [ 0.0005346800000000, 0.0002111300000000, 0.0000916000000000 ] - [ -0.0001235900000000, 0.0000479200000000, -0.0001747000000000 ] - [ -0.0001169700000000, 0.0000924000000000, -0.0000247000000000 ] - [ -0.0004361500000000, -0.0001179100000000, 0.0000611800000000 ] - [ -0.0005451900000000, -0.0001095800000000, 0.0004061300000000 ] - [ -0.0000585800000000, -0.0002606200000000, -0.0004541700000000 ] - [ 0.0004264300000000, -0.0000461300000000, 0.0002529200000000 ] - [ 0.0002597800000000, -0.0006629200000000, -0.0006451000000000 ] - [ 0.0001944100000000, -0.0000483000000000, -0.0002940900000000 ] - [ -0.0001655000000000, 0.0001202300000000, 0.0002064100000000 ] - [ -0.0001761300000000, -0.0000148000000000, 0.0000853000000000 ] - [ -0.0005989300000000, -0.0002097700000000, -0.0001474200000000 ] - [ 0.0003058500000000, 0.0000516000000000, 0.0002920700000000 ] - [ -0.0001370500000000, 0.0002911200000000, -0.0002025500000000 ] - [ 0.0003761600000000, -0.0022745900000000, 0.0001117400000000 ] - [ -0.0008599900000000, -0.0003538900000000, -0.0000933700000000 ] - [ -0.0014472000000000, 0.0006315300000000, -0.0009340200000000 ] - [ 0.0003329800000000, -0.0025377000000000, 0.0008358800000000 ] - [ -0.0000096200000000, 0.0002834000000000, -0.0002455900000000 ] - [ -0.0009198200000000, 0.0011241900000000, 0.0001468500000000 ] - [ 0.0000835300000000, 0.0000365600000000, 0.0004330600000000 ] - [ 0.0007729000000000, -0.0003308000000000, -0.0005751100000000 ] - [ 0.0003346900000000, 0.0000477100000000, -0.0001489200000000 ] - [ -0.0001577900000000, 0.0000299500000000, 0.0002516500000000 ] - [ 0.0001706100000000, 0.0001196700000000, 0.0002025700000000 ] - [ 0.0001103600000000, 0.0000399400000000, 0.0001103000000000 ] - [ 0.0004603300000000, -0.0001822300000000, 0.0000164500000000 ] - [ -0.0001712200000000, 0.0000945600000000, -0.0003629400000000 ] - [ -0.0001329200000000, 0.0000329900000000, -0.0001598400000000 ] - [ -0.0001574400000000, 0.0001627800000000, -0.0000023000000000 ] - [ -0.0002256300000000, 0.0001140300000000, 0.0000231000000000 ] - [ 0.0000851600000000, -0.0001900600000000, -0.0001533600000000 ] - [ 0.0001432500000000, -0.0002299500000000, 0.0003756500000000 ] - [ -0.0035449300000000, 0.0000245100000000, 0.0032328300000000 ] - [ 0.0001074200000000, 0.0001070000000000, 0.0002921500000000 ] - [ -0.0005776700000000, 0.0000596600000000, 0.0001839500000000 ] - [ 0.0002338100000000, -0.0001986700000000, -0.0001671100000000 ] - [ 0.0000037400000000, 0.0001845300000000, -0.0004241400000000 ] - [ -0.0002994500000000, 0.0000852400000000, -0.0000058000000000 ] - [ 0.0001352900000000, -0.0001012400000000, 0.0001818300000000 ] - [ -0.0001413300000000, 0.0001290300000000, 0.0000898700000000 ] - [ -0.0004277200000000, 0.0000410300000000, -0.0001348100000000 ] - [ 0.0006203700000000, 0.0001056300000000, -0.0002346800000000 ] - [ 0.0000033400000000, 0.0002002800000000, -0.0001884600000000 ] - [ -0.0002600900000000, -0.0004165300000000, 0.0002126600000000 ] - [ 0.0006579300000000, -0.0001119600000000, 0.0001478200000000 ] - [ -0.0000037400000000, 0.0002285100000000, -0.0001716300000000 ] - [ -0.0002852500000000, 0.0004514500000000, 0.0000361300000000 ] - [ -0.0001182100000000, -0.0002512400000000, 0.0000691000000000 ] - [ -0.0013342300000000, -0.0007247700000000, -0.0033446600000000 ] - [ -0.0070036700000000, 0.0017005500000000, 0.0030191400000000 ] - [ 0.0001761100000000, 0.0000923900000000, 0.0003084800000000 ] - [ -0.0004093600000000, -0.0001458100000000, -0.0001227200000000 ] - [ 0.0006271000000000, 0.0005210700000000, -0.0003403200000000 ] - [ -0.0001566900000000, 0.0001499800000000, 0.0000284000000000 ] - [ 0.0000723800000000, -0.0000167500000000, 0.0004209500000000 ] - [ -0.0002376200000000, 0.0001263700000000, -0.0003189500000000 ] - [ -0.0000507700000000, 0.0007298800000000, -0.0003886600000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001368300000000, 0.0003089700000000, 0.0002799800000000 ] - [ 0.0001888000000000, 0.0000762500000000, 0.0000054100000000 ] - [ -0.0002634200000000, -0.0145621600000000, -0.0000236500000000 ] - [ -0.0001983500000000, 0.0000815400000000, 0.0001467100000000 ] - [ 0.0000468800000000, 0.0000169800000000, 0.0000703000000000 ] - [ -0.0002235600000000, -0.0001445700000000, -0.0000027600000000 ] - [ -0.0001873500000000, -0.0000026500000000, 0.0000404600000000 ] - [ 0.0000802400000000, -0.0000883700000000, 0.0000804100000000 ] - [ -0.0002342500000000, 0.0002773900000000, 0.0000733300000000 ] - [ 0.0002209500000000, -0.0000207100000000, 0.0000613000000000 ] - [ 0.0002588500000000, 0.0000111300000000, -0.0001895900000000 ] - [ 0.0000842000000000, 0.0000181000000000, -0.0001598500000000 ] - [ -0.0002165400000000, -0.0001378100000000, 0.0000303100000000 ] - [ 0.0002120800000000, 0.0000732400000000, -0.0000618300000000 ] - [ 0.0000447100000000, -0.0000088200000000, 0.0000860400000000 ] - [ 0.0002888100000000, -0.0000538400000000, 0.0004722800000000 ] - [ -0.0007876600000000, 0.0003438000000000, 0.0002484600000000 ] - [ 0.0000102600000000, 0.0001060700000000, -0.0000012100000000 ] - [ 0.0001909200000000, -0.0002238700000000, -0.0000886600000000 ] - [ -0.0002103100000000, 0.0001470300000000, 0.0001916000000000 ] - [ -0.0002348200000000, 0.0000857400000000, -0.0000362400000000 ] - [ -0.0000157200000000, 0.0001532300000000, -0.0002338800000000 ] - [ -0.0004029700000000, 0.0009372500000000, 0.0000756800000000 ] - [ -0.0001732500000000, 0.0001521400000000, 0.0000149200000000 ] - [ -0.0002820400000000, 0.0000224100000000, -0.0009274200000000 ] - [ 0.0000981200000000, -0.0000992600000000, 0.0008024200000000 ] - [ 0.0002533300000000, -0.0001457000000000, 0.0000151400000000 ] - [ -0.0004689100000000, -0.0001261300000000, -0.0002855700000000 ] - [ 0.0002930000000000, 0.0001276400000000, 0.0000065200000000 ] - [ -0.0000407800000000, -0.0000391400000000, 0.0000350500000000 ] - [ 0.0001792600000000, 0.0001720800000000, -0.0001837500000000 ] - [ 0.0000874000000000, -0.0000492100000000, -0.0001559800000000 ] - [ 0.0000380300000000, -0.0000614800000000, -0.0000284700000000 ] - [ -0.0004841200000000, -0.0001303900000000, -0.0001375200000000 ] - [ -0.0003537900000000, 0.0005477000000000, -0.0004454100000000 ] - [ -0.0002444300000000, 0.0001857400000000, -0.0000232300000000 ] - [ 0.0002013400000000, -0.0002532500000000, 0.0002445500000000 ] - [ 0.0027183300000000, 0.0009945000000000, -0.0009018200000000 ] - [ -0.0002601500000000, -0.0001275500000000, -0.0003116800000000 ] - [ 0.0002622100000000, 0.0002715500000000, 0.0003801900000000 ] - [ 0.0000180500000000, 0.0000630500000000, 0.0000303600000000 ] - [ 0.0002060000000000, 0.0002523700000000, 0.0000214800000000 ] - [ 0.0001191900000000, 0.0001062500000000, 0.0002076500000000 ] - [ -0.0003483900000000, -0.0000260400000000, -0.0002677300000000 ] - [ 0.0032966000000000, -0.0002086100000000, -0.0003892100000000 ] - [ 0.0003558900000000, 0.0000131100000000, 0.0003840800000000 ] - [ 0.0001107300000000, -0.0003297300000000, 0.0002913500000000 ] - [ 0.0010602100000000, -0.0006086600000000, -0.0004088600000000 ] - [ -0.0002497600000000, -0.0004223400000000, -0.0001213700000000 ] - [ -0.0018946100000000, 0.0071504400000000, 0.0007214900000000 ] - [ 0.0001897500000000, 0.0001719200000000, 0.0003249000000000 ] - [ 0.0001088400000000, -0.0007544700000000, -0.0012117300000000 ] - [ 0.0002287900000000, 0.0000558000000000, -0.0002075000000000 ] - [ -0.0002274700000000, 0.0000666800000000, 0.0001971300000000 ] - [ -0.0001244700000000, 0.0000276900000000, 0.0001524000000000 ] - [ 0.0001849300000000, 0.0001265100000000, 0.0002063600000000 ] - [ 0.0004292800000000, -0.0001179500000000, 0.0000974700000000 ] - [ -0.0004916200000000, 0.0000032500000000, -0.0004356800000000 ] - [ -0.0001120700000000, 0.0000421500000000, -0.0001071000000000 ] - [ 0.0000106000000000, 0.0001070100000000, 0.0001123500000000 ] - [ 0.0000415000000000, 0.0001501700000000, -0.0000350100000000 ] - [ -0.0000469600000000, -0.0000847600000000, -0.0002000100000000 ] - [ 0.0000294100000000, -0.0003052900000000, 0.0002779000000000 ] - [ 0.0001906400000000, 0.0002654600000000, -0.0001521600000000 ] - [ 0.0000728400000000, 0.0001776200000000, 0.0003428300000000 ] - [ -0.0010726200000000, 0.0048931100000000, -0.0001076100000000 ] - [ -0.0002215100000000, -0.0002784800000000, -0.0004162400000000 ] - [ -0.0001256600000000, 0.0002620900000000, -0.0003562500000000 ] - [ -0.0006644600000000, -0.0006000400000000, -0.0001692900000000 ] - [ -0.0000072200000000, -0.0001820700000000, 0.0001550400000000 ] - [ -0.0004901200000000, -0.0001729400000000, 0.0003765900000000 ] - [ -0.0003009900000000, -0.0001542500000000, -0.0001151800000000 ] - [ -0.0002209400000000, 0.0002133700000000, -0.0001912900000000 ] - [ 0.0000084000000000, -0.0000577100000000, -0.0000624600000000 ] - [ -0.0000712000000000, -0.0003772000000000, 0.0000648400000000 ] - [ 0.0006119800000000, 0.0003123000000000, 0.0000746400000000 ] - [ 0.0001740200000000, 0.0002967700000000, -0.0001089800000000 ] - [ -0.0001470400000000, 0.0003760100000000, 0.0004366700000000 ] - [ -0.0000657100000000, -0.0006049400000000, -0.0000914300000000 ] - [ 0.0006650800000000, -0.0003669200000000, 0.0008975100000000 ] - [ -0.0010369800000000, 0.0007295300000000, 0.0004842700000000 ] - [ 0.0000093400000000, 0.0002990200000000, 0.0003717400000000 ] - [ -0.0004181200000000, -0.0001659900000000, -0.0000660200000000 ] - [ 0.0001254200000000, 0.0002416000000000, -0.0000922600000000 ] - [ 0.0000791100000000, 0.0002685100000000, 0.0000254300000000 ] - [ -0.0002191500000000, -0.0003537200000000, 0.0001196300000000 ] - [ -0.0001639500000000, 0.0001914800000000, -0.0003067000000000 ] - [ 0.0000559500000000, 0.0004732900000000, 0.0000834400000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000297700000000, 0.0001839200000000, 0.0002814900000000 ] - [ -0.0000664700000000, 0.0000558100000000, 0.0000169200000000 ] - [ 0.0007614600000000, 0.0143302400000000, -0.0000374500000000 ] - [ -0.0002231300000000, -0.0000850900000000, 0.0000817700000000 ] - [ -0.0001020900000000, 0.0000328400000000, 0.0001736800000000 ] - [ -0.0002473700000000, -0.0001437200000000, -0.0000137200000000 ] - [ -0.0002341800000000, 0.0000041300000000, 0.0001876300000000 ] - [ 0.0000442200000000, -0.0000436600000000, -0.0000554500000000 ] - [ -0.0001828400000000, 0.0001578500000000, 0.0002026400000000 ] - [ 0.0002179300000000, -0.0001870200000000, -0.0000429700000000 ] - [ 0.0001629800000000, -0.0000091300000000, -0.0000391700000000 ] - [ -0.0000272800000000, 0.0000334000000000, -0.0000849900000000 ] - [ -0.0002223300000000, -0.0000709100000000, -0.0000473700000000 ] - [ 0.0002421300000000, 0.0000887200000000, 0.0000445400000000 ] - [ -0.0001018500000000, -0.0000437200000000, 0.0001581400000000 ] - [ -0.0001209400000000, -0.0004391900000000, -0.0010284700000000 ] - [ 0.0003537200000000, -0.0001394100000000, -0.0002686700000000 ] - [ -0.0001350800000000, 0.0000240000000000, -0.0000244100000000 ] - [ 0.0002281000000000, 0.0002218900000000, -0.0001406200000000 ] - [ 0.0006470700000000, 0.0000613600000000, -0.0001739100000000 ] - [ -0.0002191200000000, 0.0000781100000000, 0.0000534700000000 ] - [ 0.0001811600000000, 0.0003397600000000, -0.0003209000000000 ] - [ -0.0000512100000000, -0.0011012200000000, -0.0000591400000000 ] - [ -0.0002973800000000, 0.0001359900000000, -0.0000319800000000 ] - [ 0.0006956200000000, -0.0004565100000000, 0.0006454800000000 ] - [ -0.0002650000000000, -0.0003961000000000, -0.0002495500000000 ] - [ 0.0002171600000000, -0.0001437600000000, 0.0000020300000000 ] - [ 0.0000519500000000, -0.0003113500000000, 0.0005688600000000 ] - [ 0.0001785600000000, 0.0001593000000000, 0.0000098900000000 ] - [ -0.0000831700000000, -0.0000936400000000, -0.0000587100000000 ] - [ 0.0002398000000000, 0.0002637300000000, -0.0000968500000000 ] - [ -0.0000323000000000, -0.0000019200000000, -0.0000887700000000 ] - [ -0.0000189400000000, 0.0000871700000000, -0.0000454000000000 ] - [ -0.0003297800000000, 0.0000717000000000, -0.0000043700000000 ] - [ -0.0004576800000000, -0.0004905600000000, 0.0003041600000000 ] - [ -0.0002048700000000, -0.0002661100000000, -0.0004143900000000 ] - [ 0.0002642200000000, -0.0001150400000000, 0.0003060800000000 ] - [ -0.0031706300000000, -0.0006228900000000, 0.0003445200000000 ] - [ -0.0002025700000000, -0.0002389900000000, -0.0002423900000000 ] - [ -0.0002797300000000, -0.0002973800000000, -0.0003106300000000 ] - [ -0.0000359400000000, -0.0000369900000000, 0.0000411300000000 ] - [ 0.0006020000000000, -0.0003204800000000, 0.0001220600000000 ] - [ 0.0003302100000000, -0.0000255300000000, 0.0002323800000000 ] - [ -0.0001007400000000, 0.0001059500000000, -0.0001736800000000 ] - [ -0.0028506600000000, 0.0005802400000000, 0.0009450000000000 ] - [ 0.0000996900000000, -0.0000910500000000, 0.0000507000000000 ] - [ -0.0000937200000000, 0.0003009200000000, -0.0003587600000000 ] - [ -0.0002477000000000, 0.0006617500000000, 0.0005505500000000 ] - [ 0.0002015100000000, 0.0003609400000000, -0.0002471200000000 ] - [ 0.0018904700000000, -0.0070829100000000, -0.0008518500000000 ] - [ 0.0001561200000000, 0.0001692400000000, 0.0002986600000000 ] - [ 0.0001845600000000, -0.0000928100000000, 0.0007911800000000 ] - [ 0.0002569900000000, 0.0000695200000000, -0.0001866100000000 ] - [ -0.0002557600000000, 0.0000585500000000, 0.0002001900000000 ] - [ 0.0001737800000000, 0.0002316500000000, 0.0001977100000000 ] - [ 0.0000966300000000, 0.0000308400000000, 0.0000984700000000 ] - [ 0.0004342700000000, -0.0001819700000000, 0.0000772600000000 ] - [ 0.0001480100000000, -0.0003478900000000, -0.0001851000000000 ] - [ -0.0001708200000000, 0.0001145700000000, -0.0001964900000000 ] - [ -0.0000355500000000, 0.0001566200000000, 0.0000346300000000 ] - [ -0.0000206100000000, 0.0001128600000000, -0.0001106200000000 ] - [ -0.0000028100000000, -0.0001754000000000, -0.0001497000000000 ] - [ 0.0001200000000000, -0.0002259700000000, 0.0004085800000000 ] - [ 0.0001072600000000, -0.0004193400000000, 0.0004477600000000 ] - [ -0.0000254300000000, -0.0001163300000000, 0.0000253700000000 ] - [ 0.0010403300000000, -0.0054066600000000, 0.0002763600000000 ] - [ 0.0000695400000000, -0.0002526900000000, -0.0002709500000000 ] - [ -0.0000232100000000, 0.0002683000000000, -0.0003312700000000 ] - [ 0.0003843800000000, 0.0004439100000000, -0.0001350600000000 ] - [ 0.0000573000000000, -0.0000783600000000, 0.0001935600000000 ] - [ 0.0000072100000000, 0.0000463800000000, 0.0000162700000000 ] - [ -0.0005636300000000, 0.0004536400000000, -0.0000599000000000 ] - [ 0.0001700200000000, 0.0000465500000000, -0.0001581300000000 ] - [ -0.0000545300000000, 0.0001177100000000, -0.0003065200000000 ] - [ -0.0002218500000000, -0.0004834700000000, 0.0003482800000000 ] - [ 0.0002516400000000, -0.0000125600000000, 0.0001019400000000 ] - [ -0.0000704300000000, 0.0002872900000000, -0.0000252900000000 ] - [ -0.0001468900000000, 0.0004835700000000, -0.0000276800000000 ] - [ -0.0000381900000000, 0.0000193300000000, 0.0002248200000000 ] - [ -0.0005511200000000, -0.0002095800000000, -0.0010069300000000 ] - [ 0.0010595000000000, -0.0007857800000000, -0.0001040800000000 ] - [ 0.0001389700000000, 0.0002301100000000, 0.0003148200000000 ] - [ -0.0004442500000000, -0.0001343000000000, -0.0001108700000000 ] - [ 0.0003581500000000, -0.0003656800000000, -0.0003045400000000 ] - [ -0.0001821100000000, 0.0003148000000000, 0.0001111900000000 ] - [ 0.0005647600000000, 0.0000091300000000, 0.0005004000000000 ] - [ -0.0001839700000000, 0.0001513100000000, -0.0003143400000000 ] - [ 0.0002362700000000, 0.0003875100000000, -0.0004948200000000 ]- atom: 3 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ -0.0000690400000000, 0.0002511000000000, 0.0002933600000000 ] - [ -0.0000435700000000, 0.0001467000000000, 0.0001010400000000 ] - [ 0.0025071500000000, -0.0000142500000000, -0.0145407800000000 ] - [ -0.0002172300000000, 0.0000045200000000, 0.0001010100000000 ] - [ -0.0000213000000000, -0.0000391500000000, 0.0001145700000000 ] - [ -0.0002252600000000, -0.0001512300000000, 0.0000044400000000 ] - [ -0.0002181900000000, -0.0000141000000000, 0.0001589800000000 ] - [ 0.0001313600000000, 0.0000171100000000, 0.0000017200000000 ] - [ -0.0002062400000000, 0.0001609700000000, 0.0001314400000000 ] - [ 0.0001907800000000, -0.0000652800000000, 0.0004365100000000 ] - [ 0.0001897700000000, 0.0000215700000000, 0.0000661400000000 ] - [ 0.0000105400000000, 0.0000587000000000, -0.0000939900000000 ] - [ -0.0002413800000000, -0.0000445300000000, -0.0000281000000000 ] - [ 0.0001683700000000, 0.0001338700000000, 0.0001342900000000 ] - [ 0.0000038600000000, -0.0001236000000000, 0.0001188000000000 ] - [ 0.0001510800000000, 0.0004552100000000, -0.0000913700000000 ] - [ -0.0003462600000000, 0.0004281500000000, -0.0000598400000000 ] - [ -0.0000663300000000, 0.0000624100000000, -0.0000105000000000 ] - [ 0.0008532900000000, 0.0000044300000000, -0.0005098500000000 ] - [ 0.0001459700000000, 0.0002681200000000, -0.0000466300000000 ] - [ -0.0002583900000000, 0.0000377400000000, 0.0000661400000000 ] - [ -0.0001816900000000, 0.0003326500000000, 0.0003270200000000 ] - [ -0.0002130100000000, -0.0001584700000000, 0.0000970400000000 ] - [ -0.0001907100000000, 0.0001548600000000, -0.0000676100000000 ] - [ 0.0004314700000000, -0.0009883300000000, 0.0001504000000000 ] - [ -0.0001266000000000, 0.0002511900000000, 0.0002238200000000 ] - [ 0.0002955700000000, -0.0001479500000000, 0.0001931600000000 ] - [ -0.0002504400000000, -0.0005858300000000, 0.0001053500000000 ] - [ 0.0002554600000000, 0.0001048100000000, -0.0000652900000000 ] - [ -0.0000261600000000, 0.0000211200000000, 0.0000083800000000 ] - [ -0.0000674500000000, 0.0001808000000000, 0.0000214000000000 ] - [ 0.0000281100000000, -0.0001258100000000, -0.0000757800000000 ] - [ 0.0000875000000000, 0.0001157400000000, 0.0000998300000000 ] - [ -0.0004543200000000, 0.0000655900000000, -0.0002027300000000 ] - [ -0.0004205700000000, 0.0000320000000000, -0.0000836100000000 ] - [ -0.0002726800000000, -0.0000514600000000, -0.0002098400000000 ] - [ 0.0002102200000000, -0.0003111600000000, 0.0003162700000000 ] - [ -0.0001182600000000, -0.0000973400000000, -0.0004879700000000 ] - [ -0.0007358700000000, -0.0006974600000000, 0.0000410100000000 ] - [ -0.0000669300000000, -0.0001640200000000, 0.0000459500000000 ] - [ 0.0001787500000000, -0.0000600400000000, 0.0001035800000000 ] - [ 0.0020251700000000, 0.0008949300000000, 0.0012816400000000 ] - [ 0.0000124300000000, 0.0000654500000000, 0.0002952400000000 ] - [ -0.0004379400000000, -0.0002356800000000, -0.0000899100000000 ] - [ 0.0000647800000000, -0.0006959400000000, -0.0001483000000000 ] - [ 0.0025593100000000, 0.0004244300000000, -0.0010599600000000 ] - [ -0.0005297200000000, 0.0002580900000000, -0.0012315800000000 ] - [ 0.0001803500000000, -0.0012460000000000, 0.0005307800000000 ] - [ -0.0000099700000000, 0.0001178700000000, -0.0001416900000000 ] - [ -0.0002654400000000, 0.0003340100000000, 0.0002147500000000 ] - [ 0.0001451800000000, 0.0003845600000000, -0.0002764600000000 ] - [ 0.0000679500000000, -0.0016004200000000, 0.0023980900000000 ] - [ -0.0001758500000000, 0.0000900600000000, -0.0004161600000000 ] - [ -0.0002189600000000, 0.0000395700000000, 0.0001989100000000 ] - [ -0.0000984600000000, 0.0002066900000000, 0.0002057400000000 ] - [ 0.0001421300000000, 0.0000291600000000, 0.0001116200000000 ] - [ 0.0003949300000000, -0.0001818500000000, -0.0000339800000000 ] - [ -0.0003353900000000, -0.0002929900000000, 0.0000597500000000 ] - [ -0.0002152800000000, 0.0002769000000000, -0.0002758100000000 ] - [ 0.0000185700000000, 0.0001716400000000, -0.0000129200000000 ] - [ 0.0002855400000000, 0.0001841100000000, -0.0003979800000000 ] - [ -0.0000088100000000, -0.0001156500000000, -0.0002858600000000 ] - [ 0.0000806300000000, -0.0002728800000000, 0.0003747300000000 ] - [ -0.0024011800000000, -0.0004394900000000, 0.0025599300000000 ] - [ -0.0001307100000000, -0.0001868700000000, -0.0002097900000000 ] - [ -0.0001013100000000, -0.0005000000000000, 0.0003592500000000 ] - [ -0.0009777300000000, -0.0002876300000000, -0.0004012200000000 ] - [ -0.0000456700000000, 0.0002157500000000, -0.0003541700000000 ] - [ -0.0001880600000000, 0.0001115700000000, -0.0001349300000000 ] - [ 0.0000218200000000, -0.0001069400000000, 0.0001006200000000 ] - [ -0.0002550400000000, -0.0000245800000000, 0.0002285900000000 ] - [ -0.0003946800000000, 0.0002359900000000, -0.0000369700000000 ] - [ 0.0001834100000000, 0.0002081600000000, 0.0001511300000000 ] - [ -0.0000395100000000, -0.0001446400000000, -0.0002151200000000 ] - [ -0.0000841500000000, -0.0003481600000000, 0.0002593500000000 ] - [ 0.0003601900000000, 0.0002826000000000, 0.0002730200000000 ] - [ 0.0002274300000000, 0.0002635500000000, -0.0001417500000000 ] - [ -0.0000680100000000, 0.0005278200000000, 0.0002412900000000 ] - [ 0.0000010600000000, -0.0002510600000000, 0.0001777500000000 ] - [ 0.0026052700000000, 0.0002127200000000, 0.0077280600000000 ] - [ -0.0035660300000000, 0.0007239000000000, 0.0019348500000000 ] - [ 0.0000706900000000, 0.0002180000000000, 0.0002225300000000 ] - [ -0.0004602200000000, -0.0001341000000000, -0.0001468700000000 ] - [ 0.0003704200000000, 0.0002422700000000, -0.0002843000000000 ] - [ 0.0000970300000000, 0.0002599200000000, -0.0001015800000000 ] - [ 0.0001750600000000, -0.0002689700000000, 0.0004274700000000 ] - [ -0.0001504200000000, 0.0001872400000000, -0.0004046200000000 ] - [ 0.0002678000000000, 0.0006975500000000, -0.0004209200000000 ]- atom: 3 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0000970000000000, 0.0002427800000000, 0.0002655000000000 ] - [ 0.0001657500000000, -0.0000136800000000, -0.0000799100000000 ] - [ -0.0019929800000000, -0.0001013700000000, 0.0148268500000000 ] - [ -0.0002031300000000, -0.0000077800000000, 0.0001256500000000 ] - [ -0.0000353300000000, 0.0000894200000000, 0.0001276400000000 ] - [ -0.0002447700000000, -0.0001366600000000, -0.0000232500000000 ] - [ -0.0002020800000000, 0.0000171100000000, 0.0000664900000000 ] - [ -0.0000066500000000, -0.0001472000000000, 0.0000189700000000 ] - [ -0.0002105600000000, 0.0002750900000000, 0.0001433400000000 ] - [ 0.0002486700000000, -0.0001415400000000, -0.0004192600000000 ] - [ 0.0002324400000000, -0.0000184100000000, -0.0002959800000000 ] - [ 0.0000488800000000, -0.0000066500000000, -0.0001536300000000 ] - [ -0.0001964700000000, -0.0001639400000000, 0.0000080600000000 ] - [ 0.0002855800000000, 0.0000292400000000, -0.0001530900000000 ] - [ -0.0000600400000000, 0.0000706100000000, 0.0001225600000000 ] - [ 0.0000169100000000, -0.0009420500000000, -0.0004707100000000 ] - [ -0.0000919800000000, -0.0002209300000000, 0.0000415200000000 ] - [ -0.0000573500000000, 0.0000689700000000, -0.0000157500000000 ] - [ -0.0004315900000000, -0.0000066100000000, 0.0002764600000000 ] - [ 0.0002928300000000, -0.0000587200000000, 0.0000609300000000 ] - [ -0.0001954600000000, 0.0001264500000000, -0.0000510800000000 ] - [ 0.0003474900000000, 0.0001596400000000, -0.0008903400000000 ] - [ -0.0002408500000000, -0.0000040200000000, -0.0000821700000000 ] - [ -0.0002795000000000, 0.0001338800000000, 0.0000487000000000 ] - [ -0.0000166200000000, 0.0005581100000000, -0.0004296900000000 ] - [ -0.0000368400000000, -0.0007462800000000, 0.0003308200000000 ] - [ 0.0001756800000000, -0.0001408200000000, -0.0001773700000000 ] - [ -0.0001695100000000, 0.0001463900000000, 0.0001698100000000 ] - [ 0.0002154400000000, 0.0001838600000000, 0.0000801100000000 ] - [ -0.0000969700000000, -0.0001537200000000, -0.0000330500000000 ] - [ 0.0004847800000000, 0.0002555900000000, -0.0003005000000000 ] - [ 0.0000279100000000, 0.0000758900000000, -0.0001701700000000 ] - [ -0.0000658700000000, -0.0000878900000000, -0.0001760900000000 ] - [ -0.0003582000000000, -0.0001240100000000, 0.0000595000000000 ] - [ -0.0003919500000000, 0.0000280400000000, -0.0000658200000000 ] - [ -0.0001775300000000, -0.0000305800000000, -0.0002301900000000 ] - [ 0.0002535900000000, -0.0000570300000000, 0.0002315800000000 ] - [ -0.0003550900000000, 0.0004609000000000, -0.0000651500000000 ] - [ 0.0002711000000000, 0.0003273000000000, -0.0005948000000000 ] - [ 0.0000462100000000, 0.0001368600000000, 0.0000235400000000 ] - [ -0.0001965500000000, 0.0000871700000000, -0.0000331600000000 ] - [ -0.0012091800000000, -0.0009517300000000, -0.0011302000000000 ] - [ 0.0004357400000000, 0.0000170800000000, 0.0001415900000000 ] - [ -0.0000123000000000, 0.0003150000000000, -0.0003507700000000 ] - [ 0.0004079500000000, 0.0010701000000000, 0.0006938300000000 ] - [ -0.0021127400000000, -0.0005085400000000, 0.0014995000000000 ] - [ 0.0005523400000000, -0.0002818700000000, 0.0011588700000000 ] - [ 0.0006375100000000, 0.0013048300000000, -0.0003852000000000 ] - [ -0.0000379400000000, -0.0001804900000000, -0.0002280200000000 ] - [ 0.0002940300000000, -0.0006216500000000, -0.0003682700000000 ] - [ 0.0002010700000000, -0.0000405500000000, 0.0008944100000000 ] - [ 0.0002731500000000, 0.0007235400000000, -0.0026968800000000 ] - [ 0.0006577000000000, 0.0000365000000000, 0.0000170600000000 ] - [ -0.0002651200000000, 0.0000865200000000, 0.0001967600000000 ] - [ 0.0001498200000000, 0.0000539900000000, 0.0001409800000000 ] - [ 0.0001400100000000, 0.0001283600000000, 0.0001906500000000 ] - [ 0.0004688300000000, -0.0001180800000000, 0.0002072600000000 ] - [ -0.0000090600000000, -0.0000479900000000, -0.0006861900000000 ] - [ -0.0000675600000000, -0.0001184500000000, -0.0000294600000000 ] - [ -0.0000417600000000, 0.0000922200000000, 0.0001574200000000 ] - [ -0.0002636000000000, 0.0000802300000000, 0.0002486500000000 ] - [ -0.0000413900000000, -0.0001444500000000, -0.0000650400000000 ] - [ 0.0000691600000000, -0.0002584100000000, 0.0003112800000000 ] - [ 0.0026235900000000, 0.0002742000000000, -0.0022437400000000 ] - [ 0.0001773600000000, 0.0002483000000000, 0.0005736200000000 ] - [ 0.0000781700000000, 0.0002492200000000, -0.0002204800000000 ] - [ 0.0008291500000000, -0.0002429000000000, -0.0002880700000000 ] - [ -0.0001031600000000, 0.0003159400000000, -0.0003349900000000 ] - [ -0.0000910800000000, -0.0002671600000000, -0.0001714900000000 ] - [ 0.0000276700000000, -0.0001526500000000, 0.0002458000000000 ] - [ -0.0002313600000000, -0.0001018500000000, 0.0001651500000000 ] - [ -0.0004682600000000, 0.0000649500000000, -0.0001399500000000 ] - [ -0.0002348700000000, 0.0000509300000000, -0.0005027600000000 ] - [ -0.0000061600000000, 0.0002077300000000, -0.0001562400000000 ] - [ -0.0002087300000000, -0.0005120200000000, 0.0001515500000000 ] - [ 0.0005025400000000, 0.0000180800000000, -0.0000989600000000 ] - [ -0.0001211000000000, 0.0003212600000000, 0.0000056200000000 ] - [ -0.0002242300000000, 0.0003327900000000, 0.0001693300000000 ] - [ -0.0001046300000000, -0.0003339000000000, -0.0000449100000000 ] - [ -0.0026480700000000, -0.0008346300000000, -0.0080891200000000 ] - [ 0.0036815900000000, -0.0007871500000000, -0.0015808800000000 ] - [ 0.0000790600000000, 0.0003125000000000, 0.0004625200000000 ] - [ -0.0004022200000000, -0.0001650300000000, -0.0000332300000000 ] - [ 0.0001171900000000, -0.0003652800000000, -0.0001176700000000 ] - [ -0.0002020200000000, 0.0003249400000000, 0.0002357000000000 ] - [ 0.0001741700000000, -0.0000746500000000, 0.0001924600000000 ] - [ -0.0001964200000000, 0.0001556200000000, -0.0002192100000000 ] - [ 0.0000227600000000, 0.0001611700000000, 0.0000048700000000 ]- atom: 4 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ 0.0001506700000000, 0.0002148800000000, 0.0002574700000000 ] - [ 0.0000265700000000, 0.0000535400000000, -0.0000055100000000 ] - [ 0.0002378400000000, -0.0000707100000000, -0.0000176800000000 ] - [ -0.0117882100000000, 0.0002523500000000, -0.0011066200000000 ] - [ 0.0002551100000000, 0.0000811200000000, 0.0005104200000000 ] - [ -0.0001819800000000, -0.0001267800000000, 0.0000276900000000 ] - [ -0.0002561500000000, 0.0000210600000000, 0.0000774400000000 ] - [ 0.0000279100000000, -0.0000254600000000, 0.0000023700000000 ] - [ 0.0002159900000000, 0.0002064500000000, 0.0001040600000000 ] - [ 0.0002391700000000, -0.0000737800000000, 0.0000332000000000 ] - [ 0.0002374200000000, 0.0000051800000000, -0.0001068600000000 ] - [ 0.0000234200000000, 0.0000416800000000, -0.0001192400000000 ] - [ -0.0001804400000000, -0.0000938800000000, -0.0001021700000000 ] - [ 0.0002526500000000, 0.0000573700000000, -0.0000169600000000 ] - [ -0.0000891700000000, -0.0000727100000000, 0.0000541900000000 ] - [ 0.0001527700000000, -0.0001848400000000, -0.0002554400000000 ] - [ -0.0000883200000000, 0.0000790300000000, 0.0000509100000000 ] - [ -0.0004381500000000, 0.0000778300000000, -0.0003648400000000 ] - [ 0.0001756800000000, -0.0000434100000000, -0.0001053800000000 ] - [ 0.0001898400000000, -0.0000431900000000, 0.0000900300000000 ] - [ -0.0001664700000000, 0.0001307500000000, -0.0000089200000000 ] - [ 0.0000840300000000, 0.0002380100000000, -0.0002657800000000 ] - [ 0.0010771100000000, -0.0000622600000000, 0.0007322300000000 ] - [ -0.0003628400000000, -0.0002602100000000, -0.0000726900000000 ] - [ 0.0002687400000000, -0.0007359100000000, -0.0001475700000000 ] - [ 0.0001489200000000, 0.0004061800000000, 0.0001267300000000 ] - [ 0.0002069600000000, -0.0001484200000000, -0.0000011000000000 ] - [ -0.0000529800000000, -0.0002604100000000, 0.0001179300000000 ] - [ 0.0004243900000000, 0.0007342600000000, -0.0001362500000000 ] - [ -0.0001422500000000, -0.0002579300000000, 0.0001066500000000 ] - [ 0.0002290900000000, 0.0002408300000000, -0.0001520300000000 ] - [ -0.0000110000000000, 0.0001357800000000, -0.0000963700000000 ] - [ -0.0001924100000000, 0.0000015100000000, 0.0000115200000000 ] - [ -0.0035348400000000, 0.0000697800000000, -0.0022203500000000 ] - [ -0.0004032500000000, 0.0010696800000000, -0.0000114800000000 ] - [ -0.0004664600000000, 0.0005520200000000, -0.0007667900000000 ] - [ 0.0006000400000000, -0.0004129700000000, 0.0001531600000000 ] - [ 0.0001894500000000, 0.0005131300000000, -0.0002561800000000 ] - [ -0.0001341000000000, -0.0002089500000000, -0.0003098600000000 ] - [ 0.0022173600000000, -0.0005364300000000, 0.0001762800000000 ] - [ -0.0000616100000000, 0.0000301000000000, 0.0000352900000000 ] - [ 0.0003936500000000, -0.0000314200000000, 0.0000629300000000 ] - [ 0.0002807000000000, -0.0001824100000000, 0.0001720100000000 ] - [ 0.0001405400000000, 0.0000634600000000, -0.0000384500000000 ] - [ 0.0001382400000000, 0.0005616200000000, 0.0002574000000000 ] - [ 0.0005072500000000, -0.0000895500000000, 0.0001714100000000 ] - [ 0.0005068300000000, -0.0000684800000000, 0.0000274500000000 ] - [ 0.0005597600000000, 0.0000330000000000, 0.0002138600000000 ] - [ 0.0006957700000000, -0.0006755600000000, 0.0020759800000000 ] - [ -0.0003878100000000, -0.0000733500000000, -0.0001451000000000 ] - [ 0.0000272700000000, 0.0001630800000000, 0.0002695900000000 ] - [ 0.0000243500000000, -0.0003482300000000, -0.0001917000000000 ] - [ 0.0002735600000000, 0.0000913500000000, -0.0001649500000000 ] - [ 0.0023795600000000, 0.0006495900000000, 0.0038669800000000 ] - [ 0.0012017300000000, 0.0003244900000000, -0.0012643800000000 ] - [ 0.0002337200000000, 0.0001683000000000, 0.0001553600000000 ] - [ 0.0004606200000000, -0.0001552700000000, 0.0000813400000000 ] - [ -0.0005403200000000, -0.0008772000000000, -0.0002391600000000 ] - [ -0.0001619000000000, 0.0000940400000000, -0.0001701100000000 ] - [ -0.0000159700000000, 0.0001559400000000, 0.0002100000000000 ] - [ -0.0000585500000000, 0.0001229200000000, -0.0000807100000000 ] - [ 0.0000273600000000, -0.0002029400000000, -0.0002111900000000 ] - [ 0.0001039300000000, -0.0003525000000000, 0.0005462700000000 ] - [ 0.0001843700000000, -0.0002726800000000, 0.0002191200000000 ] - [ 0.0000140200000000, 0.0000007200000000, 0.0002084100000000 ] - [ -0.0001122500000000, -0.0003889900000000, -0.0000119800000000 ] - [ -0.0000404100000000, -0.0002933900000000, -0.0003546800000000 ] - [ 0.0000314500000000, 0.0003257600000000, -0.0002356300000000 ] - [ -0.0005005200000000, -0.0002646100000000, -0.0001304400000000 ] - [ 0.0000325900000000, -0.0000633700000000, 0.0001463300000000 ] - [ -0.0000066700000000, -0.0002072900000000, 0.0002648400000000 ] - [ -0.0008912900000000, 0.0003669200000000, 0.0000807200000000 ] - [ 0.0001303200000000, 0.0002568000000000, -0.0001901200000000 ] - [ 0.0003359500000000, -0.0000659500000000, 0.0001098600000000 ] - [ 0.0070878300000000, -0.0009196300000000, -0.0022684000000000 ] - [ -0.0005508700000000, 0.0000346300000000, 0.0000225100000000 ] - [ 0.0000238700000000, 0.0003397400000000, -0.0000468800000000 ] - [ -0.0002338900000000, 0.0002911900000000, 0.0001788100000000 ] - [ -0.0005156100000000, -0.0004197400000000, 0.0004342600000000 ] - [ 0.0001168200000000, -0.0002505300000000, -0.0001018500000000 ] - [ -0.0000243600000000, -0.0000440400000000, 0.0001424100000000 ] - [ -0.0000657200000000, 0.0001810000000000, 0.0003015700000000 ] - [ -0.0004618100000000, -0.0001553600000000, -0.0000642400000000 ] - [ 0.0000791200000000, -0.0002022300000000, -0.0002884500000000 ] - [ -0.0003019300000000, 0.0003106300000000, 0.0000169400000000 ] - [ 0.0000013900000000, -0.0004066100000000, 0.0002811400000000 ] - [ -0.0001314100000000, 0.0003172100000000, -0.0000567600000000 ] - [ -0.0000717700000000, 0.0005646300000000, -0.0002838100000000 ]- atom: 4 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0003180400000000, 0.0002787600000000, 0.0003025100000000 ] - [ 0.0000986900000000, 0.0000794700000000, 0.0000337500000000 ] - [ 0.0002158000000000, -0.0000943400000000, -0.0000024700000000 ] - [ 0.0112954800000000, -0.0002421000000000, 0.0015070900000000 ] - [ -0.0003127800000000, -0.0000315000000000, -0.0002702800000000 ] - [ -0.0002882000000000, -0.0001610200000000, -0.0000408300000000 ] - [ -0.0001634000000000, -0.0000161300000000, 0.0001489600000000 ] - [ 0.0000970100000000, -0.0001063600000000, 0.0000248900000000 ] - [ -0.0006383400000000, 0.0002297000000000, 0.0001708200000000 ] - [ 0.0001966200000000, -0.0001352900000000, -0.0000141100000000 ] - [ 0.0001816100000000, 0.0000002600000000, -0.0001212300000000 ] - [ 0.0000310100000000, 0.0000102800000000, -0.0001260700000000 ] - [ -0.0002583000000000, -0.0001154100000000, 0.0000848300000000 ] - [ 0.0002008900000000, 0.0001052600000000, -0.0000016100000000 ] - [ 0.0000341500000000, 0.0000207100000000, 0.0001910600000000 ] - [ 0.0000107000000000, -0.0003084300000000, -0.0003060500000000 ] - [ -0.0003497000000000, 0.0001304000000000, -0.0000699000000000 ] - [ 0.0003141400000000, 0.0000532700000000, 0.0003374900000000 ] - [ 0.0002439200000000, 0.0000389900000000, -0.0001220500000000 ] - [ 0.0002452300000000, 0.0002536300000000, -0.0000729600000000 ] - [ -0.0002891600000000, 0.0000336200000000, 0.0000273800000000 ] - [ 0.0000781600000000, 0.0002550300000000, -0.0002908900000000 ] - [ -0.0015169400000000, -0.0000994900000000, -0.0007044300000000 ] - [ -0.0001078800000000, 0.0005519100000000, 0.0000569800000000 ] - [ 0.0001479400000000, 0.0002976800000000, -0.0001293700000000 ] - [ -0.0003135200000000, -0.0008958200000000, 0.0004274400000000 ] - [ 0.0002638800000000, -0.0001395600000000, 0.0000166800000000 ] - [ -0.0003688900000000, -0.0001767200000000, 0.0001605700000000 ] - [ 0.0000457800000000, -0.0004530700000000, 0.0001528700000000 ] - [ 0.0000178900000000, 0.0001242400000000, -0.0001339500000000 ] - [ 0.0001885500000000, 0.0001948800000000, -0.0001287900000000 ] - [ 0.0000656700000000, -0.0001852800000000, -0.0001480400000000 ] - [ 0.0002101500000000, 0.0000226700000000, -0.0000802000000000 ] - [ 0.0027045800000000, -0.0001253500000000, 0.0020872200000000 ] - [ -0.0004060100000000, -0.0010181700000000, -0.0001322100000000 ] - [ 0.0000181900000000, -0.0006407200000000, 0.0003304600000000 ] - [ -0.0001353500000000, 0.0000396300000000, 0.0003942700000000 ] - [ -0.0006512400000000, -0.0001434700000000, -0.0002935500000000 ] - [ -0.0003321600000000, -0.0001650700000000, -0.0002379000000000 ] - [ -0.0022523300000000, 0.0005106000000000, -0.0001084100000000 ] - [ 0.0000415800000000, -0.0000031700000000, 0.0000328500000000 ] - [ 0.0004203600000000, -0.0000255100000000, 0.0000774400000000 ] - [ 0.0001674600000000, 0.0002666700000000, 0.0002677600000000 ] - [ -0.0005917600000000, 0.0000209000000000, -0.0004027400000000 ] - [ 0.0003184500000000, -0.0001858300000000, 0.0002893900000000 ] - [ -0.0000614300000000, 0.0000024900000000, 0.0002742800000000 ] - [ -0.0004880700000000, 0.0000503400000000, -0.0001017700000000 ] - [ 0.0002533700000000, 0.0000242600000000, -0.0000771100000000 ] - [ -0.0007573400000000, 0.0006149100000000, -0.0024408600000000 ] - [ 0.0004054900000000, -0.0001880000000000, -0.0000011400000000 ] - [ 0.0003175400000000, 0.0001815300000000, 0.0003515200000000 ] - [ 0.0002666200000000, -0.0005117900000000, -0.0002239300000000 ] - [ 0.0002136200000000, 0.0000338700000000, -0.0002320400000000 ] - [ -0.0028643400000000, -0.0005320000000000, -0.0035225400000000 ] - [ -0.0012360300000000, -0.0000534600000000, 0.0016606900000000 ] - [ 0.0000494800000000, -0.0000104000000000, 0.0001486000000000 ] - [ 0.0004039800000000, -0.0001474600000000, 0.0000944100000000 ] - [ 0.0002069600000000, 0.0005193700000000, -0.0003868100000000 ] - [ -0.0001243200000000, 0.0000637900000000, -0.0001336500000000 ] - [ -0.0000059300000000, 0.0001073200000000, -0.0000647900000000 ] - [ 0.0000765700000000, 0.0001404100000000, -0.0000652000000000 ] - [ -0.0000804900000000, -0.0000584500000000, -0.0001377100000000 ] - [ 0.0000452400000000, -0.0001773900000000, 0.0001428200000000 ] - [ 0.0001003100000000, 0.0001132200000000, 0.0000836500000000 ] - [ 0.0000313800000000, 0.0000650600000000, 0.0001608600000000 ] - [ 0.0000927500000000, 0.0001229100000000, 0.0001565700000000 ] - [ -0.0001094400000000, -0.0002368000000000, -0.0003367700000000 ] - [ -0.0001812100000000, 0.0002052200000000, -0.0004541200000000 ] - [ 0.0002178500000000, 0.0001089600000000, -0.0001748700000000 ] - [ 0.0000188800000000, -0.0001966300000000, 0.0001993200000000 ] - [ -0.0004811900000000, 0.0000801100000000, 0.0001299500000000 ] - [ 0.0000292300000000, -0.0000663800000000, -0.0002585700000000 ] - [ -0.0001848300000000, 0.0000030300000000, -0.0001563700000000 ] - [ -0.0003804500000000, 0.0001297700000000, -0.0004790300000000 ] - [ -0.0071413800000000, 0.0000417400000000, 0.0025336400000000 ] - [ 0.0014095300000000, 0.0002881500000000, 0.0001590100000000 ] - [ 0.0000838700000000, 0.0002442300000000, -0.0000880900000000 ] - [ -0.0000584100000000, 0.0005707900000000, 0.0002362300000000 ] - [ 0.0004077300000000, -0.0001643800000000, -0.0003013300000000 ] - [ -0.0000080100000000, -0.0003338900000000, -0.0000363100000000 ] - [ 0.0000684000000000, -0.0000232800000000, 0.0002286400000000 ] - [ 0.0002151500000000, 0.0003496400000000, 0.0003902500000000 ] - [ -0.0004033200000000, -0.0001477200000000, -0.0001141900000000 ] - [ 0.0004097100000000, 0.0000783600000000, -0.0001109000000000 ] - [ 0.0001918200000000, 0.0002734600000000, 0.0001210700000000 ] - [ 0.0003459800000000, 0.0000631500000000, 0.0003397000000000 ] - [ -0.0002162200000000, 0.0000265500000000, -0.0005634000000000 ] - [ 0.0003610300000000, 0.0002945900000000, -0.0001343500000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000395400000000, 0.0002637000000000, 0.0003706600000000 ] - [ 0.0000474600000000, 0.0001290900000000, 0.0000599400000000 ] - [ 0.0002319900000000, 0.0000031800000000, -0.0000021100000000 ] - [ 0.0000271300000000, -0.0084562400000000, -0.0012725700000000 ] - [ -0.0000166800000000, -0.0000417200000000, 0.0001060800000000 ] - [ -0.0002366200000000, -0.0000585900000000, 0.0000158000000000 ] - [ -0.0002278700000000, 0.0000151000000000, 0.0001292800000000 ] - [ 0.0000695000000000, -0.0000746100000000, -0.0000179100000000 ] - [ -0.0002148500000000, 0.0002804100000000, 0.0001482700000000 ] - [ 0.0002314000000000, -0.0001045500000000, -0.0000153100000000 ] - [ 0.0002123600000000, 0.0000055000000000, -0.0000884300000000 ] - [ 0.0000037900000000, 0.0000533600000000, -0.0001504500000000 ] - [ -0.0002170000000000, -0.0001028000000000, 0.0000075600000000 ] - [ 0.0002288700000000, 0.0000798100000000, 0.0000069000000000 ] - [ -0.0000448700000000, -0.0000123600000000, 0.0001372500000000 ] - [ 0.0000880200000000, -0.0002625700000000, -0.0003173700000000 ] - [ -0.0001933000000000, 0.0001110300000000, -0.0000222100000000 ] - [ -0.0000860500000000, 0.0000143000000000, -0.0000245800000000 ] - [ 0.0002501800000000, -0.0000108100000000, -0.0001333600000000 ] - [ 0.0000259600000000, 0.0001621000000000, -0.0004695000000000 ] - [ -0.0002052400000000, 0.0000938400000000, 0.0000300000000000 ] - [ 0.0000953900000000, 0.0002429300000000, -0.0002774900000000 ] - [ -0.0001221800000000, -0.0003030700000000, 0.0000080400000000 ] - [ -0.0004972300000000, 0.0002821700000000, 0.0001213300000000 ] - [ -0.0001469600000000, -0.0000879100000000, 0.0001031500000000 ] - [ 0.0004252100000000, -0.0000753100000000, -0.0000445300000000 ] - [ 0.0002282300000000, -0.0001606500000000, 0.0000026900000000 ] - [ -0.0001728300000000, -0.0002098900000000, 0.0001897500000000 ] - [ 0.0007780300000000, 0.0002769800000000, -0.0002078300000000 ] - [ -0.0001917400000000, -0.0000625600000000, -0.0003156200000000 ] - [ 0.0002163600000000, 0.0002051300000000, -0.0001440700000000 ] - [ 0.0001524200000000, 0.0000777900000000, 0.0002686000000000 ] - [ 0.0001023400000000, 0.0000334200000000, -0.0000519300000000 ] - [ -0.0004973300000000, -0.0003887300000000, -0.0002937800000000 ] - [ -0.0003350200000000, -0.0003070000000000, 0.0003392800000000 ] - [ -0.0001158000000000, -0.0001949100000000, -0.0002051700000000 ] - [ 0.0002695200000000, -0.0001824300000000, 0.0002907500000000 ] - [ -0.0003711600000000, 0.0000331500000000, -0.0002259900000000 ] - [ -0.0002425100000000, -0.0001785100000000, -0.0002732100000000 ] - [ -0.0000806900000000, 0.0004982400000000, -0.0000458500000000 ] - [ 0.0000398100000000, -0.0000111400000000, 0.0000210300000000 ] - [ 0.0004381800000000, -0.0000579800000000, 0.0000547000000000 ] - [ 0.0000857800000000, -0.0000177100000000, 0.0001671600000000 ] - [ -0.0002982600000000, 0.0000810700000000, -0.0003181800000000 ] - [ 0.0010770300000000, 0.0005456400000000, 0.0015476000000000 ] - [ 0.0004858300000000, 0.0019017200000000, -0.0006852900000000 ] - [ 0.0003848000000000, 0.0019458400000000, -0.0005862300000000 ] - [ 0.0005300400000000, 0.0001153900000000, 0.0000933000000000 ] - [ -0.0002485000000000, 0.0002242400000000, -0.0005458000000000 ] - [ 0.0000007000000000, -0.0001045200000000, -0.0001642500000000 ] - [ 0.0001901100000000, 0.0001899500000000, 0.0003141600000000 ] - [ 0.0001327600000000, -0.0004084600000000, -0.0001725400000000 ] - [ 0.0002273200000000, 0.0000759600000000, -0.0001763100000000 ] - [ 0.0004254400000000, 0.0002957100000000, 0.0013654200000000 ] - [ -0.0002974800000000, -0.0006674500000000, 0.0002804600000000 ] - [ 0.0001210300000000, 0.0000889100000000, 0.0001081800000000 ] - [ 0.0004378500000000, -0.0001553100000000, 0.0000842200000000 ] - [ -0.0013446300000000, 0.0023179600000000, 0.0003998900000000 ] - [ -0.0001497300000000, 0.0000862400000000, -0.0001391600000000 ] - [ -0.0000165000000000, 0.0001371900000000, 0.0000339300000000 ] - [ 0.0000154900000000, 0.0001403700000000, -0.0000542900000000 ] - [ -0.0000128200000000, -0.0001487800000000, -0.0000673100000000 ] - [ 0.0000559800000000, -0.0002328900000000, 0.0003342600000000 ] - [ 0.0000239700000000, -0.0007548400000000, -0.0002217100000000 ] - [ 0.0000188900000000, 0.0000303000000000, 0.0001708400000000 ] - [ -0.0001708700000000, -0.0002567800000000, -0.0000777500000000 ] - [ -0.0000731800000000, -0.0006147200000000, -0.0004320900000000 ] - [ -0.0000139900000000, 0.0002899600000000, -0.0002362300000000 ] - [ -0.0000535000000000, -0.0000094600000000, -0.0001473100000000 ] - [ -0.0000155500000000, -0.0000781200000000, 0.0001164900000000 ] - [ -0.0002213000000000, -0.0000491900000000, 0.0000939100000000 ] - [ -0.0005928600000000, 0.0002165700000000, -0.0000480100000000 ] - [ -0.0000318000000000, -0.0004472600000000, -0.0001669200000000 ] - [ -0.0000348900000000, 0.0001548300000000, -0.0001170200000000 ] - [ -0.0006516300000000, -0.0001475200000000, 0.0005968100000000 ] - [ 0.0000859800000000, 0.0030982400000000, 0.0006745500000000 ] - [ 0.0000673600000000, 0.0003284700000000, -0.0000957400000000 ] - [ -0.0001296900000000, 0.0005869100000000, 0.0001528000000000 ] - [ 0.0000052200000000, -0.0002347200000000, 0.0000272000000000 ] - [ 0.0000974500000000, -0.0007362400000000, -0.0001159600000000 ] - [ -0.0000150200000000, -0.0000645000000000, 0.0001724500000000 ] - [ 0.0001148800000000, 0.0002541600000000, 0.0004089000000000 ] - [ -0.0004387300000000, -0.0001437600000000, -0.0000941200000000 ] - [ 0.0001840600000000, -0.0001065600000000, -0.0001874500000000 ] - [ 0.0000300500000000, 0.0002720400000000, 0.0000959000000000 ] - [ 0.0002652900000000, -0.0001302000000000, 0.0003704100000000 ] - [ -0.0001595500000000, 0.0001766300000000, -0.0003122900000000 ] - [ 0.0000004600000000, 0.0004377900000000, -0.0002586600000000 ]- atom: 4 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001273700000000, 0.0002312100000000, 0.0001887800000000 ] - [ 0.0000751900000000, 0.0000042300000000, -0.0000379700000000 ] - [ 0.0002236200000000, -0.0001662200000000, -0.0000155300000000 ] - [ -0.0004502100000000, 0.0083663400000000, 0.0015271200000000 ] - [ -0.0000379200000000, 0.0000931800000000, 0.0001377800000000 ] - [ -0.0002312600000000, -0.0002284500000000, -0.0000317500000000 ] - [ -0.0001935100000000, -0.0000120900000000, 0.0000982100000000 ] - [ 0.0000552000000000, -0.0000551100000000, 0.0000428700000000 ] - [ -0.0002042500000000, 0.0001565000000000, 0.0001282900000000 ] - [ 0.0002065000000000, -0.0001032900000000, 0.0000315600000000 ] - [ 0.0002096100000000, -0.0000014800000000, -0.0001408700000000 ] - [ 0.0000517000000000, -0.0000006800000000, -0.0000929800000000 ] - [ -0.0002207600000000, -0.0001051400000000, -0.0000262800000000 ] - [ 0.0002259200000000, 0.0000843900000000, -0.0000252300000000 ] - [ -0.0000105100000000, -0.0000389900000000, 0.0001064100000000 ] - [ 0.0000784100000000, -0.0002292700000000, -0.0002442900000000 ] - [ -0.0002443500000000, 0.0000969500000000, 0.0000038100000000 ] - [ -0.0000375100000000, 0.0001183300000000, -0.0000023700000000 ] - [ 0.0001705800000000, 0.0000095600000000, -0.0000944300000000 ] - [ 0.0004154500000000, 0.0000474500000000, 0.0004914100000000 ] - [ -0.0002483900000000, 0.0000710100000000, -0.0000129000000000 ] - [ 0.0000720800000000, 0.0002517100000000, -0.0002795900000000 ] - [ -0.0003355900000000, 0.0001403300000000, 0.0000069500000000 ] - [ 0.0000249100000000, 0.0000060900000000, -0.0001376800000000 ] - [ 0.0005685000000000, -0.0003454400000000, -0.0003831800000000 ] - [ -0.0005854800000000, -0.0004179100000000, 0.0005962900000000 ] - [ 0.0002416100000000, -0.0001275400000000, 0.0000137500000000 ] - [ -0.0002446300000000, -0.0002259100000000, 0.0000915800000000 ] - [ -0.0003137300000000, 0.0000129700000000, 0.0002267300000000 ] - [ 0.0000666800000000, -0.0000708400000000, 0.0002880200000000 ] - [ 0.0002031400000000, 0.0002321400000000, -0.0001352900000000 ] - [ -0.0000968400000000, -0.0001253500000000, -0.0005178200000000 ] - [ -0.0000821800000000, -0.0000091200000000, -0.0000179400000000 ] - [ -0.0003181900000000, 0.0003226100000000, 0.0001639900000000 ] - [ -0.0004770200000000, 0.0003542300000000, -0.0004815700000000 ] - [ -0.0003345600000000, 0.0001189700000000, -0.0002368200000000 ] - [ 0.0001957000000000, -0.0001802600000000, 0.0002613700000000 ] - [ -0.0000915200000000, 0.0003398600000000, -0.0003241100000000 ] - [ -0.0002198300000000, -0.0001899300000000, -0.0002807200000000 ] - [ 0.0000672700000000, -0.0005274000000000, 0.0001188900000000 ] - [ -0.0000584700000000, 0.0000396300000000, 0.0000523500000000 ] - [ 0.0003730400000000, -0.0000008200000000, 0.0000908500000000 ] - [ 0.0003661200000000, 0.0001051600000000, 0.0002716000000000 ] - [ -0.0001524400000000, 0.0000008300000000, -0.0001234200000000 ] - [ -0.0006042700000000, -0.0001745900000000, -0.0009849100000000 ] - [ -0.0000346300000000, -0.0019746500000000, 0.0011162200000000 ] - [ -0.0003682600000000, -0.0019800900000000, 0.0005178300000000 ] - [ 0.0002817400000000, -0.0000561900000000, 0.0000475900000000 ] - [ 0.0001929000000000, -0.0002774500000000, 0.0001541500000000 ] - [ 0.0000253200000000, -0.0001605900000000, 0.0000181800000000 ] - [ 0.0001557600000000, 0.0001540500000000, 0.0003073200000000 ] - [ 0.0001612600000000, -0.0004501900000000, -0.0002395400000000 ] - [ 0.0002583200000000, 0.0000511700000000, -0.0002190300000000 ] - [ -0.0008984500000000, -0.0001577700000000, -0.0009527300000000 ] - [ 0.0003554300000000, 0.0009263900000000, 0.0000634600000000 ] - [ 0.0001595400000000, 0.0000697200000000, 0.0001945800000000 ] - [ 0.0004260100000000, -0.0001418500000000, 0.0000898300000000 ] - [ 0.0009866500000000, -0.0025003200000000, -0.0010241500000000 ] - [ -0.0001324400000000, 0.0000741400000000, -0.0001637500000000 ] - [ -0.0000070300000000, 0.0001270400000000, 0.0001100800000000 ] - [ 0.0000063800000000, 0.0001250000000000, -0.0000920500000000 ] - [ -0.0000364400000000, -0.0001113400000000, -0.0002829400000000 ] - [ 0.0000942300000000, -0.0002978300000000, 0.0003523300000000 ] - [ 0.0002575500000000, 0.0006022200000000, 0.0005219700000000 ] - [ 0.0000292400000000, 0.0000313900000000, 0.0001961800000000 ] - [ 0.0001476400000000, -0.0000046200000000, 0.0002215500000000 ] - [ -0.0000740400000000, 0.0000851000000000, -0.0002519400000000 ] - [ -0.0001343800000000, 0.0002415400000000, -0.0004513300000000 ] - [ -0.0002288200000000, -0.0001488400000000, -0.0001563300000000 ] - [ 0.0000654700000000, -0.0001786300000000, 0.0002317700000000 ] - [ -0.0002634200000000, -0.0000732000000000, 0.0002983500000000 ] - [ -0.0002722300000000, 0.0000839300000000, -0.0001269100000000 ] - [ -0.0000141900000000, 0.0007100600000000, -0.0001854700000000 ] - [ -0.0000115100000000, -0.0000895000000000, -0.0002518000000000 ] - [ 0.0003390200000000, -0.0007037400000000, -0.0001777700000000 ] - [ 0.0007700000000000, -0.0029742600000000, -0.0004856400000000 ] - [ 0.0000353700000000, 0.0002557500000000, -0.0000390600000000 ] - [ -0.0001639400000000, 0.0002778800000000, 0.0002564400000000 ] - [ -0.0001102500000000, -0.0003497200000000, 0.0001064900000000 ] - [ 0.0000028600000000, 0.0001514600000000, -0.0000180000000000 ] - [ 0.0000622000000000, 0.0000029900000000, 0.0001957400000000 ] - [ 0.0000345400000000, 0.0002780600000000, 0.0002778300000000 ] - [ -0.0004239500000000, -0.0001531100000000, -0.0000830900000000 ] - [ 0.0003008800000000, -0.0000187600000000, -0.0002107900000000 ] - [ -0.0001321600000000, 0.0003138000000000, 0.0000401000000000 ] - [ 0.0000812800000000, -0.0002127100000000, 0.0002492900000000 ] - [ -0.0001874600000000, 0.0001644600000000, -0.0003117000000000 ] - [ 0.0002935600000000, 0.0004213300000000, -0.0001542100000000 ]- atom: 4 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ 0.0000624700000000, 0.0000954300000000, 0.0007873800000000 ] - [ 0.0000345200000000, 0.0000498900000000, -0.0000004300000000 ] - [ 0.0002579700000000, -0.0000502300000000, -0.0000178700000000 ] - [ -0.0010647700000000, -0.0014087700000000, -0.0200996800000000 ] - [ 0.0003604100000000, 0.0000155200000000, -0.0001385100000000 ] - [ -0.0000065500000000, -0.0000858600000000, 0.0004568900000000 ] - [ -0.0002413700000000, -0.0000153300000000, 0.0003795900000000 ] - [ 0.0000628000000000, -0.0000951800000000, 0.0000666900000000 ] - [ -0.0005087600000000, 0.0002412600000000, 0.0001905500000000 ] - [ 0.0002205500000000, -0.0002020300000000, -0.0000390600000000 ] - [ 0.0002159500000000, 0.0000274700000000, -0.0000977000000000 ] - [ 0.0000278400000000, 0.0001101700000000, -0.0001020400000000 ] - [ -0.0003132900000000, -0.0001080900000000, 0.0001446000000000 ] - [ 0.0001969100000000, 0.0001562400000000, 0.0000374500000000 ] - [ -0.0000732600000000, -0.0000141400000000, 0.0002476900000000 ] - [ 0.0000757000000000, -0.0002979300000000, -0.0002638700000000 ] - [ -0.0001857200000000, 0.0001198600000000, -0.0001264500000000 ] - [ -0.0004431000000000, -0.0000405200000000, 0.0004293500000000 ] - [ 0.0002205300000000, 0.0000210100000000, -0.0001259500000000 ] - [ 0.0003409100000000, -0.0003557400000000, 0.0002107100000000 ] - [ -0.0003035900000000, 0.0000045800000000, 0.0001870800000000 ] - [ 0.0001205000000000, 0.0002370200000000, -0.0002846200000000 ] - [ 0.0003278300000000, -0.0001082200000000, -0.0003895900000000 ] - [ -0.0002678000000000, 0.0003476000000000, -0.0000994100000000 ] - [ 0.0001711700000000, 0.0001973300000000, -0.0002331600000000 ] - [ -0.0002536300000000, -0.0007207700000000, 0.0001460600000000 ] - [ 0.0002247900000000, -0.0001525100000000, 0.0000134000000000 ] - [ -0.0001579100000000, -0.0001797500000000, 0.0001767900000000 ] - [ 0.0000840800000000, -0.0000752000000000, -0.0000781100000000 ] - [ 0.0001097300000000, -0.0006444100000000, 0.0000948100000000 ] - [ 0.0001947600000000, 0.0003193600000000, -0.0001268000000000 ] - [ 0.0000609600000000, 0.0005716000000000, -0.0001857600000000 ] - [ 0.0000607300000000, 0.0000870000000000, 0.0001318700000000 ] - [ -0.0024909500000000, -0.0008087900000000, 0.0031533800000000 ] - [ -0.0006340900000000, 0.0025330100000000, 0.0005216300000000 ] - [ -0.0000135100000000, -0.0002906500000000, -0.0000758000000000 ] - [ 0.0003267600000000, 0.0002912600000000, 0.0007961300000000 ] - [ -0.0002714300000000, 0.0000662500000000, -0.0003171300000000 ] - [ -0.0001667500000000, -0.0002185800000000, -0.0002561400000000 ] - [ -0.0008928100000000, 0.0001566400000000, 0.0004584100000000 ] - [ 0.0001858200000000, -0.0001340800000000, 0.0001087100000000 ] - [ 0.0004162300000000, -0.0000007100000000, 0.0001776300000000 ] - [ 0.0001509600000000, 0.0002508600000000, 0.0004781200000000 ] - [ -0.0003774800000000, 0.0000132100000000, -0.0001711200000000 ] - [ 0.0001258900000000, 0.0006901800000000, -0.0001163800000000 ] - [ 0.0003175000000000, 0.0003189300000000, -0.0000118400000000 ] - [ -0.0001175100000000, 0.0000628200000000, 0.0006002900000000 ] - [ 0.0004671200000000, -0.0000114000000000, -0.0001589300000000 ] - [ 0.0029972300000000, -0.0012054200000000, 0.0081449800000000 ] - [ -0.0000216600000000, -0.0001350000000000, 0.0001016800000000 ] - [ 0.0001997800000000, 0.0002293900000000, 0.0002599700000000 ] - [ 0.0001285200000000, -0.0004957000000000, -0.0002636800000000 ] - [ 0.0002728200000000, 0.0000680600000000, -0.0002918400000000 ] - [ 0.0038558300000000, 0.0009653900000000, 0.0069898000000000 ] - [ -0.0012088300000000, 0.0000015600000000, -0.0000624600000000 ] - [ 0.0000827600000000, -0.0001478600000000, -0.0000782900000000 ] - [ 0.0004277200000000, -0.0001736100000000, 0.0000045700000000 ] - [ 0.0000623600000000, -0.0000363800000000, -0.0002862200000000 ] - [ -0.0002063500000000, 0.0001543000000000, -0.0002065000000000 ] - [ 0.0003603700000000, 0.0000349000000000, -0.0003614500000000 ] - [ -0.0000074000000000, 0.0000734800000000, -0.0002110500000000 ] - [ -0.0000041000000000, -0.0003606300000000, -0.0003396500000000 ] - [ -0.0000256800000000, -0.0002055500000000, 0.0001798800000000 ] - [ 0.0002537100000000, -0.0004553700000000, 0.0003093100000000 ] - [ 0.0000164800000000, 0.0000045100000000, 0.0001018900000000 ] - [ -0.0002144900000000, -0.0002436300000000, 0.0002883900000000 ] - [ -0.0000480100000000, -0.0002843700000000, -0.0002129400000000 ] - [ -0.0000865300000000, 0.0003539900000000, -0.0005775500000000 ] - [ 0.0002136600000000, 0.0001387700000000, 0.0000124200000000 ] - [ -0.0000712400000000, 0.0000035700000000, -0.0000138400000000 ] - [ -0.0000583900000000, -0.0004867800000000, 0.0000221100000000 ] - [ -0.0002664300000000, 0.0000780300000000, -0.0001477800000000 ] - [ -0.0000714400000000, 0.0000489000000000, -0.0001458800000000 ] - [ 0.0001649600000000, 0.0003275600000000, -0.0006063300000000 ] - [ -0.0035313100000000, -0.0001462200000000, 0.0020353400000000 ] - [ 0.0004771900000000, 0.0003818800000000, -0.0007022500000000 ] - [ 0.0001149800000000, 0.0003871200000000, -0.0002824300000000 ] - [ -0.0003194100000000, -0.0001596300000000, -0.0002228500000000 ] - [ 0.0000525000000000, -0.0001762300000000, 0.0000538700000000 ] - [ -0.0000286900000000, -0.0003183400000000, 0.0000739700000000 ] - [ -0.0000190600000000, -0.0000550800000000, 0.0002909100000000 ] - [ 0.0000103300000000, 0.0004289000000000, 0.0003491900000000 ] - [ -0.0005471200000000, -0.0000878500000000, -0.0001603000000000 ] - [ 0.0001425100000000, -0.0000060800000000, -0.0000911400000000 ] - [ 0.0000382300000000, 0.0002963400000000, 0.0000968100000000 ] - [ 0.0001946300000000, -0.0000827700000000, 0.0003565300000000 ] - [ -0.0002087700000000, 0.0000200100000000, -0.0007528000000000 ] - [ 0.0002412600000000, 0.0003002700000000, -0.0001332600000000 ]- atom: 4 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0002308700000000, 0.0003987800000000, -0.0002300300000000 ] - [ 0.0000894800000000, 0.0000826200000000, 0.0000210300000000 ] - [ 0.0001957300000000, -0.0001139000000000, -0.0000009000000000 ] - [ 0.0005892000000000, 0.0014161700000000, 0.0204768800000000 ] - [ -0.0004174100000000, 0.0000347400000000, 0.0003810700000000 ] - [ -0.0004610300000000, -0.0002018100000000, -0.0004747000000000 ] - [ -0.0001802100000000, 0.0000174600000000, -0.0001537000000000 ] - [ 0.0000612100000000, -0.0000355000000000, -0.0000458900000000 ] - [ 0.0000908200000000, 0.0001944500000000, 0.0000840100000000 ] - [ 0.0002180800000000, -0.0000044600000000, 0.0000549800000000 ] - [ 0.0002057900000000, -0.0000244600000000, -0.0001327500000000 ] - [ 0.0000289000000000, -0.0000575000000000, -0.0001440900000000 ] - [ -0.0001256000000000, -0.0000996700000000, -0.0001636000000000 ] - [ 0.0002571900000000, 0.0000065900000000, -0.0000560500000000 ] - [ 0.0000169200000000, -0.0000380000000000, -0.0000053400000000 ] - [ 0.0000910100000000, -0.0001955100000000, -0.0002991500000000 ] - [ -0.0002528700000000, 0.0000875100000000, 0.0001073200000000 ] - [ 0.0003172400000000, 0.0001713000000000, -0.0004495000000000 ] - [ 0.0002014200000000, -0.0000228500000000, -0.0001039600000000 ] - [ 0.0000992200000000, 0.0005614000000000, -0.0001940300000000 ] - [ -0.0001498400000000, 0.0001597200000000, -0.0001723400000000 ] - [ 0.0000445500000000, 0.0002570000000000, -0.0002731700000000 ] - [ -0.0007819300000000, -0.0000544100000000, 0.0004028500000000 ] - [ -0.0002026900000000, -0.0000580600000000, 0.0000799900000000 ] - [ 0.0002460000000000, -0.0006335900000000, -0.0000447700000000 ] - [ 0.0000879500000000, 0.0002278000000000, 0.0004093500000000 ] - [ 0.0002452600000000, -0.0001359600000000, 0.0000027300000000 ] - [ -0.0002608100000000, -0.0002564600000000, 0.0001015600000000 ] - [ 0.0003863600000000, 0.0003628200000000, 0.0000926200000000 ] - [ -0.0002345900000000, 0.0005148200000000, -0.0001205100000000 ] - [ 0.0002239700000000, 0.0001169800000000, -0.0001552900000000 ] - [ -0.0000044200000000, -0.0006238000000000, -0.0000605200000000 ] - [ -0.0000439200000000, -0.0000603900000000, -0.0002086100000000 ] - [ 0.0016977800000000, 0.0007526200000000, -0.0033366200000000 ] - [ -0.0001776200000000, -0.0024725100000000, -0.0006573300000000 ] - [ -0.0004383800000000, 0.0002098500000000, -0.0003628900000000 ] - [ 0.0001353900000000, -0.0006588800000000, -0.0002444900000000 ] - [ -0.0001931400000000, 0.0003043400000000, -0.0002306700000000 ] - [ -0.0002955800000000, -0.0001507200000000, -0.0002986500000000 ] - [ 0.0008757400000000, -0.0001812800000000, -0.0003814600000000 ] - [ -0.0002025100000000, 0.0001577200000000, -0.0000416900000000 ] - [ 0.0003950400000000, -0.0000617700000000, -0.0000336500000000 ] - [ 0.0003019700000000, -0.0001692800000000, -0.0000428400000000 ] - [ -0.0000749900000000, 0.0000727700000000, -0.0002656500000000 ] - [ 0.0003361000000000, -0.0003173600000000, 0.0006599000000000 ] - [ 0.0001298500000000, -0.0004009900000000, 0.0004594800000000 ] - [ 0.0001369800000000, -0.0000884200000000, -0.0006782200000000 ] - [ 0.0003493700000000, 0.0000627500000000, 0.0002909000000000 ] - [ -0.0029294500000000, 0.0011582000000000, -0.0081904800000000 ] - [ 0.0000458300000000, -0.0001285700000000, -0.0002510300000000 ] - [ 0.0001464500000000, 0.0001140600000000, 0.0003607900000000 ] - [ 0.0001656300000000, -0.0003643000000000, -0.0001490200000000 ] - [ 0.0002120900000000, 0.0000578700000000, -0.0001042600000000 ] - [ -0.0044839100000000, -0.0008802400000000, -0.0068567400000000 ] - [ 0.0012414900000000, 0.0002597800000000, 0.0003980300000000 ] - [ 0.0001987400000000, 0.0003065300000000, 0.0003830100000000 ] - [ 0.0004363300000000, -0.0001263300000000, 0.0001678800000000 ] - [ -0.0004049700000000, -0.0003208000000000, -0.0003438400000000 ] - [ -0.0000770100000000, 0.0000036200000000, -0.0000996100000000 ] - [ -0.0003862600000000, 0.0002298200000000, 0.0005062400000000 ] - [ 0.0000278800000000, 0.0001907200000000, 0.0000636500000000 ] - [ -0.0000461000000000, 0.0001010200000000, -0.0000118000000000 ] - [ 0.0001748300000000, -0.0003254300000000, 0.0005040700000000 ] - [ 0.0000290200000000, 0.0002965000000000, -0.0000068300000000 ] - [ 0.0000314600000000, 0.0000576300000000, 0.0002649000000000 ] - [ 0.0001932300000000, -0.0000209200000000, -0.0001430300000000 ] - [ -0.0001007700000000, -0.0002463800000000, -0.0004754500000000 ] - [ -0.0000625000000000, 0.0001779000000000, -0.0001111900000000 ] - [ -0.0004927900000000, -0.0002954000000000, -0.0003196300000000 ] - [ 0.0001221100000000, -0.0002619200000000, 0.0003607400000000 ] - [ -0.0004252400000000, 0.0003591100000000, 0.0003694000000000 ] - [ -0.0005973500000000, 0.0002209900000000, -0.0000289000000000 ] - [ 0.0000209400000000, 0.0002098300000000, -0.0002041500000000 ] - [ -0.0002130100000000, -0.0002660400000000, 0.0002364200000000 ] - [ 0.0033165700000000, -0.0007200500000000, -0.0016453700000000 ] - [ 0.0003850800000000, -0.0000605200000000, 0.0008814300000000 ] - [ -0.0000121000000000, 0.0001969100000000, 0.0001473700000000 ] - [ 0.0000259200000000, 0.0010220300000000, 0.0006327400000000 ] - [ -0.0001553000000000, -0.0004085800000000, 0.0000791700000000 ] - [ 0.0001311500000000, -0.0002659300000000, -0.0002121700000000 ] - [ 0.0000656200000000, -0.0000058700000000, 0.0000761800000000 ] - [ 0.0001390700000000, 0.0001018100000000, 0.0003351700000000 ] - [ -0.0003158900000000, -0.0002119600000000, -0.0000175500000000 ] - [ 0.0003407700000000, -0.0001197700000000, -0.0003077100000000 ] - [ -0.0001405000000000, 0.0002884000000000, 0.0000373900000000 ] - [ 0.0001538500000000, -0.0002602500000000, 0.0002631900000000 ] - [ -0.0001394400000000, 0.0003239600000000, 0.0001299400000000 ] - [ 0.0000524400000000, 0.0005599300000000, -0.0002805300000000 ]- atom: 5 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ -0.0000385100000000, 0.0002582200000000, 0.0001992400000000 ] - [ 0.0001016600000000, 0.0001005900000000, -0.0000214200000000 ] - [ 0.0002332600000000, -0.0000070300000000, -0.0000014300000000 ] - [ 0.0000738000000000, 0.0000091400000000, 0.0005229800000000 ] - [ -0.0087055700000000, 0.0000770800000000, -0.0012087500000000 ] - [ -0.0005852000000000, -0.0001676700000000, -0.0004189000000000 ] - [ -0.0002729900000000, 0.0000182100000000, 0.0000639100000000 ] - [ -0.0000061800000000, -0.0000248700000000, -0.0000286100000000 ] - [ 0.0011915600000000, 0.0002724400000000, 0.0007103500000000 ] - [ 0.0002259000000000, -0.0000474600000000, 0.0000367300000000 ] - [ 0.0001745400000000, 0.0001234400000000, -0.0000826100000000 ] - [ 0.0000048300000000, 0.0000256000000000, -0.0001457600000000 ] - [ 0.0000231400000000, -0.0000793500000000, -0.0000015000000000 ] - [ 0.0003076900000000, 0.0000076600000000, 0.0000276200000000 ] - [ -0.0000728500000000, -0.0000458100000000, 0.0001118100000000 ] - [ 0.0001235700000000, -0.0002190400000000, -0.0003359800000000 ] - [ -0.0001782500000000, -0.0002009100000000, -0.0000724600000000 ] - [ -0.0000230100000000, 0.0000406600000000, 0.0000688700000000 ] - [ 0.0002084200000000, 0.0000228200000000, -0.0001153500000000 ] - [ 0.0003027400000000, 0.0000993500000000, -0.0000184800000000 ] - [ -0.0000758200000000, 0.0001419100000000, 0.0000160900000000 ] - [ 0.0001033300000000, 0.0002346400000000, -0.0002758100000000 ] - [ 0.0001811200000000, -0.0001374200000000, 0.0000111200000000 ] - [ -0.0002729100000000, 0.0002975800000000, -0.0000228100000000 ] - [ 0.0003309200000000, -0.0003000900000000, -0.0000647100000000 ] - [ 0.0000375000000000, -0.0001714100000000, 0.0003183200000000 ] - [ 0.0002053600000000, -0.0001811100000000, 0.0000144300000000 ] - [ -0.0001775000000000, -0.0002527300000000, 0.0001493800000000 ] - [ 0.0001502400000000, -0.0001891800000000, 0.0001828500000000 ] - [ -0.0000625300000000, 0.0005180700000000, -0.0001641400000000 ] - [ 0.0002467700000000, 0.0002108900000000, -0.0001281600000000 ] - [ -0.0000698900000000, -0.0003821700000000, -0.0000954100000000 ] - [ -0.0001494100000000, -0.0000150100000000, -0.0001249800000000 ] - [ 0.0016417000000000, 0.0011109100000000, -0.0001685200000000 ] - [ -0.0004162800000000, 0.0000379800000000, -0.0000743500000000 ] - [ 0.0000627100000000, -0.0000232800000000, -0.0002891800000000 ] - [ -0.0000032700000000, -0.0006697300000000, -0.0001909800000000 ] - [ 0.0000056100000000, 0.0018694800000000, -0.0006378800000000 ] - [ -0.0001891400000000, -0.0003418700000000, -0.0003444700000000 ] - [ -0.0027092800000000, -0.0005101700000000, -0.0012315900000000 ] - [ -0.0003238500000000, -0.0009926100000000, 0.0001137100000000 ] - [ 0.0003570900000000, 0.0000237100000000, 0.0001267400000000 ] - [ 0.0002993500000000, -0.0001127200000000, 0.0001368900000000 ] - [ -0.0004235500000000, -0.0005572100000000, -0.0004335000000000 ] - [ 0.0004501100000000, 0.0001828300000000, 0.0003194200000000 ] - [ 0.0002520200000000, 0.0000700300000000, 0.0000823200000000 ] - [ -0.0001397200000000, -0.0001732300000000, -0.0000016900000000 ] - [ 0.0000321800000000, 0.0007372000000000, 0.0004290400000000 ] - [ -0.0000324400000000, -0.0000367500000000, -0.0001706700000000 ] - [ -0.0002531700000000, -0.0004574100000000, -0.0000271300000000 ] - [ 0.0002091100000000, 0.0002348500000000, 0.0004171900000000 ] - [ 0.0001331400000000, -0.0004693200000000, -0.0002188100000000 ] - [ 0.0002628500000000, 0.0000781400000000, -0.0001486800000000 ] - [ 0.0008900100000000, -0.0011897900000000, -0.0008579900000000 ] - [ 0.0021651900000000, 0.0002281900000000, 0.0022756000000000 ] - [ 0.0001762200000000, 0.0002235200000000, 0.0002862900000000 ] - [ 0.0004737000000000, -0.0001201500000000, 0.0001096800000000 ] - [ -0.0002667900000000, -0.0002050000000000, -0.0003194200000000 ] - [ -0.0001405700000000, 0.0002686000000000, -0.0001325300000000 ] - [ -0.0004784300000000, 0.0002543200000000, 0.0004954200000000 ] - [ -0.0001100200000000, 0.0001559600000000, -0.0001114300000000 ] - [ 0.0000957200000000, -0.0000446000000000, -0.0000969000000000 ] - [ 0.0002211500000000, -0.0003133500000000, 0.0003462400000000 ] - [ 0.0000933600000000, -0.0000373000000000, 0.0001377200000000 ] - [ 0.0000631600000000, 0.0000342200000000, 0.0001969300000000 ] - [ -0.0001726400000000, -0.0001201500000000, 0.0000562300000000 ] - [ 0.0000673800000000, -0.0002580900000000, -0.0003662300000000 ] - [ -0.0000468300000000, 0.0002938500000000, -0.0003220800000000 ] - [ 0.0033511500000000, -0.0008059600000000, -0.0009322800000000 ] - [ 0.0003053100000000, -0.0000217700000000, 0.0002491900000000 ] - [ -0.0002714900000000, -0.0001320200000000, 0.0001485200000000 ] - [ -0.0001491600000000, 0.0001915900000000, -0.0000483900000000 ] - [ 0.0000721300000000, 0.0001549100000000, -0.0001145600000000 ] - [ -0.0002975600000000, -0.0002044800000000, -0.0000004000000000 ] - [ -0.0007547400000000, -0.0004749600000000, 0.0001476500000000 ] - [ 0.0004248700000000, 0.0002810400000000, 0.0000459500000000 ] - [ 0.0000119200000000, 0.0003372000000000, -0.0000119500000000 ] - [ -0.0001890300000000, 0.0004255700000000, 0.0002308500000000 ] - [ -0.0000188700000000, -0.0002761400000000, 0.0002376200000000 ] - [ -0.0000286400000000, -0.0003271700000000, -0.0000958600000000 ] - [ 0.0002073200000000, -0.0001577800000000, 0.0000502300000000 ] - [ 0.0003310200000000, 0.0014337500000000, 0.0005001000000000 ] - [ 0.0004312200000000, 0.0005996800000000, 0.0014652600000000 ] - [ 0.0009026000000000, -0.0010706200000000, -0.0003377800000000 ] - [ -0.0001350600000000, 0.0006326600000000, -0.0000028500000000 ] - [ 0.0001989300000000, -0.0002576000000000, 0.0004131300000000 ] - [ -0.0002051900000000, 0.0002859800000000, -0.0001277300000000 ] - [ 0.0000317500000000, 0.0001779900000000, -0.0003085200000000 ]- atom: 5 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0001263600000000, 0.0002348000000000, 0.0003616000000000 ] - [ 0.0000205500000000, 0.0000319600000000, 0.0000431800000000 ] - [ 0.0002210800000000, -0.0001573700000000, -0.0000164200000000 ] - [ -0.0004930100000000, -0.0000122800000000, -0.0002902500000000 ] - [ 0.0087081300000000, -0.0000153800000000, 0.0014165100000000 ] - [ 0.0001109200000000, -0.0001203900000000, 0.0004009800000000 ] - [ -0.0001486800000000, -0.0000151900000000, 0.0001627900000000 ] - [ 0.0001295400000000, -0.0001062900000000, 0.0000512200000000 ] - [ -0.0016254500000000, 0.0001624400000000, -0.0004431300000000 ] - [ 0.0002122800000000, -0.0001591900000000, -0.0000193700000000 ] - [ 0.0002474900000000, -0.0001196300000000, -0.0001447600000000 ] - [ 0.0000514000000000, 0.0000264400000000, -0.0000986000000000 ] - [ -0.0004612300000000, -0.0001284300000000, -0.0000147100000000 ] - [ 0.0001466300000000, 0.0001547900000000, -0.0000453200000000 ] - [ 0.0000158000000000, -0.0000065600000000, 0.0001317600000000 ] - [ 0.0000416900000000, -0.0002743700000000, -0.0002257500000000 ] - [ -0.0002598100000000, 0.0004098300000000, 0.0000553700000000 ] - [ -0.0001021100000000, 0.0000910700000000, -0.0000943600000000 ] - [ 0.0002122300000000, -0.0000257500000000, -0.0001129500000000 ] - [ 0.0001359800000000, 0.0001089500000000, 0.0000352500000000 ] - [ -0.0003775400000000, 0.0000223500000000, 0.0000004700000000 ] - [ 0.0000616800000000, 0.0002591200000000, -0.0002805100000000 ] - [ -0.0006342700000000, -0.0000253000000000, 0.0000058200000000 ] - [ -0.0001983800000000, -0.0000098200000000, 0.0000052700000000 ] - [ 0.0000866800000000, -0.0001363300000000, -0.0002108000000000 ] - [ -0.0002021100000000, -0.0003215700000000, 0.0002380600000000 ] - [ 0.0002645300000000, -0.0001078800000000, 0.0000029900000000 ] - [ -0.0002420700000000, -0.0001838600000000, 0.0001290600000000 ] - [ 0.0003192800000000, 0.0004774000000000, -0.0001687200000000 ] - [ -0.0000622100000000, -0.0006457600000000, 0.0001394900000000 ] - [ 0.0001732600000000, 0.0002258500000000, -0.0001499500000000 ] - [ 0.0001252500000000, 0.0003282700000000, -0.0001487300000000 ] - [ 0.0001667600000000, 0.0000408600000000, 0.0000513300000000 ] - [ -0.0024428300000000, -0.0011656400000000, 0.0000274800000000 ] - [ -0.0003982400000000, 0.0000210000000000, -0.0000678900000000 ] - [ -0.0005123600000000, -0.0000620000000000, -0.0001501000000000 ] - [ 0.0004698700000000, 0.0002987200000000, 0.0007372900000000 ] - [ -0.0004751600000000, -0.0015078300000000, 0.0000880200000000 ] - [ -0.0002737700000000, -0.0000311900000000, -0.0002052200000000 ] - [ 0.0027042300000000, 0.0004879600000000, 0.0012959900000000 ] - [ 0.0003021000000000, 0.0010119800000000, -0.0000425700000000 ] - [ 0.0004549600000000, -0.0000820300000000, 0.0000157500000000 ] - [ 0.0001497500000000, 0.0001921000000000, 0.0003017000000000 ] - [ -0.0000159100000000, 0.0006384100000000, -0.0000019200000000 ] - [ 0.0000150800000000, 0.0001876200000000, 0.0002313600000000 ] - [ 0.0001978500000000, -0.0001514700000000, 0.0003565800000000 ] - [ 0.0001552000000000, 0.0001468900000000, -0.0000678600000000 ] - [ 0.0007915200000000, -0.0006793800000000, -0.0002884200000000 ] - [ -0.0000146100000000, -0.0000256200000000, -0.0001981900000000 ] - [ 0.0002754200000000, 0.0001937400000000, -0.0001194000000000 ] - [ 0.0001340600000000, 0.0001089300000000, 0.0002032200000000 ] - [ 0.0001600600000000, -0.0003904800000000, -0.0001936900000000 ] - [ 0.0002221900000000, 0.0000478100000000, -0.0002461600000000 ] - [ -0.0012933300000000, 0.0013070500000000, 0.0012131300000000 ] - [ -0.0021115800000000, 0.0000377900000000, -0.0018841100000000 ] - [ 0.0001051200000000, -0.0000645700000000, 0.0000194200000000 ] - [ 0.0003902900000000, -0.0001802700000000, 0.0000648900000000 ] - [ -0.0000800400000000, -0.0001379700000000, -0.0003031100000000 ] - [ -0.0001430900000000, -0.0001087000000000, -0.0001715800000000 ] - [ 0.0004516200000000, 0.0000101600000000, -0.0003464300000000 ] - [ 0.0001289400000000, 0.0001079500000000, -0.0000339900000000 ] - [ -0.0001455600000000, -0.0002142500000000, -0.0002517700000000 ] - [ -0.0000729200000000, -0.0002173700000000, 0.0003397300000000 ] - [ 0.0001894600000000, -0.0001200200000000, 0.0001654600000000 ] - [ -0.0000156300000000, 0.0000286400000000, 0.0001711400000000 ] - [ 0.0001517500000000, -0.0001441000000000, 0.0000891300000000 ] - [ -0.0002146800000000, -0.0002727600000000, -0.0003212200000000 ] - [ -0.0001018000000000, 0.0002371100000000, -0.0003649400000000 ] - [ -0.0037516100000000, 0.0006545000000000, 0.0007082600000000 ] - [ -0.0002545400000000, -0.0002386800000000, 0.0000994400000000 ] - [ -0.0002127700000000, 0.0000067100000000, 0.0002466500000000 ] - [ -0.0007155000000000, 0.0001071300000000, -0.0001269700000000 ] - [ -0.0001216000000000, 0.0001050700000000, -0.0002336800000000 ] - [ 0.0002487900000000, 0.0002649000000000, -0.0003671800000000 ] - [ 0.0004590200000000, -0.0003852100000000, 0.0002655400000000 ] - [ 0.0004385200000000, 0.0000200500000000, 0.0001303000000000 ] - [ 0.0000917400000000, 0.0002478900000000, -0.0001217800000000 ] - [ -0.0001051100000000, 0.0004340400000000, 0.0001805000000000 ] - [ -0.0000854700000000, -0.0003084400000000, -0.0001038900000000 ] - [ 0.0001324900000000, -0.0002575100000000, -0.0000404200000000 ] - [ -0.0001643500000000, 0.0000949300000000, 0.0003200400000000 ] - [ -0.0001928300000000, -0.0009269000000000, 0.0001846300000000 ] - [ -0.0012896000000000, -0.0008998300000000, -0.0016599400000000 ] - [ -0.0004293000000000, 0.0009641200000000, -0.0000603100000000 ] - [ 0.0000310100000000, -0.0000519800000000, 0.0001398900000000 ] - [ 0.0001487200000000, -0.0000846000000000, 0.0002076300000000 ] - [ -0.0001435600000000, 0.0000578500000000, -0.0004926800000000 ] - [ 0.0002600800000000, 0.0006850200000000, -0.0001045800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000875600000000, 0.0002413600000000, 0.0002873400000000 ] - [ -0.0000037100000000, 0.0011382200000000, 0.0000092000000000 ] - [ 0.0003093400000000, -0.0000900100000000, -0.0000691500000000 ] - [ -0.0001539900000000, -0.0000705900000000, 0.0001071200000000 ] - [ -0.0000131400000000, -0.0181953300000000, -0.0015320800000000 ] - [ -0.0002521500000000, -0.0002396900000000, 0.0000868400000000 ] - [ -0.0001636100000000, 0.0000136800000000, 0.0001042900000000 ] - [ 0.0000716900000000, -0.0000701100000000, 0.0000049100000000 ] - [ -0.0001875100000000, -0.0001530900000000, 0.0001777800000000 ] - [ 0.0002192200000000, -0.0001172900000000, 0.0000069400000000 ] - [ 0.0003747000000000, 0.0001020900000000, 0.0004917000000000 ] - [ 0.0000277500000000, 0.0000179100000000, -0.0001499200000000 ] - [ -0.0002653500000000, -0.0000882500000000, -0.0000709100000000 ] - [ 0.0002362400000000, 0.0000991500000000, 0.0000880600000000 ] - [ -0.0000081700000000, -0.0000151200000000, 0.0000879000000000 ] - [ 0.0000827100000000, -0.0002280200000000, -0.0003298900000000 ] - [ -0.0007352400000000, 0.0003537700000000, 0.0003781900000000 ] - [ -0.0000002400000000, 0.0001089100000000, 0.0000556100000000 ] - [ 0.0001937200000000, 0.0000245000000000, -0.0001989500000000 ] - [ 0.0002704600000000, 0.0001060100000000, -0.0000447900000000 ] - [ -0.0003015500000000, 0.0000585000000000, -0.0000965000000000 ] - [ 0.0000580600000000, 0.0004874900000000, -0.0001916200000000 ] - [ -0.0001808900000000, -0.0000889300000000, -0.0000218400000000 ] - [ -0.0001038000000000, 0.0001586000000000, 0.0002948700000000 ] - [ 0.0002988000000000, -0.0002171600000000, -0.0001612600000000 ] - [ -0.0001742700000000, -0.0002552800000000, 0.0003338600000000 ] - [ 0.0002980000000000, -0.0000949100000000, -0.0000200000000000 ] - [ -0.0002496700000000, -0.0002264400000000, 0.0001063100000000 ] - [ -0.0001459900000000, 0.0003265900000000, -0.0007738300000000 ] - [ 0.0005688700000000, 0.0001204400000000, -0.0003290400000000 ] - [ 0.0001939200000000, 0.0002222100000000, -0.0001521200000000 ] - [ -0.0003264100000000, 0.0000413800000000, 0.0000084900000000 ] - [ -0.0000718200000000, 0.0000853700000000, -0.0000416400000000 ] - [ -0.0006260200000000, 0.0002410900000000, -0.0000084900000000 ] - [ -0.0004380100000000, -0.0000150500000000, -0.0000822200000000 ] - [ -0.0002718100000000, -0.0002701000000000, -0.0002311000000000 ] - [ 0.0002141200000000, -0.0001653000000000, 0.0003222700000000 ] - [ -0.0000101100000000, -0.0004170900000000, -0.0008226600000000 ] - [ -0.0004791500000000, -0.0003996700000000, -0.0004599600000000 ] - [ -0.0004792600000000, -0.0000904700000000, 0.0003060700000000 ] - [ -0.0001674300000000, -0.0006741700000000, -0.0007810500000000 ] - [ 0.0004951900000000, 0.0000724500000000, 0.0000297000000000 ] - [ 0.0002397700000000, -0.0000088600000000, 0.0002507500000000 ] - [ -0.0019152400000000, 0.0008308800000000, -0.0028245800000000 ] - [ 0.0003023100000000, 0.0002160400000000, 0.0004005900000000 ] - [ 0.0003252900000000, -0.0000109100000000, 0.0002385900000000 ] - [ -0.0000769300000000, 0.0001191500000000, -0.0000690600000000 ] - [ 0.0032388300000000, 0.0007787200000000, -0.0009387400000000 ] - [ -0.0000582900000000, -0.0000156400000000, -0.0001680900000000 ] - [ -0.0001571800000000, 0.0001018000000000, 0.0001598800000000 ] - [ 0.0004417200000000, 0.0000603000000000, 0.0008653500000000 ] - [ 0.0001777000000000, -0.0004746900000000, -0.0000534800000000 ] - [ 0.0002201700000000, 0.0000160900000000, -0.0001690000000000 ] - [ -0.0006023200000000, -0.0003090100000000, 0.0004300800000000 ] - [ 0.0004943900000000, 0.0005800700000000, 0.0008025000000000 ] - [ 0.0001562400000000, 0.0000263000000000, 0.0000913500000000 ] - [ 0.0004692300000000, -0.0001840200000000, 0.0000804200000000 ] - [ -0.0001472600000000, -0.0002410700000000, -0.0003636800000000 ] - [ -0.0000943100000000, 0.0002881300000000, 0.0001032400000000 ] - [ -0.0000247800000000, 0.0002150200000000, 0.0000457300000000 ] - [ 0.0000603300000000, 0.0000657900000000, -0.0000261900000000 ] - [ 0.0000489300000000, -0.0001613100000000, -0.0001549500000000 ] - [ 0.0001183100000000, -0.0002219600000000, 0.0003459700000000 ] - [ 0.0001697900000000, -0.0001168400000000, 0.0001316100000000 ] - [ -0.0000042800000000, 0.0000294100000000, 0.0001778200000000 ] - [ -0.0001069600000000, -0.0001446500000000, 0.0000564400000000 ] - [ -0.0002027100000000, -0.0005633800000000, -0.0003325900000000 ] - [ -0.0001006900000000, 0.0003071000000000, -0.0003765100000000 ] - [ -0.0005731000000000, 0.0004973700000000, 0.0003250000000000 ] - [ -0.0000348100000000, 0.0000096100000000, 0.0004224900000000 ] - [ -0.0002383600000000, -0.0000648900000000, 0.0002573100000000 ] - [ -0.0003756100000000, 0.0002200600000000, -0.0002319100000000 ] - [ 0.0000053100000000, -0.0001253200000000, -0.0001057900000000 ] - [ 0.0001261400000000, 0.0001644900000000, -0.0002468000000000 ] - [ -0.0001074700000000, -0.0003648300000000, 0.0001925200000000 ] - [ 0.0005309700000000, 0.0000436200000000, 0.0001307000000000 ] - [ 0.0000792900000000, 0.0002986700000000, -0.0000733900000000 ] - [ -0.0001312300000000, 0.0004441600000000, 0.0002051200000000 ] - [ 0.0000145000000000, -0.0002299900000000, 0.0000971900000000 ] - [ 0.0000460800000000, -0.0003310600000000, -0.0000776500000000 ] - [ -0.0004104300000000, -0.0007746300000000, 0.0005689100000000 ] - [ 0.0015876200000000, 0.0086751700000000, 0.0018687400000000 ] - [ 0.0001730400000000, 0.0005422200000000, 0.0010472000000000 ] - [ -0.0016617000000000, 0.0072362800000000, -0.0000523800000000 ] - [ 0.0004109100000000, 0.0002113400000000, 0.0003214800000000 ] - [ 0.0001545200000000, 0.0000147100000000, 0.0005107100000000 ] - [ -0.0001666400000000, 0.0001976400000000, -0.0003216000000000 ] - [ -0.0004170100000000, 0.0003152200000000, -0.0002597200000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000734300000000, 0.0002521500000000, 0.0002750300000000 ] - [ 0.0001280700000000, -0.0010052700000000, 0.0000151400000000 ] - [ 0.0001452900000000, -0.0000730900000000, 0.0000511000000000 ] - [ -0.0002664200000000, 0.0000671400000000, 0.0001208100000000 ] - [ -0.0000969900000000, 0.0181265600000000, 0.0017502800000000 ] - [ -0.0002189900000000, -0.0000461300000000, -0.0001027100000000 ] - [ -0.0002563700000000, -0.0000089800000000, 0.0001233400000000 ] - [ 0.0000536100000000, -0.0000593100000000, 0.0000206000000000 ] - [ -0.0002274500000000, 0.0005905500000000, 0.0000981500000000 ] - [ 0.0002187600000000, -0.0000891400000000, 0.0000107200000000 ] - [ 0.0000448100000000, -0.0000970400000000, -0.0007223900000000 ] - [ 0.0000274000000000, 0.0000353500000000, -0.0000944200000000 ] - [ -0.0001728300000000, -0.0001190100000000, 0.0000547500000000 ] - [ 0.0002185200000000, 0.0000651200000000, -0.0001064200000000 ] - [ -0.0000467500000000, -0.0000360400000000, 0.0001564800000000 ] - [ 0.0000786400000000, -0.0002627700000000, -0.0002315100000000 ] - [ 0.0002953200000000, -0.0001426000000000, -0.0003934400000000 ] - [ -0.0001253300000000, 0.0000236500000000, -0.0000819400000000 ] - [ 0.0002268200000000, -0.0000266300000000, -0.0000284700000000 ] - [ 0.0001677300000000, 0.0001041800000000, 0.0000623500000000 ] - [ -0.0001530700000000, 0.0001065800000000, 0.0001140900000000 ] - [ 0.0001035500000000, 0.0000067600000000, -0.0003646900000000 ] - [ -0.0002725200000000, -0.0000726200000000, 0.0000396700000000 ] - [ -0.0003666700000000, 0.0001301600000000, -0.0003101700000000 ] - [ 0.0001193600000000, -0.0002176200000000, -0.0001127100000000 ] - [ 0.0000128200000000, -0.0002365200000000, 0.0002231600000000 ] - [ 0.0001737400000000, -0.0001918500000000, 0.0000357900000000 ] - [ -0.0001722100000000, -0.0002101700000000, 0.0001689100000000 ] - [ 0.0006202000000000, -0.0000398600000000, 0.0007957500000000 ] - [ -0.0006895200000000, -0.0002503100000000, 0.0003018600000000 ] - [ 0.0002291100000000, 0.0002168900000000, -0.0001215000000000 ] - [ 0.0003827500000000, -0.0000914900000000, -0.0002535000000000 ] - [ 0.0000919900000000, -0.0000581200000000, -0.0000284500000000 ] - [ -0.0001888500000000, -0.0003076300000000, -0.0001356900000000 ] - [ -0.0003747900000000, 0.0000769800000000, -0.0000632600000000 ] - [ -0.0001781600000000, 0.0001908400000000, -0.0002066600000000 ] - [ 0.0002516900000000, -0.0001963500000000, 0.0002328300000000 ] - [ -0.0004551000000000, 0.0007854600000000, 0.0002695800000000 ] - [ 0.0000180500000000, 0.0000384600000000, -0.0001020800000000 ] - [ 0.0004596500000000, 0.0000557300000000, -0.0002323800000000 ] - [ 0.0001497200000000, 0.0007013000000000, 0.0008570600000000 ] - [ 0.0003150200000000, -0.0001362000000000, 0.0001197500000000 ] - [ 0.0002106900000000, 0.0000906500000000, 0.0001878900000000 ] - [ 0.0014599200000000, -0.0007445800000000, 0.0023710100000000 ] - [ 0.0001602100000000, 0.0001495000000000, 0.0001578600000000 ] - [ 0.0001234800000000, -0.0000623700000000, 0.0002044200000000 ] - [ 0.0000965700000000, -0.0001549000000000, -0.0000175300000000 ] - [ -0.0024351900000000, -0.0007241500000000, 0.0010864400000000 ] - [ 0.0000113700000000, -0.0000446300000000, -0.0002018300000000 ] - [ 0.0001818400000000, -0.0003671000000000, -0.0003089200000000 ] - [ -0.0000940900000000, 0.0002883900000000, -0.0002439500000000 ] - [ 0.0001152000000000, -0.0003849200000000, -0.0003577500000000 ] - [ 0.0002655500000000, 0.0001104400000000, -0.0002247600000000 ] - [ 0.0001069900000000, 0.0004467800000000, -0.0000283400000000 ] - [ -0.0004530800000000, -0.0003229300000000, -0.0004695700000000 ] - [ 0.0001255600000000, 0.0001307900000000, 0.0002155200000000 ] - [ 0.0003938000000000, -0.0001175300000000, 0.0000958300000000 ] - [ -0.0001989000000000, -0.0001028300000000, -0.0002566500000000 ] - [ -0.0001902700000000, -0.0001295900000000, -0.0004075800000000 ] - [ 0.0000036900000000, 0.0000498800000000, 0.0001010500000000 ] - [ -0.0000401400000000, 0.0001995700000000, -0.0001196000000000 ] - [ -0.0001006100000000, -0.0000986000000000, -0.0001930400000000 ] - [ 0.0000330200000000, -0.0003076500000000, 0.0003454000000000 ] - [ 0.0001148700000000, -0.0000396900000000, 0.0001738700000000 ] - [ 0.0000519300000000, 0.0000342400000000, 0.0001933800000000 ] - [ 0.0000860000000000, -0.0001180100000000, 0.0000905900000000 ] - [ 0.0000530600000000, 0.0000340300000000, -0.0003571200000000 ] - [ -0.0000507700000000, 0.0002238000000000, -0.0003145500000000 ] - [ 0.0003007300000000, -0.0006540900000000, -0.0006351500000000 ] - [ 0.0000872200000000, -0.0002677300000000, -0.0000739200000000 ] - [ -0.0002458400000000, -0.0000588600000000, 0.0001369600000000 ] - [ -0.0004873700000000, 0.0000838100000000, 0.0000549600000000 ] - [ -0.0000569900000000, 0.0003882000000000, -0.0002420300000000 ] - [ -0.0001721500000000, -0.0001003000000000, -0.0001237700000000 ] - [ -0.0001826400000000, -0.0004942100000000, 0.0002211000000000 ] - [ 0.0003306500000000, 0.0002605800000000, 0.0000464100000000 ] - [ 0.0000278200000000, 0.0002862500000000, -0.0000611600000000 ] - [ -0.0001619000000000, 0.0004177100000000, 0.0002056900000000 ] - [ -0.0001216000000000, -0.0003528900000000, 0.0000385900000000 ] - [ 0.0000596300000000, -0.0002514300000000, -0.0000584600000000 ] - [ 0.0004555500000000, 0.0007136800000000, -0.0001976600000000 ] - [ -0.0014061500000000, -0.0077809900000000, -0.0011527300000000 ] - [ -0.0010308000000000, -0.0008385400000000, -0.0012098700000000 ] - [ 0.0021628100000000, -0.0076980300000000, -0.0003502800000000 ] - [ -0.0005134800000000, 0.0003740600000000, -0.0001823300000000 ] - [ 0.0001955000000000, -0.0003609600000000, 0.0001075400000000 ] - [ -0.0001830500000000, 0.0001492200000000, -0.0002986000000000 ] - [ 0.0007141500000000, 0.0005467900000000, -0.0001521500000000 ]- atom: 5 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ -0.0001625400000000, 0.0002289000000000, 0.0004363100000000 ] - [ 0.0000508700000000, -0.0000285000000000, 0.0000762600000000 ] - [ 0.0002467100000000, -0.0001376700000000, -0.0000124200000000 ] - [ 0.0001616400000000, -0.0000183500000000, -0.0001461000000000 ] - [ -0.0009468200000000, -0.0016494600000000, -0.0133875900000000 ] - [ -0.0006389200000000, 0.0000108400000000, 0.0005478300000000 ] - [ -0.0002747600000000, -0.0000146000000000, 0.0002399700000000 ] - [ 0.0000531900000000, -0.0001037500000000, 0.0001095900000000 ] - [ 0.0002696800000000, 0.0002823000000000, -0.0002392400000000 ] - [ 0.0002386400000000, -0.0001339700000000, -0.0000276500000000 ] - [ 0.0002379500000000, 0.0003868900000000, -0.0001762300000000 ] - [ 0.0000064100000000, 0.0000536000000000, -0.0000969300000000 ] - [ -0.0001131300000000, -0.0000556000000000, 0.0004994500000000 ] - [ 0.0002296400000000, 0.0001215500000000, -0.0000097300000000 ] - [ -0.0000340800000000, 0.0000089500000000, 0.0003612500000000 ] - [ 0.0000426300000000, -0.0003200600000000, -0.0001695800000000 ] - [ -0.0002602600000000, 0.0003305600000000, -0.0001694300000000 ] - [ 0.0001421400000000, -0.0000470300000000, 0.0004254500000000 ] - [ 0.0002145700000000, 0.0000263500000000, -0.0000921200000000 ] - [ 0.0001876400000000, 0.0000796000000000, 0.0000601300000000 ] - [ -0.0001829800000000, 0.0000454600000000, 0.0000608400000000 ] - [ 0.0000872000000000, 0.0001913100000000, -0.0003204800000000 ] - [ -0.0005220800000000, -0.0000409300000000, 0.0000258200000000 ] - [ -0.0001987300000000, 0.0006052200000000, -0.0000843600000000 ] - [ 0.0001877600000000, -0.0001672600000000, -0.0002336100000000 ] - [ -0.0000508100000000, -0.0002915600000000, 0.0001767300000000 ] - [ 0.0002397300000000, -0.0002308700000000, 0.0000164500000000 ] - [ -0.0002653800000000, -0.0001543400000000, 0.0002892000000000 ] - [ 0.0004812400000000, -0.0006443300000000, 0.0002685900000000 ] - [ -0.0002130400000000, -0.0004126900000000, -0.0000810800000000 ] - [ 0.0002132500000000, 0.0002299100000000, -0.0000928500000000 ] - [ 0.0000594700000000, 0.0001253000000000, -0.0001900800000000 ] - [ -0.0000267700000000, -0.0000297700000000, 0.0000394000000000 ] - [ -0.0011803700000000, -0.0005493900000000, 0.0002974500000000 ] - [ -0.0002467900000000, 0.0001472800000000, 0.0000356700000000 ] - [ -0.0001470900000000, -0.0003669800000000, 0.0003977600000000 ] - [ 0.0004533800000000, 0.0000690000000000, 0.0003866400000000 ] - [ -0.0005034400000000, -0.0011144500000000, -0.0000152800000000 ] - [ -0.0002489300000000, -0.0005176400000000, -0.0005515500000000 ] - [ -0.0018878600000000, 0.0009351400000000, 0.0022015300000000 ] - [ -0.0003032500000000, -0.0024249700000000, 0.0007384900000000 ] - [ 0.0003348100000000, 0.0001186600000000, 0.0003356100000000 ] - [ 0.0002523600000000, 0.0002444900000000, 0.0004095800000000 ] - [ -0.0002603000000000, -0.0007717900000000, -0.0006252100000000 ] - [ 0.0001459400000000, 0.0001948500000000, 0.0002829100000000 ] - [ 0.0001855700000000, 0.0000819600000000, 0.0001270200000000 ] - [ -0.0000526800000000, -0.0000680100000000, 0.0000094300000000 ] - [ 0.0005169600000000, -0.0002379000000000, -0.0002197900000000 ] - [ -0.0001768300000000, -0.0000767300000000, -0.0002477400000000 ] - [ 0.0001748300000000, 0.0001514800000000, -0.0000718800000000 ] - [ 0.0002745500000000, 0.0004176700000000, 0.0005253100000000 ] - [ 0.0001609900000000, -0.0005009100000000, -0.0003505700000000 ] - [ 0.0002751300000000, 0.0000369500000000, -0.0003679600000000 ] - [ -0.0010625100000000, 0.0006887000000000, -0.0000080300000000 ] - [ 0.0029354200000000, 0.0002973700000000, 0.0041622100000000 ] - [ 0.0000913700000000, -0.0000015100000000, 0.0001001900000000 ] - [ 0.0004745300000000, -0.0001553300000000, 0.0000519700000000 ] - [ -0.0000860400000000, -0.0002319600000000, -0.0002719700000000 ] - [ -0.0002252100000000, 0.0006560300000000, -0.0001065700000000 ] - [ 0.0002469500000000, 0.0000060900000000, 0.0000945200000000 ] - [ -0.0000027300000000, 0.0002116900000000, -0.0000906600000000 ] - [ 0.0000548600000000, -0.0001877500000000, -0.0002518200000000 ] - [ 0.0000811400000000, -0.0001394100000000, -0.0002368000000000 ] - [ 0.0002010800000000, -0.0001183100000000, 0.0001797100000000 ] - [ 0.0000876500000000, 0.0000635600000000, 0.0000830200000000 ] - [ 0.0000103100000000, -0.0001799600000000, 0.0000475400000000 ] - [ -0.0000877000000000, -0.0002559800000000, -0.0002763600000000 ] - [ -0.0001526600000000, 0.0002775600000000, -0.0005224300000000 ] - [ -0.0018838700000000, 0.0005471100000000, 0.0007888300000000 ] - [ 0.0001785300000000, 0.0002114700000000, -0.0000647100000000 ] - [ -0.0003372300000000, -0.0002377700000000, -0.0000631600000000 ] - [ -0.0001709300000000, -0.0000652200000000, -0.0002436700000000 ] - [ -0.0000154300000000, 0.0001119400000000, -0.0001090200000000 ] - [ 0.0000893400000000, 0.0001049200000000, -0.0002039900000000 ] - [ 0.0003085400000000, -0.0004618500000000, 0.0004863100000000 ] - [ 0.0003855700000000, 0.0002454300000000, 0.0001054300000000 ] - [ 0.0000891200000000, 0.0002854800000000, -0.0001733500000000 ] - [ -0.0002037500000000, 0.0003793300000000, 0.0000690400000000 ] - [ 0.0002332400000000, -0.0002266100000000, -0.0003819800000000 ] - [ -0.0000038200000000, -0.0003024800000000, 0.0000340800000000 ] - [ -0.0001049600000000, 0.0001278300000000, 0.0003480500000000 ] - [ 0.0002054800000000, 0.0015448600000000, 0.0005567600000000 ] - [ 0.0014622200000000, 0.0013948000000000, 0.0044223000000000 ] - [ 0.0000720000000000, 0.0004348300000000, 0.0000684000000000 ] - [ -0.0001805400000000, 0.0004615500000000, 0.0002831800000000 ] - [ 0.0002610200000000, 0.0000486200000000, 0.0001940800000000 ] - [ -0.0003522400000000, 0.0001078800000000, -0.0004952800000000 ] - [ 0.0001742100000000, 0.0003423800000000, 0.0000230100000000 ]- atom: 5 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0000014200000000, 0.0002647500000000, 0.0001266500000000 ] - [ 0.0000732200000000, 0.0001613800000000, -0.0000513500000000 ] - [ 0.0002080000000000, -0.0000259300000000, -0.0000045800000000 ] - [ -0.0005817300000000, 0.0000149700000000, 0.0003751200000000 ] - [ 0.0009147900000000, 0.0016466600000000, 0.0135555000000000 ] - [ 0.0001722000000000, -0.0002996000000000, -0.0005702200000000 ] - [ -0.0001454700000000, 0.0000186100000000, -0.0000112400000000 ] - [ 0.0000714900000000, -0.0000266800000000, -0.0000842300000000 ] - [ -0.0006861800000000, 0.0001540100000000, 0.0005178500000000 ] - [ 0.0001995100000000, -0.0000728700000000, 0.0000467500000000 ] - [ 0.0001826800000000, -0.0003835300000000, -0.0000508600000000 ] - [ 0.0000503600000000, -0.0000006400000000, -0.0001461300000000 ] - [ -0.0003241600000000, -0.0001528100000000, -0.0005145800000000 ] - [ 0.0002249100000000, 0.0000419800000000, -0.0000065900000000 ] - [ -0.0000211400000000, -0.0000606300000000, -0.0001161300000000 ] - [ 0.0001217600000000, -0.0001721800000000, -0.0003909900000000 ] - [ -0.0001770500000000, -0.0001215400000000, 0.0001518300000000 ] - [ -0.0002673600000000, 0.0001793100000000, -0.0004497700000000 ] - [ 0.0002066000000000, -0.0000287600000000, -0.0001350000000000 ] - [ 0.0002509100000000, 0.0001300700000000, -0.0000418500000000 ] - [ -0.0002711100000000, 0.0001195500000000, -0.0000418400000000 ] - [ 0.0000765000000000, 0.0003026300000000, -0.0002345100000000 ] - [ 0.0000687700000000, -0.0001212500000000, -0.0000070100000000 ] - [ -0.0002724000000000, -0.0003147900000000, 0.0000693100000000 ] - [ 0.0002303800000000, -0.0002680900000000, -0.0000404900000000 ] - [ -0.0001124600000000, -0.0002007500000000, 0.0003804300000000 ] - [ 0.0002309800000000, -0.0000566600000000, 0.0000018400000000 ] - [ -0.0001531000000000, -0.0002813000000000, -0.0000075900000000 ] - [ -0.0000063800000000, 0.0009271200000000, -0.0002499200000000 ] - [ 0.0000894400000000, 0.0002822600000000, 0.0000593300000000 ] - [ 0.0002056400000000, 0.0002070600000000, -0.0001861300000000 ] - [ -0.0000037600000000, -0.0001755200000000, -0.0000525800000000 ] - [ 0.0000481400000000, 0.0000555700000000, -0.0001056800000000 ] - [ 0.0003657700000000, 0.0004880300000000, -0.0004455100000000 ] - [ -0.0005670600000000, -0.0000882000000000, -0.0001761500000000 ] - [ -0.0003012500000000, 0.0002816000000000, -0.0008381100000000 ] - [ 0.0000136500000000, -0.0004358300000000, 0.0001645200000000 ] - [ 0.0000350600000000, 0.0014802300000000, -0.0005352900000000 ] - [ -0.0002153500000000, 0.0001489300000000, 0.0000029600000000 ] - [ 0.0018577600000000, -0.0009542300000000, -0.0021071000000000 ] - [ 0.0002832200000000, 0.0024577600000000, -0.0006785600000000 ] - [ 0.0004769900000000, -0.0001785600000000, -0.0001908100000000 ] - [ 0.0001963600000000, -0.0001635400000000, 0.0000331600000000 ] - [ -0.0001874900000000, 0.0008537600000000, 0.0001950200000000 ] - [ 0.0003191900000000, 0.0001780300000000, 0.0002659900000000 ] - [ 0.0002634800000000, -0.0001630600000000, 0.0003158000000000 ] - [ 0.0000741700000000, 0.0000332900000000, -0.0000905200000000 ] - [ 0.0003020000000000, 0.0002995600000000, 0.0003607400000000 ] - [ 0.0001295300000000, 0.0000144700000000, -0.0001202300000000 ] - [ -0.0001526000000000, -0.0004146800000000, -0.0000732900000000 ] - [ 0.0000706000000000, -0.0000748600000000, 0.0000960600000000 ] - [ 0.0001317300000000, -0.0003586200000000, -0.0000623300000000 ] - [ 0.0002126300000000, 0.0000891300000000, -0.0000262600000000 ] - [ 0.0005881300000000, -0.0005609800000000, 0.0004172100000000 ] - [ -0.0027862300000000, -0.0000092200000000, -0.0036376100000000 ] - [ 0.0001896500000000, 0.0001592400000000, 0.0002035100000000 ] - [ 0.0003892400000000, -0.0001443500000000, 0.0001248000000000 ] - [ -0.0002584900000000, -0.0001101900000000, -0.0003478500000000 ] - [ -0.0000581300000000, -0.0004989500000000, -0.0001957100000000 ] - [ -0.0002700800000000, 0.0002580000000000, 0.0000503800000000 ] - [ 0.0000219000000000, 0.0000526900000000, -0.0000540500000000 ] - [ -0.0001056700000000, -0.0000717300000000, -0.0000959200000000 ] - [ 0.0000688800000000, -0.0003903700000000, 0.0009271300000000 ] - [ 0.0000825800000000, -0.0000395400000000, 0.0001239300000000 ] - [ -0.0000401000000000, 0.0000014300000000, 0.0002870300000000 ] - [ -0.0000306000000000, -0.0000831100000000, 0.0000995200000000 ] - [ -0.0000600300000000, -0.0002736400000000, -0.0004117500000000 ] - [ 0.0000035800000000, 0.0002536700000000, -0.0001653800000000 ] - [ 0.0015472600000000, -0.0007026300000000, -0.0010705900000000 ] - [ -0.0001276700000000, -0.0004734100000000, 0.0004149400000000 ] - [ -0.0001484500000000, 0.0001127500000000, 0.0004588200000000 ] - [ -0.0006913900000000, 0.0003684400000000, 0.0000686100000000 ] - [ -0.0000354300000000, 0.0001493200000000, -0.0002372100000000 ] - [ -0.0001349200000000, -0.0000398900000000, -0.0001647800000000 ] - [ -0.0006015100000000, -0.0003977200000000, -0.0000698900000000 ] - [ 0.0004772700000000, 0.0000568500000000, 0.0000734200000000 ] - [ 0.0000163900000000, 0.0002999700000000, 0.0000404400000000 ] - [ -0.0000892200000000, 0.0004808700000000, 0.0003443000000000 ] - [ -0.0003386600000000, -0.0003571600000000, 0.0005180600000000 ] - [ 0.0001094100000000, -0.0002814300000000, -0.0001688700000000 ] - [ 0.0001492700000000, -0.0001910600000000, 0.0000241100000000 ] - [ -0.0000582200000000, -0.0010386700000000, 0.0001250600000000 ] - [ -0.0024141600000000, -0.0017176900000000, -0.0048132400000000 ] - [ 0.0004092400000000, -0.0005329800000000, -0.0004629500000000 ] - [ 0.0000747800000000, 0.0001229800000000, -0.0001474900000000 ] - [ 0.0000879600000000, -0.0003907200000000, 0.0004275000000000 ] - [ 0.0000056000000000, 0.0002351700000000, -0.0001243800000000 ] - [ 0.0001168600000000, 0.0005184500000000, -0.0004365200000000 ]- atom: 6 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ 0.0003424100000000, 0.0003494800000000, 0.0000626700000000 ] - [ -0.0000131100000000, 0.0000623600000000, -0.0000246800000000 ] - [ 0.0002870100000000, -0.0000701900000000, 0.0000042700000000 ] - [ -0.0001561400000000, -0.0000040500000000, 0.0003407300000000 ] - [ -0.0003765500000000, 0.0000080800000000, -0.0003064600000000 ] - [ -0.0145039400000000, 0.0006778700000000, 0.0010683200000000 ] - [ -0.0003377800000000, 0.0002633100000000, 0.0000748900000000 ] - [ -0.0001669600000000, 0.0002100500000000, 0.0001508100000000 ] - [ 0.0002995900000000, 0.0003138000000000, 0.0000092200000000 ] - [ 0.0002482400000000, -0.0000958300000000, 0.0000145800000000 ] - [ 0.0003974300000000, 0.0005468300000000, -0.0002541900000000 ] - [ -0.0000025600000000, -0.0000369100000000, -0.0001190700000000 ] - [ 0.0003784800000000, -0.0000950200000000, 0.0003428700000000 ] - [ 0.0004023800000000, 0.0000196600000000, 0.0000462000000000 ] - [ -0.0000659400000000, -0.0001551000000000, 0.0001574800000000 ] - [ 0.0002328700000000, -0.0002323100000000, -0.0002904100000000 ] - [ -0.0001854700000000, 0.0000885000000000, -0.0000549300000000 ] - [ -0.0003174800000000, 0.0001474700000000, -0.0001439400000000 ] - [ 0.0001809700000000, 0.0000057800000000, -0.0001262800000000 ] - [ 0.0002601100000000, 0.0001042300000000, -0.0000795900000000 ] - [ -0.0000389500000000, 0.0001395800000000, 0.0000399100000000 ] - [ 0.0001486700000000, 0.0002135700000000, -0.0002874300000000 ] - [ -0.0001114100000000, -0.0000994600000000, 0.0000736700000000 ] - [ -0.0003083800000000, 0.0001119000000000, -0.0000388000000000 ] - [ 0.0003080600000000, -0.0002591600000000, -0.0000793200000000 ] - [ 0.0000441600000000, -0.0001960800000000, 0.0002953700000000 ] - [ 0.0002346300000000, -0.0003560400000000, 0.0000021300000000 ] - [ -0.0001280300000000, -0.0002307100000000, 0.0001938100000000 ] - [ 0.0001211900000000, 0.0001520700000000, -0.0000449800000000 ] - [ -0.0002664800000000, 0.0001897500000000, -0.0000804900000000 ] - [ 0.0002400600000000, 0.0001242800000000, -0.0000971400000000 ] - [ -0.0000578200000000, -0.0004020400000000, 0.0001158700000000 ] - [ -0.0003898800000000, -0.0008371800000000, 0.0001218500000000 ] - [ 0.0006658800000000, 0.0004009900000000, 0.0003505900000000 ] - [ -0.0005354200000000, 0.0001861100000000, -0.0000574700000000 ] - [ 0.0006818900000000, 0.0002130600000000, -0.0000077900000000 ] - [ 0.0017993300000000, -0.0004096300000000, 0.0011679100000000 ] - [ -0.0000396100000000, 0.0003060300000000, -0.0003212500000000 ] - [ 0.0000047100000000, -0.0003990600000000, -0.0004161700000000 ] - [ -0.0003929500000000, -0.0002104800000000, 0.0000796100000000 ] - [ -0.0002064100000000, -0.0030875900000000, 0.0007354200000000 ] - [ 0.0002130900000000, 0.0002087400000000, 0.0003399200000000 ] - [ 0.0001889000000000, -0.0018331000000000, -0.0005209200000000 ] - [ -0.0000802900000000, -0.0002163100000000, -0.0007047500000000 ] - [ 0.0004007100000000, 0.0001098100000000, 0.0002617700000000 ] - [ 0.0002741100000000, 0.0000339400000000, 0.0001317100000000 ] - [ -0.0001202700000000, -0.0001194100000000, -0.0000473100000000 ] - [ 0.0004720800000000, 0.0000665300000000, 0.0000696600000000 ] - [ -0.0000287600000000, -0.0001087800000000, -0.0000963200000000 ] - [ -0.0001193900000000, -0.0001410700000000, -0.0000626300000000 ] - [ 0.0000530800000000, 0.0005863400000000, 0.0003016700000000 ] - [ 0.0000135700000000, -0.0004440500000000, -0.0003002900000000 ] - [ 0.0003234600000000, 0.0000937000000000, -0.0001788700000000 ] - [ 0.0005901000000000, 0.0003084100000000, 0.0025709800000000 ] - [ 0.0002475700000000, 0.0001083700000000, 0.0001808000000000 ] - [ 0.0000357100000000, 0.0002057000000000, 0.0001519200000000 ] - [ 0.0006314200000000, 0.0000319900000000, -0.0000692000000000 ] - [ -0.0002654500000000, -0.0001523200000000, -0.0002924900000000 ] - [ -0.0000293500000000, 0.0004497500000000, -0.0000365700000000 ] - [ -0.0003379500000000, 0.0001233900000000, 0.0002002100000000 ] - [ -0.0001633400000000, 0.0002043200000000, -0.0001023200000000 ] - [ 0.0008616900000000, 0.0005859100000000, -0.0002789300000000 ] - [ -0.0004876000000000, -0.0005441700000000, 0.0007675800000000 ] - [ 0.0001329000000000, -0.0000449100000000, 0.0001355900000000 ] - [ 0.0000306300000000, -0.0001410800000000, 0.0000426600000000 ] - [ -0.0001134600000000, -0.0001383800000000, 0.0000527700000000 ] - [ 0.0000167300000000, -0.0002618700000000, -0.0003132400000000 ] - [ 0.0000705700000000, 0.0003654400000000, -0.0002440600000000 ] - [ -0.0001675100000000, -0.0001320600000000, -0.0002726500000000 ] - [ 0.0005641100000000, 0.0001557500000000, 0.0000066400000000 ] - [ -0.0001270600000000, -0.0001020900000000, 0.0002128800000000 ] - [ -0.0004158400000000, 0.0002388100000000, -0.0001442500000000 ] - [ 0.0000771600000000, 0.0002054700000000, -0.0000758200000000 ] - [ -0.0001659700000000, -0.0002094900000000, -0.0001871600000000 ] - [ -0.0003518000000000, -0.0005002800000000, 0.0000594300000000 ] - [ 0.0005069900000000, 0.0001910900000000, 0.0000922700000000 ] - [ -0.0002691800000000, 0.0007684400000000, 0.0001285700000000 ] - [ -0.0002300400000000, 0.0002727300000000, 0.0002602100000000 ] - [ -0.0001310200000000, -0.0002749800000000, 0.0000104300000000 ] - [ -0.0000201100000000, -0.0002936000000000, -0.0000954300000000 ] - [ 0.0000055700000000, -0.0000364600000000, 0.0002137400000000 ] - [ 0.0002090600000000, 0.0003899300000000, 0.0005111500000000 ] - [ 0.0058155900000000, 0.0001432100000000, -0.0025156900000000 ] - [ 0.0001832600000000, -0.0002224400000000, -0.0000141300000000 ] - [ -0.0002470200000000, 0.0005349000000000, 0.0002074300000000 ] - [ 0.0000490400000000, -0.0001390800000000, 0.0002336600000000 ] - [ 0.0032229200000000, 0.0016960000000000, -0.0030243300000000 ] - [ 0.0000045600000000, 0.0003193400000000, -0.0001841200000000 ]- atom: 6 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0005096800000000, 0.0001440600000000, 0.0004987400000000 ] - [ 0.0001359000000000, 0.0000701600000000, 0.0000472700000000 ] - [ 0.0001662400000000, -0.0000940700000000, -0.0000217100000000 ] - [ -0.0002661600000000, 0.0000007800000000, -0.0001135500000000 ] - [ 0.0003211000000000, 0.0000419900000000, 0.0005523600000000 ] - [ 0.0142093400000000, -0.0010172800000000, -0.0011200500000000 ] - [ -0.0000841800000000, -0.0002602800000000, 0.0001523100000000 ] - [ 0.0002925200000000, -0.0003408100000000, -0.0001257500000000 ] - [ -0.0007163700000000, 0.0001219400000000, 0.0002650000000000 ] - [ 0.0001897700000000, -0.0001114400000000, 0.0000027800000000 ] - [ 0.0000209300000000, -0.0005477800000000, 0.0000277600000000 ] - [ 0.0000586900000000, 0.0000887900000000, -0.0001249100000000 ] - [ -0.0008232300000000, -0.0001125600000000, -0.0003628900000000 ] - [ 0.0000511400000000, 0.0001430400000000, -0.0000630900000000 ] - [ 0.0000090700000000, 0.0001030900000000, 0.0000870800000000 ] - [ -0.0000668600000000, -0.0002611400000000, -0.0002713500000000 ] - [ -0.0002540600000000, 0.0001185300000000, 0.0000373800000000 ] - [ 0.0001926700000000, -0.0000163400000000, 0.0001184900000000 ] - [ 0.0002399800000000, -0.0000082300000000, -0.0001016100000000 ] - [ 0.0001782200000000, 0.0001040400000000, 0.0000963300000000 ] - [ -0.0004157500000000, 0.0000244700000000, -0.0000223600000000 ] - [ 0.0000158600000000, 0.0002798800000000, -0.0002684700000000 ] - [ -0.0003432700000000, -0.0000634400000000, -0.0000562100000000 ] - [ -0.0001631300000000, 0.0001762700000000, 0.0000228200000000 ] - [ 0.0001085600000000, -0.0001766000000000, -0.0001965900000000 ] - [ -0.0002102100000000, -0.0002977700000000, 0.0002607600000000 ] - [ 0.0002344600000000, 0.0000673500000000, 0.0000153500000000 ] - [ -0.0002909600000000, -0.0002059600000000, 0.0000865200000000 ] - [ 0.0003503700000000, 0.0001353300000000, 0.0000600500000000 ] - [ 0.0001415800000000, -0.0003231600000000, 0.0000563100000000 ] - [ 0.0001778000000000, 0.0003116600000000, -0.0001829900000000 ] - [ 0.0001123300000000, 0.0003515400000000, -0.0003600900000000 ] - [ 0.0003986500000000, 0.0008586000000000, -0.0001917400000000 ] - [ -0.0014800000000000, -0.0004601500000000, -0.0004862300000000 ] - [ -0.0002775600000000, -0.0001259500000000, -0.0000876700000000 ] - [ -0.0011334600000000, -0.0002923500000000, -0.0004295800000000 ] - [ -0.0013223200000000, 0.0000442800000000, -0.0006135800000000 ] - [ -0.0004253200000000, 0.0000605500000000, -0.0002317800000000 ] - [ -0.0004678400000000, 0.0000289600000000, -0.0001349200000000 ] - [ 0.0003731800000000, 0.0001844600000000, -0.0000081900000000 ] - [ 0.0001920400000000, 0.0031335800000000, -0.0006643600000000 ] - [ 0.0006006300000000, -0.0002714200000000, -0.0001968700000000 ] - [ 0.0002635400000000, 0.0019084400000000, 0.0009528300000000 ] - [ -0.0003724400000000, 0.0002951800000000, 0.0002659100000000 ] - [ 0.0000626400000000, 0.0002590800000000, 0.0002901400000000 ] - [ 0.0001745200000000, -0.0001101400000000, 0.0003131300000000 ] - [ 0.0001398400000000, 0.0000882200000000, -0.0000307400000000 ] - [ 0.0003399300000000, -0.0000077600000000, 0.0000720700000000 ] - [ -0.0000194000000000, 0.0000465800000000, -0.0002716300000000 ] - [ 0.0001433600000000, -0.0001230700000000, -0.0000844200000000 ] - [ 0.0002919700000000, -0.0002455300000000, 0.0003203500000000 ] - [ 0.0002793900000000, -0.0004153600000000, -0.0001107500000000 ] - [ 0.0001598300000000, 0.0000326800000000, -0.0002163900000000 ] - [ -0.0010758000000000, -0.0001761800000000, -0.0021330700000000 ] - [ -0.0001982700000000, 0.0001515300000000, 0.0001676100000000 ] - [ 0.0002449300000000, -0.0000475400000000, 0.0001528400000000 ] - [ 0.0002340800000000, -0.0003321100000000, 0.0002429600000000 ] - [ -0.0000800300000000, -0.0001899900000000, -0.0003295500000000 ] - [ -0.0002551100000000, -0.0002936600000000, -0.0002674000000000 ] - [ 0.0003152500000000, 0.0001403600000000, -0.0000525400000000 ] - [ 0.0001827700000000, 0.0000594000000000, -0.0000439300000000 ] - [ -0.0009090000000000, -0.0008275600000000, -0.0000694200000000 ] - [ 0.0006391300000000, 0.0000106600000000, -0.0000820500000000 ] - [ 0.0001495500000000, -0.0001137500000000, 0.0001676500000000 ] - [ 0.0000160700000000, 0.0002053900000000, 0.0003272100000000 ] - [ 0.0000923700000000, -0.0001255800000000, 0.0000930100000000 ] - [ -0.0001655100000000, -0.0002683000000000, -0.0003739500000000 ] - [ -0.0002196600000000, 0.0001662200000000, -0.0004430700000000 ] - [ -0.0001144800000000, -0.0000261600000000, -0.0000319600000000 ] - [ -0.0005152500000000, -0.0004321500000000, 0.0003448400000000 ] - [ -0.0003582400000000, -0.0000242600000000, 0.0001817600000000 ] - [ -0.0004482100000000, 0.0000604300000000, -0.0000306200000000 ] - [ -0.0001284400000000, 0.0000542600000000, -0.0002727900000000 ] - [ 0.0001191900000000, 0.0002716300000000, -0.0001832800000000 ] - [ 0.0000617400000000, -0.0003604800000000, 0.0003533100000000 ] - [ 0.0003545800000000, 0.0001089100000000, 0.0000840500000000 ] - [ 0.0003732400000000, -0.0001834100000000, -0.0002627600000000 ] - [ -0.0000641400000000, 0.0005867900000000, 0.0001512200000000 ] - [ 0.0000255500000000, -0.0003098600000000, 0.0001232200000000 ] - [ 0.0001227400000000, -0.0002912200000000, -0.0000409300000000 ] - [ 0.0000401500000000, -0.0000254000000000, 0.0001550300000000 ] - [ -0.0000610600000000, 0.0001399500000000, 0.0001750000000000 ] - [ -0.0069552700000000, -0.0004076900000000, 0.0024448700000000 ] - [ 0.0002995600000000, 0.0000971300000000, -0.0003848100000000 ] - [ 0.0001429600000000, 0.0000506600000000, -0.0000712400000000 ] - [ 0.0002979000000000, -0.0002039900000000, 0.0003869200000000 ] - [ -0.0034353500000000, -0.0013392300000000, 0.0022997100000000 ] - [ 0.0002882000000000, 0.0005402400000000, -0.0002290900000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001696400000000, 0.0002483300000000, 0.0003100200000000 ] - [ 0.0001090600000000, 0.0001462300000000, -0.0000000100000000 ] - [ 0.0002134700000000, -0.0000825900000000, -0.0000164900000000 ] - [ -0.0001935900000000, 0.0000823600000000, 0.0001729200000000 ] - [ -0.0000501200000000, -0.0000716100000000, 0.0002761100000000 ] - [ 0.0006133800000000, -0.0143949400000000, -0.0000377800000000 ] - [ 0.0001944100000000, 0.0001377500000000, -0.0000672400000000 ] - [ 0.0004121600000000, 0.0001965200000000, 0.0007938600000000 ] - [ -0.0003093400000000, 0.0002191600000000, 0.0001855300000000 ] - [ 0.0001508700000000, -0.0000079200000000, -0.0000489100000000 ] - [ 0.0008019800000000, 0.0001311400000000, -0.0003003100000000 ] - [ 0.0000657200000000, 0.0000748000000000, -0.0000330100000000 ] - [ -0.0002409900000000, -0.0002089700000000, -0.0000802200000000 ] - [ 0.0001607300000000, 0.0000894500000000, -0.0000227800000000 ] - [ -0.0001855200000000, -0.0000113500000000, -0.0003481200000000 ] - [ 0.0000234200000000, -0.0002533400000000, -0.0002210300000000 ] - [ -0.0002462500000000, 0.0001172600000000, 0.0000470100000000 ] - [ -0.0000139800000000, 0.0000088600000000, -0.0000147300000000 ] - [ 0.0002159500000000, -0.0000189500000000, -0.0001050900000000 ] - [ 0.0001899500000000, 0.0000976300000000, 0.0000535800000000 ] - [ -0.0002825100000000, 0.0000659100000000, -0.0000338000000000 ] - [ 0.0000373000000000, 0.0002841500000000, -0.0002621500000000 ] - [ -0.0002472600000000, -0.0000825300000000, 0.0000108100000000 ] - [ -0.0002030100000000, 0.0001543500000000, 0.0000190300000000 ] - [ 0.0001876300000000, -0.0002424700000000, -0.0002061200000000 ] - [ -0.0001546700000000, -0.0002296900000000, 0.0003592600000000 ] - [ 0.0004476100000000, 0.0009115400000000, 0.0000605600000000 ] - [ -0.0002419200000000, -0.0002055400000000, 0.0000871600000000 ] - [ 0.0002439200000000, 0.0001219700000000, 0.0000260500000000 ] - [ 0.0002353300000000, 0.0002690200000000, 0.0005926300000000 ] - [ 0.0000973500000000, 0.0002058900000000, -0.0000992700000000 ] - [ -0.0003089900000000, 0.0001576400000000, -0.0009243600000000 ] - [ -0.0029770500000000, 0.0003864800000000, 0.0007596300000000 ] - [ -0.0000976000000000, -0.0000143400000000, 0.0000122600000000 ] - [ -0.0002505300000000, -0.0000353900000000, -0.0000550100000000 ] - [ -0.0003956200000000, 0.0002328700000000, -0.0002487900000000 ] - [ -0.0000539400000000, -0.0005722000000000, 0.0003204200000000 ] - [ -0.0003387700000000, 0.0001242700000000, -0.0002842000000000 ] - [ -0.0003880900000000, 0.0001090800000000, -0.0002391100000000 ] - [ 0.0000446700000000, 0.0000367400000000, -0.0000112500000000 ] - [ -0.0034202600000000, 0.0002170100000000, 0.0007574800000000 ] - [ 0.0004159900000000, 0.0001248300000000, 0.0000917900000000 ] - [ -0.0001134200000000, -0.0006364300000000, 0.0005906100000000 ] - [ -0.0002236100000000, 0.0005365800000000, 0.0000615400000000 ] - [ 0.0001217400000000, 0.0002046000000000, 0.0002571800000000 ] - [ 0.0000635200000000, -0.0001979700000000, 0.0001226300000000 ] - [ 0.0000313400000000, -0.0000900100000000, -0.0001002800000000 ] - [ 0.0006779900000000, 0.0001190000000000, 0.0000692500000000 ] - [ -0.0000296900000000, 0.0000142500000000, -0.0002119900000000 ] - [ 0.0000073100000000, -0.0000952800000000, -0.0000490700000000 ] - [ 0.0004328200000000, -0.0001157700000000, 0.0002508300000000 ] - [ 0.0001516800000000, -0.0004646900000000, -0.0002006800000000 ] - [ 0.0002561100000000, -0.0002946400000000, -0.0002424500000000 ] - [ 0.0001941700000000, 0.0003117700000000, 0.0010568400000000 ] - [ -0.0000091800000000, 0.0001647200000000, 0.0001856600000000 ] - [ 0.0006305500000000, 0.0003133800000000, 0.0001945900000000 ] - [ 0.0010057200000000, -0.0006583400000000, -0.0001865300000000 ] - [ -0.0000721800000000, -0.0002081000000000, -0.0001849800000000 ] - [ 0.0002935300000000, -0.0000854300000000, -0.0001493300000000 ] - [ -0.0000181300000000, 0.0002832700000000, 0.0000592600000000 ] - [ 0.0000133800000000, -0.0000018900000000, -0.0001165400000000 ] - [ 0.0015260500000000, 0.0059666600000000, -0.0002333600000000 ] - [ -0.0001916400000000, -0.0004833300000000, -0.0005449300000000 ] - [ 0.0001589000000000, -0.0000712900000000, 0.0001781100000000 ] - [ -0.0001153900000000, -0.0001387800000000, 0.0001055500000000 ] - [ -0.0000024200000000, -0.0001637200000000, 0.0000771300000000 ] - [ -0.0001012400000000, -0.0000792200000000, -0.0005442800000000 ] - [ -0.0000315300000000, 0.0003827000000000, -0.0005533300000000 ] - [ -0.0001207300000000, -0.0000433900000000, -0.0001367100000000 ] - [ 0.0009337300000000, 0.0051734300000000, -0.0008015700000000 ] - [ -0.0003531300000000, -0.0000812700000000, 0.0001881700000000 ] - [ -0.0004053500000000, 0.0001193400000000, -0.0000913900000000 ] - [ -0.0000612100000000, 0.0001020100000000, -0.0001667400000000 ] - [ -0.0002273800000000, 0.0000731200000000, -0.0002762800000000 ] - [ -0.0002134500000000, -0.0004257600000000, 0.0002210800000000 ] - [ 0.0005115500000000, 0.0002055400000000, 0.0001257800000000 ] - [ 0.0002306800000000, 0.0005392200000000, -0.0002099500000000 ] - [ -0.0000706300000000, 0.0004072300000000, 0.0002320800000000 ] - [ 0.0000228500000000, -0.0002808600000000, 0.0000925700000000 ] - [ 0.0001289600000000, -0.0003114500000000, -0.0000459500000000 ] - [ -0.0000043900000000, -0.0000881400000000, 0.0001946200000000 ] - [ 0.0000928900000000, 0.0001280800000000, 0.0001465700000000 ] - [ -0.0006993900000000, 0.0003802600000000, 0.0000576100000000 ] - [ 0.0000008700000000, -0.0000691400000000, -0.0001477600000000 ] - [ 0.0001803800000000, 0.0001583500000000, -0.0001110800000000 ] - [ 0.0002659200000000, -0.0001636000000000, 0.0004192400000000 ] - [ 0.0008450400000000, 0.0006701200000000, -0.0006945900000000 ] - [ 0.0001951600000000, 0.0004754600000000, -0.0001634700000000 ]- atom: 6 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000039400000000, 0.0002422900000000, 0.0002522300000000 ] - [ 0.0000147100000000, -0.0000160400000000, 0.0000233300000000 ] - [ 0.0002405200000000, -0.0000839500000000, -0.0000006600000000 ] - [ -0.0002279000000000, -0.0000879200000000, 0.0000544900000000 ] - [ -0.0000054200000000, 0.0001192500000000, -0.0000330900000000 ] - [ -0.0010742500000000, 0.0144000900000000, 0.0000784100000000 ] - [ -0.0006138400000000, -0.0001370700000000, 0.0002940700000000 ] - [ -0.0002899500000000, -0.0003314900000000, -0.0007759200000000 ] - [ -0.0001072500000000, 0.0002146200000000, 0.0000902400000000 ] - [ 0.0002874200000000, -0.0002023200000000, 0.0000669800000000 ] - [ -0.0003845200000000, -0.0001319200000000, 0.0000732500000000 ] - [ -0.0000089100000000, -0.0000249900000000, -0.0002111800000000 ] - [ -0.0001964400000000, -0.0000015400000000, 0.0000634500000000 ] - [ 0.0002936600000000, 0.0000712600000000, 0.0000057800000000 ] - [ 0.0001287400000000, -0.0000430700000000, 0.0005904200000000 ] - [ 0.0001420500000000, -0.0002419100000000, -0.0003407400000000 ] - [ -0.0001920200000000, 0.0000875200000000, -0.0000645500000000 ] - [ -0.0001104800000000, 0.0001198100000000, -0.0000087400000000 ] - [ 0.0002053700000000, 0.0000139800000000, -0.0001227000000000 ] - [ 0.0002480600000000, 0.0001092800000000, -0.0000360600000000 ] - [ -0.0001713700000000, 0.0000956200000000, 0.0000510200000000 ] - [ 0.0001254300000000, 0.0002062200000000, -0.0002943800000000 ] - [ -0.0002065800000000, -0.0000826500000000, 0.0000058900000000 ] - [ -0.0002678600000000, 0.0001314400000000, -0.0000353300000000 ] - [ 0.0002297100000000, -0.0001953200000000, -0.0000695300000000 ] - [ -0.0000081400000000, -0.0002658300000000, 0.0001974700000000 ] - [ 0.0000230000000000, -0.0012025000000000, -0.0000422900000000 ] - [ -0.0001758600000000, -0.0002332300000000, 0.0001937400000000 ] - [ 0.0002270800000000, 0.0001640400000000, -0.0000088600000000 ] - [ -0.0003573700000000, -0.0004005200000000, -0.0006119400000000 ] - [ 0.0003208300000000, 0.0002278400000000, -0.0001820900000000 ] - [ 0.0003685500000000, -0.0002120200000000, 0.0006861900000000 ] - [ 0.0030094800000000, -0.0003655500000000, -0.0008403500000000 ] - [ -0.0007206600000000, -0.0000502600000000, -0.0001484100000000 ] - [ -0.0005631400000000, 0.0000884500000000, -0.0000851600000000 ] - [ -0.0000526100000000, -0.0003121900000000, -0.0001862300000000 ] - [ 0.0005173300000000, 0.0002060300000000, 0.0002251700000000 ] - [ -0.0001286300000000, 0.0002447700000000, -0.0002623900000000 ] - [ -0.0000762700000000, -0.0004874100000000, -0.0003042600000000 ] - [ -0.0000623600000000, -0.0000642000000000, 0.0000817400000000 ] - [ 0.0033826600000000, -0.0001982100000000, -0.0006865300000000 ] - [ 0.0003979900000000, -0.0001850000000000, 0.0000488400000000 ] - [ 0.0005618800000000, 0.0007198900000000, -0.0001478300000000 ] - [ -0.0002271900000000, -0.0004556400000000, -0.0004978000000000 ] - [ 0.0003429800000000, 0.0001647900000000, 0.0002920100000000 ] - [ 0.0003861000000000, 0.0001163300000000, 0.0003180800000000 ] - [ -0.0000131300000000, 0.0000598100000000, 0.0000275700000000 ] - [ 0.0001350300000000, -0.0000643200000000, 0.0000707100000000 ] - [ -0.0000178800000000, -0.0000782100000000, -0.0001561000000000 ] - [ 0.0000171800000000, -0.0001716200000000, -0.0000977100000000 ] - [ -0.0000874200000000, 0.0004561200000000, 0.0003712100000000 ] - [ 0.0001425800000000, -0.0003973100000000, -0.0002105500000000 ] - [ 0.0002293600000000, 0.0004189900000000, -0.0001517700000000 ] - [ -0.0006863600000000, -0.0001951400000000, -0.0006825200000000 ] - [ 0.0000591500000000, 0.0000931700000000, 0.0001630900000000 ] - [ -0.0003520500000000, -0.0001593400000000, 0.0001102800000000 ] - [ -0.0001409300000000, 0.0003546500000000, 0.0003611000000000 ] - [ -0.0002732000000000, -0.0001362800000000, -0.0004375000000000 ] - [ -0.0005730100000000, 0.0002410800000000, -0.0001532800000000 ] - [ -0.0000048500000000, -0.0000224600000000, 0.0000877600000000 ] - [ 0.0000068100000000, 0.0002631000000000, -0.0000295200000000 ] - [ -0.0015762200000000, -0.0065389600000000, -0.0001247900000000 ] - [ 0.0003401400000000, -0.0000608300000000, 0.0012351600000000 ] - [ 0.0001236500000000, -0.0000892100000000, 0.0001247000000000 ] - [ 0.0001643800000000, 0.0001991800000000, 0.0002632300000000 ] - [ -0.0000178800000000, -0.0001024200000000, 0.0000688800000000 ] - [ -0.0000479600000000, -0.0004539000000000, -0.0001436900000000 ] - [ -0.0001177900000000, 0.0001448200000000, -0.0001332900000000 ] - [ -0.0001603400000000, -0.0001170000000000, -0.0001679200000000 ] - [ -0.0008906400000000, -0.0051804900000000, 0.0011082400000000 ] - [ -0.0001321500000000, -0.0000466500000000, 0.0002066600000000 ] - [ -0.0004581900000000, 0.0001780700000000, -0.0000834700000000 ] - [ 0.0000116200000000, 0.0001553500000000, -0.0001823400000000 ] - [ 0.0001801200000000, -0.0000122900000000, -0.0000940000000000 ] - [ -0.0000766200000000, -0.0004360200000000, 0.0001927700000000 ] - [ 0.0003506000000000, 0.0000912700000000, 0.0000512400000000 ] - [ -0.0001264400000000, 0.0000414600000000, 0.0000769600000000 ] - [ -0.0002233500000000, 0.0004509100000000, 0.0001795500000000 ] - [ -0.0001276100000000, -0.0003065700000000, 0.0000410200000000 ] - [ -0.0000256300000000, -0.0002756000000000, -0.0000900800000000 ] - [ 0.0000508600000000, 0.0000231900000000, 0.0001742900000000 ] - [ 0.0000565000000000, 0.0004000500000000, 0.0005394700000000 ] - [ -0.0001437900000000, -0.0006870700000000, -0.0002406500000000 ] - [ 0.0004847000000000, -0.0000592300000000, -0.0002506400000000 ] - [ -0.0002827800000000, 0.0004244200000000, 0.0002463200000000 ] - [ 0.0000822100000000, -0.0001813200000000, 0.0002022700000000 ] - [ -0.0012054700000000, -0.0003364000000000, 0.0000821600000000 ] - [ 0.0000982700000000, 0.0003822200000000, -0.0002506300000000 ]- atom: 6 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ -0.0002171600000000, 0.0001956300000000, 0.0003338600000000 ] - [ 0.0000808500000000, 0.0000396200000000, 0.0000107400000000 ] - [ 0.0002261500000000, -0.0000775200000000, 0.0000067200000000 ] - [ -0.0001779400000000, 0.0000219200000000, 0.0005687700000000 ] - [ -0.0004148600000000, 0.0001214100000000, 0.0006854800000000 ] - [ 0.0014621600000000, -0.0002490800000000, -0.0128110200000000 ] - [ -0.0002703300000000, -0.0001426200000000, 0.0000229200000000 ] - [ 0.0002088000000000, 0.0006842500000000, 0.0003254700000000 ] - [ -0.0001780300000000, 0.0001856400000000, 0.0002236100000000 ] - [ 0.0002002500000000, -0.0000248300000000, 0.0000075700000000 ] - [ 0.0000573100000000, -0.0002457800000000, -0.0002002200000000 ] - [ 0.0000359600000000, 0.0000571300000000, -0.0001146900000000 ] - [ 0.0001106900000000, -0.0001225400000000, -0.0003899000000000 ] - [ 0.0002431400000000, 0.0000610400000000, -0.0000665100000000 ] - [ -0.0000407500000000, -0.0003203200000000, 0.0000438000000000 ] - [ 0.0000846500000000, -0.0001808500000000, -0.0002563300000000 ] - [ -0.0002165400000000, 0.0000683700000000, 0.0000672900000000 ] - [ -0.0002771000000000, 0.0000175500000000, 0.0001921700000000 ] - [ 0.0002045500000000, 0.0000036000000000, -0.0001077400000000 ] - [ 0.0002044000000000, 0.0001164700000000, 0.0001011200000000 ] - [ -0.0001740600000000, 0.0000769400000000, -0.0000603300000000 ] - [ 0.0000888100000000, 0.0002565200000000, -0.0002850400000000 ] - [ -0.0001712400000000, -0.0000869800000000, 0.0001950600000000 ] - [ -0.0002617200000000, 0.0001193200000000, 0.0000470000000000 ] - [ 0.0002479600000000, -0.0003141800000000, -0.0001192800000000 ] - [ -0.0000432900000000, -0.0001505800000000, 0.0003355000000000 ] - [ 0.0002294500000000, -0.0001846600000000, 0.0001211200000000 ] - [ -0.0001848900000000, -0.0002966800000000, 0.0001215600000000 ] - [ 0.0001905700000000, 0.0001607300000000, 0.0001459800000000 ] - [ -0.0001338600000000, 0.0005531800000000, -0.0000505600000000 ] - [ 0.0002164100000000, 0.0002621200000000, -0.0001416300000000 ] - [ 0.0002107100000000, -0.0007903900000000, 0.0001337200000000 ] - [ 0.0000094600000000, 0.0002910600000000, -0.0001660300000000 ] - [ 0.0020784300000000, 0.0004555400000000, -0.0012793400000000 ] - [ -0.0005033100000000, 0.0000045300000000, 0.0000019100000000 ] - [ 0.0009888600000000, 0.0009156100000000, 0.0008859700000000 ] - [ -0.0003348700000000, -0.0002340600000000, -0.0011185400000000 ] - [ 0.0000209800000000, 0.0002900100000000, -0.0001609300000000 ] - [ -0.0002553100000000, -0.0002098400000000, -0.0001907100000000 ] - [ -0.0004737500000000, -0.0004414300000000, 0.0003482200000000 ] - [ 0.0004895900000000, 0.0012432100000000, -0.0006236200000000 ] - [ 0.0003674400000000, 0.0000580000000000, 0.0000658500000000 ] - [ 0.0001353800000000, 0.0008684600000000, 0.0005696300000000 ] - [ -0.0002778500000000, 0.0001144300000000, -0.0002475600000000 ] - [ 0.0003417800000000, 0.0001170800000000, 0.0003300500000000 ] - [ 0.0001966200000000, -0.0000293200000000, 0.0001117500000000 ] - [ -0.0001056800000000, -0.0002281300000000, -0.0000232200000000 ] - [ -0.0000389100000000, 0.0000792700000000, 0.0002091900000000 ] - [ -0.0000808500000000, 0.0000302300000000, -0.0003230200000000 ] - [ -0.0000062500000000, -0.0001691200000000, -0.0002117600000000 ] - [ 0.0001692600000000, 0.0000558000000000, 0.0003634600000000 ] - [ 0.0001759700000000, -0.0004697300000000, -0.0001971600000000 ] - [ 0.0002493000000000, 0.0000639300000000, -0.0001086900000000 ] - [ 0.0016915100000000, 0.0005102300000000, 0.0079164100000000 ] - [ 0.0002464000000000, 0.0001850800000000, 0.0000190000000000 ] - [ 0.0001723700000000, 0.0002097800000000, 0.0003916200000000 ] - [ 0.0003848700000000, -0.0002662200000000, 0.0001664100000000 ] - [ -0.0002581300000000, -0.0001636200000000, -0.0003037300000000 ] - [ -0.0001338300000000, -0.0001130600000000, -0.0001293400000000 ] - [ 0.0000023800000000, 0.0002579100000000, 0.0004944900000000 ] - [ -0.0000765400000000, 0.0001037700000000, -0.0000309300000000 ] - [ -0.0001650000000000, -0.0002530400000000, 0.0002197300000000 ] - [ -0.0001162800000000, -0.0013448300000000, 0.0012367900000000 ] - [ 0.0001124800000000, 0.0000106000000000, 0.0001301300000000 ] - [ -0.0000194100000000, -0.0001781300000000, 0.0002145700000000 ] - [ -0.0000092900000000, -0.0001067100000000, 0.0000107900000000 ] - [ -0.0000245800000000, -0.0001765600000000, -0.0003209500000000 ] - [ 0.0000516400000000, 0.0001274200000000, -0.0003963100000000 ] - [ -0.0002641900000000, -0.0002079900000000, -0.0006554600000000 ] - [ -0.0002152100000000, -0.0011298700000000, 0.0007451000000000 ] - [ -0.0001570500000000, 0.0000013000000000, 0.0001156600000000 ] - [ -0.0004154400000000, 0.0003243400000000, -0.0002584200000000 ] - [ 0.0000262400000000, 0.0001629700000000, -0.0002676700000000 ] - [ -0.0003137500000000, -0.0001921400000000, 0.0001071000000000 ] - [ -0.0010640900000000, -0.0004269300000000, 0.0001782400000000 ] - [ 0.0005368200000000, 0.0002423800000000, 0.0000660200000000 ] - [ 0.0001992900000000, 0.0000728300000000, -0.0001019000000000 ] - [ -0.0001171500000000, 0.0005184700000000, 0.0001995300000000 ] - [ -0.0003608800000000, -0.0002868600000000, -0.0001821700000000 ] - [ 0.0000580600000000, -0.0003069300000000, -0.0000735400000000 ] - [ 0.0001129400000000, -0.0000200400000000, 0.0000968600000000 ] - [ 0.0001729100000000, 0.0001301500000000, 0.0002907300000000 ] - [ -0.0028019600000000, -0.0003482200000000, 0.0012881700000000 ] - [ 0.0006008600000000, 0.0000255500000000, -0.0003743000000000 ] - [ -0.0000971300000000, 0.0002476100000000, 0.0000894400000000 ] - [ -0.0000110000000000, -0.0000755600000000, 0.0000391500000000 ] - [ -0.0026089200000000, -0.0006172200000000, 0.0020458600000000 ] - [ 0.0001737300000000, 0.0004635700000000, -0.0002886800000000 ]- atom: 6 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ 0.0000497500000000, 0.0002970500000000, 0.0002292800000000 ] - [ 0.0000432000000000, 0.0000920700000000, 0.0000120600000000 ] - [ 0.0002278500000000, -0.0000872700000000, -0.0000230600000000 ] - [ -0.0002438100000000, -0.0000261400000000, -0.0003418400000000 ] - [ 0.0003566400000000, -0.0000699700000000, -0.0004354900000000 ] - [ -0.0021107800000000, -0.0000613300000000, 0.0125630100000000 ] - [ -0.0001508300000000, 0.0001451300000000, 0.0002056000000000 ] - [ -0.0000845700000000, -0.0008233700000000, -0.0002997500000000 ] - [ -0.0002367100000000, 0.0002502100000000, 0.0000521400000000 ] - [ 0.0002385500000000, -0.0001823200000000, 0.0000102100000000 ] - [ 0.0003650900000000, 0.0002491300000000, -0.0000294900000000 ] - [ 0.0000213400000000, -0.0000055000000000, -0.0001283900000000 ] - [ -0.0005500800000000, -0.0000863500000000, 0.0003755700000000 ] - [ 0.0002110400000000, 0.0001011200000000, 0.0000499600000000 ] - [ -0.0000148000000000, 0.0002702900000000, 0.0002023000000000 ] - [ 0.0000803000000000, -0.0003136700000000, -0.0003042900000000 ] - [ -0.0002218600000000, 0.0001382400000000, -0.0000850800000000 ] - [ 0.0001541800000000, 0.0001131400000000, -0.0002205800000000 ] - [ 0.0002169000000000, -0.0000070600000000, -0.0001189900000000 ] - [ 0.0002349200000000, 0.0000911800000000, -0.0000832200000000 ] - [ -0.0002790300000000, 0.0000867900000000, 0.0000777500000000 ] - [ 0.0000766900000000, 0.0002362400000000, -0.0002708500000000 ] - [ -0.0002830100000000, -0.0000759000000000, -0.0001784500000000 ] - [ -0.0002081200000000, 0.0001690800000000, -0.0000631900000000 ] - [ 0.0001692600000000, -0.0001221600000000, -0.0001570600000000 ] - [ -0.0001209400000000, -0.0003431900000000, 0.0002208700000000 ] - [ 0.0002414800000000, -0.0001049800000000, -0.0001035400000000 ] - [ -0.0002349300000000, -0.0001398200000000, 0.0001574900000000 ] - [ 0.0002809200000000, 0.0001271200000000, -0.0001285000000000 ] - [ 0.0000106000000000, -0.0006833500000000, 0.0000270000000000 ] - [ 0.0002033700000000, 0.0001744100000000, -0.0001363100000000 ] - [ -0.0001524000000000, 0.0007346600000000, -0.0003761400000000 ] - [ -0.0000001400000000, -0.0002666000000000, 0.0000955700000000 ] - [ -0.0028865200000000, -0.0005098000000000, 0.0011363300000000 ] - [ -0.0003083400000000, 0.0000558000000000, -0.0001447900000000 ] - [ -0.0014421100000000, -0.0010002900000000, -0.0013393300000000 ] - [ 0.0007946500000000, -0.0001369900000000, 0.0016696800000000 ] - [ -0.0004873600000000, 0.0000764500000000, -0.0003901300000000 ] - [ -0.0002073900000000, -0.0001624900000000, -0.0003562800000000 ] - [ 0.0004564900000000, 0.0004142300000000, -0.0002717900000000 ] - [ -0.0004971600000000, -0.0012229100000000, 0.0006949200000000 ] - [ 0.0004459800000000, -0.0001197900000000, 0.0000784900000000 ] - [ 0.0003176800000000, -0.0007884400000000, -0.0001258900000000 ] - [ -0.0001732000000000, -0.0000356200000000, -0.0001963300000000 ] - [ 0.0001208100000000, 0.0002529400000000, 0.0002226100000000 ] - [ 0.0002524100000000, -0.0000457300000000, 0.0003338200000000 ] - [ 0.0001219600000000, 0.0002000700000000, -0.0000515100000000 ] - [ 0.0008499800000000, -0.0000205500000000, -0.0000688100000000 ] - [ 0.0000342200000000, -0.0000920400000000, -0.0000451800000000 ] - [ 0.0000317500000000, -0.0000949400000000, 0.0000655800000000 ] - [ 0.0001767400000000, 0.0002873200000000, 0.0002596300000000 ] - [ 0.0001185700000000, -0.0003906600000000, -0.0002137800000000 ] - [ 0.0002349500000000, 0.0000622500000000, -0.0002863500000000 ] - [ -0.0020440700000000, -0.0003450300000000, -0.0072613000000000 ] - [ -0.0001976000000000, 0.0000736700000000, 0.0003311800000000 ] - [ 0.0001099100000000, -0.0000523700000000, -0.0000861800000000 ] - [ 0.0004818300000000, -0.0000345400000000, 0.0000077400000000 ] - [ -0.0000867600000000, -0.0001799300000000, -0.0003175900000000 ] - [ -0.0001491900000000, 0.0002694800000000, -0.0001732300000000 ] - [ -0.0000258800000000, 0.0000062500000000, -0.0003463200000000 ] - [ 0.0000972900000000, 0.0001594800000000, -0.0001146500000000 ] - [ 0.0001201700000000, 0.0000142200000000, -0.0005681700000000 ] - [ 0.0002396600000000, 0.0008268800000000, -0.0005983000000000 ] - [ 0.0001710600000000, -0.0001692400000000, 0.0001742200000000 ] - [ 0.0000678000000000, 0.0002402800000000, 0.0001539000000000 ] - [ -0.0000112900000000, -0.0001579200000000, 0.0001356700000000 ] - [ -0.0001236300000000, -0.0003538800000000, -0.0003653600000000 ] - [ -0.0002023800000000, 0.0004040500000000, -0.0002905700000000 ] - [ -0.0000165200000000, 0.0000500600000000, 0.0003530300000000 ] - [ 0.0002641400000000, 0.0008625500000000, -0.0003866300000000 ] - [ -0.0003274000000000, -0.0001281500000000, 0.0002786600000000 ] - [ -0.0004476300000000, -0.0000265400000000, 0.0000853500000000 ] - [ -0.0000766900000000, 0.0000963100000000, -0.0000806900000000 ] - [ 0.0002668800000000, 0.0002524700000000, -0.0004736500000000 ] - [ 0.0007709600000000, -0.0004342200000000, 0.0002352100000000 ] - [ 0.0003255600000000, 0.0000576900000000, 0.0001110200000000 ] - [ -0.0000934400000000, 0.0005100500000000, -0.0000326600000000 ] - [ -0.0001764100000000, 0.0003406900000000, 0.0002107400000000 ] - [ 0.0002612800000000, -0.0002984700000000, 0.0003188100000000 ] - [ 0.0000450800000000, -0.0002779900000000, -0.0000614600000000 ] - [ -0.0000654800000000, -0.0000414400000000, 0.0002727100000000 ] - [ -0.0000231000000000, 0.0003996200000000, 0.0003967800000000 ] - [ 0.0019098000000000, 0.0000540900000000, -0.0014672300000000 ] - [ -0.0001131400000000, -0.0001509300000000, -0.0000228000000000 ] - [ -0.0000057600000000, 0.0003376400000000, 0.0000481200000000 ] - [ 0.0003611300000000, -0.0002693800000000, 0.0005842400000000 ] - [ 0.0023294400000000, 0.0009633500000000, -0.0026939500000000 ] - [ 0.0001202400000000, 0.0003955400000000, -0.0001221700000000 ]- atom: 9 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ -0.0000435000000000, 0.0001966500000000, 0.0005460900000000 ] - [ 0.0001135200000000, 0.0000676000000000, 0.0000440100000000 ] - [ 0.0001905200000000, -0.0001071700000000, -0.0000086400000000 ] - [ 0.0002171900000000, -0.0000068500000000, -0.0001632000000000 ] - [ 0.0013897900000000, 0.0000458000000000, 0.0006846000000000 ] - [ 0.0002747800000000, -0.0002451000000000, 0.0000480900000000 ] - [ -0.0000494800000000, -0.0000343200000000, 0.0001740700000000 ] - [ 0.0001425300000000, -0.0001168300000000, 0.0000121700000000 ] - [ -0.0145212100000000, -0.0000445200000000, 0.0008866500000000 ] - [ 0.0001672200000000, -0.0001577500000000, -0.0000150700000000 ] - [ 0.0002714500000000, -0.0003584900000000, -0.0001482900000000 ] - [ 0.0000658300000000, 0.0000437800000000, -0.0001159500000000 ] - [ -0.0006879200000000, -0.0001685100000000, -0.0002670900000000 ] - [ 0.0001107300000000, 0.0003388100000000, -0.0000549100000000 ] - [ 0.0000042000000000, 0.0000122300000000, 0.0000662000000000 ] - [ 0.0000039200000000, -0.0002467100000000, -0.0002764700000000 ] - [ -0.0002676100000000, 0.0002020300000000, 0.0000699700000000 ] - [ 0.0000784000000000, 0.0000434300000000, 0.0000305400000000 ] - [ 0.0002313800000000, -0.0000078500000000, -0.0001285100000000 ] - [ 0.0001878500000000, 0.0001102900000000, 0.0000278600000000 ] - [ -0.0004082300000000, -0.0004004200000000, 0.0002202900000000 ] - [ 0.0001252200000000, 0.0003153300000000, -0.0002750400000000 ] - [ -0.0005513300000000, -0.0000513000000000, -0.0002866800000000 ] - [ -0.0001532300000000, 0.0001770900000000, 0.0000211400000000 ] - [ 0.0001690800000000, 0.0003257100000000, -0.0002470500000000 ] - [ -0.0002022600000000, -0.0007978300000000, 0.0002325600000000 ] - [ 0.0002676500000000, -0.0000317500000000, 0.0000170800000000 ] - [ -0.0002892700000000, -0.0002112300000000, 0.0000840300000000 ] - [ 0.0003365400000000, 0.0001235200000000, 0.0000538800000000 ] - [ 0.0001540800000000, -0.0001339100000000, 0.0000425500000000 ] - [ 0.0001528600000000, 0.0002391800000000, -0.0001750300000000 ] - [ 0.0001506100000000, 0.0000648600000000, -0.0001357400000000 ] - [ 0.0003845000000000, 0.0001297300000000, 0.0000465100000000 ] - [ 0.0013091600000000, -0.0004097000000000, 0.0015508300000000 ] - [ -0.0002853900000000, -0.0001127300000000, -0.0000869000000000 ] - [ -0.0006138200000000, -0.0001305300000000, -0.0002689100000000 ] - [ 0.0013293800000000, 0.0003195300000000, 0.0007752000000000 ] - [ -0.0005556400000000, -0.0005143900000000, -0.0001693200000000 ] - [ -0.0003302700000000, 0.0000167800000000, -0.0001361300000000 ] - [ 0.0008297300000000, 0.0001890100000000, 0.0000987300000000 ] - [ 0.0002652900000000, 0.0022943600000000, -0.0003793400000000 ] - [ 0.0005083800000000, -0.0000736400000000, -0.0000602600000000 ] - [ 0.0002368700000000, 0.0002001700000000, 0.0002845100000000 ] - [ -0.0004687500000000, 0.0008443100000000, 0.0000758700000000 ] - [ 0.0001259100000000, 0.0001778400000000, 0.0002277200000000 ] - [ 0.0001094600000000, -0.0001651000000000, 0.0003772000000000 ] - [ 0.0000826000000000, 0.0001683700000000, -0.0000848000000000 ] - [ 0.0003045400000000, -0.0004427000000000, -0.0001528300000000 ] - [ -0.0000783900000000, 0.0000642600000000, -0.0000206100000000 ] - [ 0.0002616700000000, -0.0000706200000000, -0.0000434100000000 ] - [ 0.0004049500000000, -0.0000321200000000, 0.0002221400000000 ] - [ 0.0002218600000000, -0.0004258300000000, -0.0001295100000000 ] - [ 0.0002308900000000, 0.0000116300000000, -0.0001929400000000 ] - [ -0.0009660600000000, -0.0000212100000000, 0.0000049800000000 ] - [ -0.0000734200000000, 0.0001530600000000, 0.0001756400000000 ] - [ -0.0000814100000000, -0.0001229700000000, 0.0000417100000000 ] - [ 0.0003418500000000, -0.0002130300000000, 0.0000877900000000 ] - [ -0.0001390900000000, -0.0000372200000000, -0.0003347300000000 ] - [ -0.0001158300000000, -0.0002379100000000, -0.0001942800000000 ] - [ 0.0007936000000000, 0.0004654900000000, 0.0032971900000000 ] - [ 0.0001441800000000, 0.0000571400000000, 0.0000174000000000 ] - [ -0.0002688700000000, -0.0001283500000000, -0.0001868800000000 ] - [ 0.0000738700000000, -0.0002179200000000, 0.0004345700000000 ] - [ 0.0001379000000000, -0.0000765000000000, 0.0001425500000000 ] - [ -0.0000205300000000, 0.0000024000000000, 0.0002004900000000 ] - [ 0.0000877300000000, -0.0000364500000000, 0.0001718900000000 ] - [ -0.0001856100000000, -0.0002574400000000, -0.0003508500000000 ] - [ -0.0001682600000000, 0.0002426600000000, -0.0004044200000000 ] - [ -0.0006555300000000, 0.0003033200000000, 0.0004792200000000 ] - [ -0.0004442100000000, -0.0006525900000000, 0.0003403500000000 ] - [ -0.0003306600000000, -0.0000315800000000, 0.0002018400000000 ] - [ -0.0004871300000000, 0.0000495400000000, -0.0001324100000000 ] - [ -0.0001769200000000, 0.0000412200000000, -0.0002142500000000 ] - [ -0.0003265100000000, 0.0003651700000000, -0.0005269300000000 ] - [ 0.0042857700000000, -0.0003687500000000, -0.0033745400000000 ] - [ 0.0005304400000000, 0.0000517000000000, 0.0001444200000000 ] - [ -0.0000347600000000, 0.0001177100000000, -0.0001928700000000 ] - [ -0.0001490600000000, 0.0005234700000000, 0.0001555800000000 ] - [ 0.0001258700000000, -0.0002948000000000, -0.0000217000000000 ] - [ 0.0001903900000000, -0.0002895400000000, -0.0000622700000000 ] - [ 0.0000377700000000, -0.0000718400000000, 0.0002855800000000 ] - [ -0.0000310800000000, 0.0000263300000000, 0.0002327100000000 ] - [ 0.0047797100000000, -0.0016415200000000, -0.0025801200000000 ] - [ 0.0001737300000000, 0.0002366400000000, -0.0002575300000000 ] - [ 0.0005120300000000, -0.0003963800000000, -0.0000830000000000 ] - [ 0.0002526200000000, -0.0000875400000000, 0.0002849900000000 ] - [ -0.0002547700000000, 0.0000744700000000, -0.0006133400000000 ] - [ 0.0005380300000000, 0.0012488700000000, -0.0000666400000000 ]- atom: 9 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0001216600000000, 0.0002968400000000, 0.0000156700000000 ] - [ 0.0000105700000000, 0.0000649700000000, -0.0000216800000000 ] - [ 0.0002650600000000, -0.0000568800000000, -0.0000088000000000 ] - [ -0.0006368100000000, 0.0000037100000000, 0.0003911300000000 ] - [ -0.0014269700000000, 0.0000054900000000, -0.0004325800000000 ] - [ -0.0007445300000000, -0.0000428200000000, -0.0000656600000000 ] - [ -0.0003706900000000, 0.0000365500000000, 0.0000529800000000 ] - [ -0.0000169300000000, -0.0000138800000000, 0.0000111700000000 ] - [ 0.0139908600000000, 0.0004777200000000, -0.0005439900000000 ] - [ 0.0002723400000000, -0.0000494700000000, 0.0000326300000000 ] - [ 0.0001514000000000, 0.0003598100000000, -0.0000812800000000 ] - [ -0.0000073900000000, 0.0000086500000000, -0.0001281700000000 ] - [ 0.0002501700000000, -0.0000398200000000, 0.0002485100000000 ] - [ 0.0003451000000000, -0.0001757300000000, 0.0000383400000000 ] - [ -0.0000593100000000, -0.0000644700000000, 0.0001772400000000 ] - [ 0.0001646300000000, -0.0002466400000000, -0.0002849300000000 ] - [ -0.0001704700000000, 0.0000052900000000, -0.0000884900000000 ] - [ -0.0002007700000000, 0.0000877200000000, -0.0000533200000000 ] - [ 0.0001915300000000, 0.0000057400000000, -0.0000999900000000 ] - [ 0.0002517800000000, 0.0000987700000000, -0.0000105400000000 ] - [ -0.0000424300000000, 0.0005649900000000, -0.0002042900000000 ] - [ 0.0000428100000000, 0.0001786700000000, -0.0002806100000000 ] - [ 0.0000984600000000, -0.0001114900000000, 0.0003042800000000 ] - [ -0.0003157600000000, 0.0001115100000000, -0.0000381300000000 ] - [ 0.0002488000000000, -0.0007640100000000, -0.0000294600000000 ] - [ 0.0000377700000000, 0.0003069200000000, 0.0003238700000000 ] - [ 0.0002035700000000, -0.0002567600000000, 0.0000003000000000 ] - [ -0.0001276600000000, -0.0002250800000000, 0.0001960300000000 ] - [ 0.0001351900000000, 0.0001650800000000, -0.0000363900000000 ] - [ -0.0002764900000000, 0.0000015600000000, -0.0000656100000000 ] - [ 0.0002671900000000, 0.0001972500000000, -0.0001055900000000 ] - [ -0.0000923400000000, -0.0001151700000000, -0.0001087200000000 ] - [ -0.0003662000000000, -0.0001056800000000, -0.0001185500000000 ] - [ -0.0021336800000000, 0.0003499100000000, -0.0016967300000000 ] - [ -0.0005264300000000, 0.0001716400000000, -0.0000560100000000 ] - [ 0.0001676100000000, 0.0000483800000000, -0.0001688400000000 ] - [ -0.0008628900000000, -0.0006892800000000, -0.0002341200000000 ] - [ 0.0000948000000000, 0.0008827700000000, -0.0003806600000000 ] - [ -0.0001321400000000, -0.0003884900000000, -0.0004111400000000 ] - [ -0.0008497500000000, -0.0002139800000000, -0.0000286300000000 ] - [ -0.0002765500000000, -0.0022637500000000, 0.0004478600000000 ] - [ 0.0003066500000000, 0.0000156100000000, 0.0002015000000000 ] - [ 0.0002141600000000, -0.0001171400000000, 0.0001536500000000 ] - [ 0.0000134600000000, -0.0007624300000000, -0.0005175300000000 ] - [ 0.0003383800000000, 0.0001949500000000, 0.0003218300000000 ] - [ 0.0003414100000000, 0.0000881300000000, 0.0000676500000000 ] - [ -0.0000643400000000, -0.0001965100000000, 0.0000083700000000 ] - [ 0.0005030700000000, 0.0004993800000000, 0.0002927400000000 ] - [ 0.0000323700000000, -0.0001265600000000, -0.0003481500000000 ] - [ -0.0002368600000000, -0.0001926700000000, -0.0001035400000000 ] - [ -0.0000558700000000, 0.0003748900000000, 0.0003985400000000 ] - [ 0.0000733400000000, -0.0004338900000000, -0.0002823900000000 ] - [ 0.0002556200000000, 0.0001146500000000, -0.0002016500000000 ] - [ 0.0004810300000000, 0.0001471200000000, 0.0003917000000000 ] - [ 0.0001250900000000, 0.0001068600000000, 0.0001729000000000 ] - [ 0.0003642900000000, 0.0002803800000000, 0.0002630800000000 ] - [ 0.0005236100000000, -0.0000865500000000, 0.0000871300000000 ] - [ -0.0002049400000000, -0.0003054600000000, -0.0002881800000000 ] - [ -0.0001648100000000, 0.0003931600000000, -0.0001090200000000 ] - [ -0.0008108500000000, -0.0002063400000000, -0.0031872900000000 ] - [ -0.0001229800000000, 0.0002064200000000, -0.0001641700000000 ] - [ 0.0002210400000000, -0.0001316100000000, -0.0001628900000000 ] - [ 0.0000761600000000, -0.0003135300000000, 0.0002530200000000 ] - [ 0.0001465900000000, -0.0000813000000000, 0.0001605200000000 ] - [ 0.0000692500000000, 0.0000603800000000, 0.0001676500000000 ] - [ -0.0001063900000000, -0.0002278600000000, -0.0000269500000000 ] - [ 0.0000378500000000, -0.0002735000000000, -0.0003366500000000 ] - [ 0.0000208900000000, 0.0002887000000000, -0.0002827600000000 ] - [ 0.0003753300000000, -0.0004576800000000, -0.0007860000000000 ] - [ 0.0004964400000000, 0.0003936700000000, 0.0000078100000000 ] - [ -0.0001530200000000, -0.0000940900000000, 0.0001923700000000 ] - [ -0.0003751100000000, 0.0002507200000000, -0.0000426200000000 ] - [ 0.0001281000000000, 0.0002185000000000, -0.0001353500000000 ] - [ 0.0002836700000000, -0.0003032400000000, 0.0001597600000000 ] - [ -0.0047716900000000, -0.0004850300000000, 0.0039172400000000 ] - [ 0.0003337500000000, 0.0002492400000000, 0.0000320600000000 ] - [ 0.0001398600000000, 0.0004665600000000, 0.0000586800000000 ] - [ -0.0001433200000000, 0.0003369500000000, 0.0002560100000000 ] - [ -0.0002282200000000, -0.0002899000000000, 0.0001551100000000 ] - [ -0.0000858600000000, -0.0002951200000000, -0.0000743300000000 ] - [ 0.0000111500000000, 0.0000084000000000, 0.0000852300000000 ] - [ 0.0001814800000000, 0.0005023000000000, 0.0004532600000000 ] - [ -0.0054651800000000, 0.0013300800000000, 0.0022784200000000 ] - [ 0.0003114100000000, -0.0003594200000000, -0.0001415900000000 ] - [ -0.0006099400000000, 0.0009583600000000, 0.0002184100000000 ] - [ 0.0000963500000000, -0.0002547100000000, 0.0003370200000000 ] - [ -0.0000957800000000, 0.0002686200000000, -0.0000099000000000 ] - [ -0.0002384600000000, -0.0003660600000000, -0.0003478100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000524700000000, 0.0002907800000000, 0.0003673800000000 ] - [ 0.0000238700000000, 0.0002745300000000, 0.0000753100000000 ] - [ 0.0002917400000000, -0.0000227100000000, -0.0000618700000000 ] - [ -0.0002219900000000, 0.0000592100000000, 0.0001364900000000 ] - [ 0.0000274800000000, -0.0003466600000000, 0.0001892100000000 ] - [ -0.0001398200000000, -0.0001429000000000, -0.0000355900000000 ] - [ -0.0001695100000000, 0.0000076000000000, 0.0000776000000000 ] - [ 0.0000495000000000, -0.0000567100000000, -0.0000167700000000 ] - [ -0.0004962900000000, -0.0148792200000000, -0.0010304200000000 ] - [ 0.0001890400000000, -0.0000472600000000, 0.0000234400000000 ] - [ -0.0003009400000000, 0.0001277900000000, 0.0002721500000000 ] - [ 0.0000357900000000, 0.0000290300000000, -0.0001336200000000 ] - [ -0.0002951900000000, -0.0001254200000000, -0.0000361600000000 ] - [ 0.0003815500000000, 0.0001737700000000, 0.0003658200000000 ] - [ 0.0000061500000000, -0.0000340300000000, 0.0000597200000000 ] - [ 0.0000852900000000, -0.0002252300000000, -0.0003398200000000 ] - [ -0.0000507600000000, 0.0003134300000000, 0.0006171400000000 ] - [ -0.0000551200000000, 0.0000588600000000, 0.0000002000000000 ] - [ 0.0001875400000000, -0.0000158700000000, -0.0002164000000000 ] - [ 0.0002627300000000, 0.0001095200000000, -0.0000201800000000 ] - [ -0.0006745700000000, 0.0003225400000000, -0.0007938100000000 ] - [ 0.0000195300000000, 0.0012947500000000, -0.0002139400000000 ] - [ -0.0002336600000000, -0.0001274500000000, 0.0000447000000000 ] - [ -0.0002218200000000, 0.0001566900000000, 0.0000708900000000 ] - [ 0.0007502600000000, -0.0001724800000000, -0.0003592200000000 ] - [ -0.0005621200000000, -0.0001400200000000, 0.0005011600000000 ] - [ 0.0003285900000000, -0.0001566400000000, -0.0000301200000000 ] - [ -0.0002164000000000, -0.0002353300000000, 0.0001014400000000 ] - [ 0.0001935200000000, 0.0001193100000000, -0.0000898400000000 ] - [ 0.0000174600000000, -0.0000582300000000, -0.0000420100000000 ] - [ 0.0001886700000000, 0.0002067200000000, -0.0001736600000000 ] - [ -0.0000538100000000, -0.0000244700000000, -0.0000766300000000 ] - [ 0.0001262000000000, 0.0001082900000000, 0.0000494800000000 ] - [ -0.0005446000000000, -0.0000884600000000, 0.0000210400000000 ] - [ -0.0003734600000000, -0.0000110200000000, -0.0000592400000000 ] - [ -0.0002127500000000, -0.0001377100000000, -0.0002720900000000 ] - [ 0.0005413000000000, -0.0000606400000000, 0.0003410800000000 ] - [ -0.0002251800000000, -0.0003862000000000, -0.0008244700000000 ] - [ -0.0003509300000000, -0.0000568200000000, -0.0005260000000000 ] - [ -0.0002827100000000, 0.0000700200000000, 0.0000487600000000 ] - [ 0.0004321800000000, -0.0006442800000000, -0.0004407400000000 ] - [ 0.0004591900000000, 0.0001231600000000, -0.0000437100000000 ] - [ 0.0001555100000000, 0.0000414900000000, 0.0002363000000000 ] - [ 0.0027508100000000, 0.0005754500000000, -0.0010995900000000 ] - [ 0.0001307800000000, 0.0002215100000000, 0.0002681200000000 ] - [ 0.0003345100000000, -0.0001430700000000, 0.0002613200000000 ] - [ -0.0000177400000000, 0.0000033300000000, -0.0000684200000000 ] - [ -0.0012248000000000, 0.0005082800000000, -0.0022744000000000 ] - [ -0.0000329500000000, -0.0000072200000000, -0.0001799000000000 ] - [ -0.0000654800000000, -0.0000279200000000, 0.0001753900000000 ] - [ -0.0002343200000000, -0.0003698800000000, 0.0007726700000000 ] - [ 0.0001493000000000, -0.0004756900000000, -0.0000843100000000 ] - [ 0.0002198300000000, 0.0000146600000000, -0.0001137800000000 ] - [ -0.0002536200000000, 0.0000714200000000, 0.0002256800000000 ] - [ 0.0000230500000000, 0.0002167700000000, 0.0001034000000000 ] - [ 0.0001907600000000, 0.0000924200000000, 0.0000574900000000 ] - [ 0.0004508500000000, -0.0001751200000000, 0.0000854700000000 ] - [ -0.0002281500000000, -0.0002097300000000, -0.0003141400000000 ] - [ -0.0001677800000000, 0.0000263700000000, 0.0000733300000000 ] - [ 0.0004556800000000, -0.0000053600000000, 0.0012783300000000 ] - [ 0.0000425700000000, -0.0001635200000000, 0.0000071000000000 ] - [ -0.0001680900000000, -0.0001498600000000, -0.0001677000000000 ] - [ 0.0000917400000000, -0.0002127200000000, 0.0004132400000000 ] - [ 0.0001777900000000, -0.0001054500000000, 0.0001613700000000 ] - [ 0.0000475900000000, -0.0001001900000000, 0.0001100400000000 ] - [ 0.0000998500000000, -0.0001637800000000, 0.0000077400000000 ] - [ -0.0001044300000000, -0.0003457200000000, -0.0003684500000000 ] - [ -0.0000711800000000, 0.0002657400000000, -0.0003606000000000 ] - [ 0.0002740500000000, -0.0000927500000000, 0.0003416300000000 ] - [ -0.0000818300000000, 0.0001818700000000, 0.0003530600000000 ] - [ -0.0002382700000000, -0.0000663500000000, 0.0002063300000000 ] - [ -0.0004008700000000, 0.0001751700000000, -0.0000922500000000 ] - [ 0.0000127600000000, 0.0000972600000000, -0.0001955400000000 ] - [ 0.0001616500000000, 0.0001153500000000, -0.0001993800000000 ] - [ -0.0000531400000000, -0.0002547200000000, 0.0000282400000000 ] - [ 0.0004221600000000, 0.0001569600000000, 0.0001042500000000 ] - [ 0.0000811000000000, 0.0003019300000000, -0.0000112500000000 ] - [ -0.0001684000000000, 0.0004953200000000, 0.0001797200000000 ] - [ -0.0000276900000000, -0.0002483600000000, 0.0001115600000000 ] - [ 0.0000273500000000, -0.0002652500000000, -0.0001424100000000 ] - [ 0.0002448200000000, -0.0007064300000000, 0.0008138100000000 ] - [ -0.0004956100000000, 0.0001494300000000, 0.0002701200000000 ] - [ -0.0014549600000000, 0.0005934500000000, 0.0004073900000000 ] - [ 0.0006889100000000, -0.0000785000000000, 0.0000199200000000 ] - [ -0.0016185900000000, 0.0075002400000000, 0.0002898900000000 ] - [ 0.0001829100000000, 0.0000121000000000, 0.0005407500000000 ] - [ -0.0003071800000000, 0.0001430400000000, -0.0003476200000000 ] - [ 0.0011352000000000, 0.0067577700000000, 0.0005894000000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001099900000000, 0.0002018200000000, 0.0001949700000000 ] - [ 0.0001025900000000, -0.0001407600000000, -0.0000454700000000 ] - [ 0.0001630700000000, -0.0001413600000000, 0.0000422100000000 ] - [ -0.0001951800000000, -0.0000649400000000, 0.0000887900000000 ] - [ -0.0000824700000000, 0.0003967800000000, 0.0000542700000000 ] - [ -0.0003333100000000, -0.0001430300000000, 0.0000210700000000 ] - [ -0.0002486200000000, -0.0000021700000000, 0.0001478600000000 ] - [ 0.0000786000000000, -0.0000745100000000, 0.0000493200000000 ] - [ 0.0000396500000000, 0.0152336000000000, 0.0013448100000000 ] - [ 0.0002446400000000, -0.0001648500000000, -0.0000042300000000 ] - [ 0.0007234300000000, -0.0001234500000000, -0.0005022400000000 ] - [ 0.0000168500000000, 0.0000231000000000, -0.0001127900000000 ] - [ -0.0001385800000000, -0.0000870500000000, 0.0000165500000000 ] - [ 0.0000728800000000, -0.0000106400000000, -0.0003877400000000 ] - [ -0.0000590300000000, -0.0000173300000000, 0.0001844600000000 ] - [ 0.0000793700000000, -0.0002671000000000, -0.0002228800000000 ] - [ -0.0003847400000000, -0.0001028400000000, -0.0006336900000000 ] - [ -0.0000728800000000, 0.0000742100000000, -0.0000365000000000 ] - [ 0.0002317900000000, 0.0000117200000000, -0.0000102700000000 ] - [ 0.0001735500000000, 0.0001018800000000, 0.0000379000000000 ] - [ 0.0002158900000000, -0.0001554300000000, 0.0008062900000000 ] - [ 0.0001446700000000, -0.0007996800000000, -0.0003439100000000 ] - [ -0.0002213900000000, -0.0000348200000000, -0.0000269200000000 ] - [ -0.0002502200000000, 0.0001309500000000, -0.0000850800000000 ] - [ -0.0003340300000000, -0.0002642700000000, 0.0000867400000000 ] - [ 0.0003960900000000, -0.0003518300000000, 0.0000559200000000 ] - [ 0.0001440100000000, -0.0001301400000000, 0.0000436100000000 ] - [ -0.0002064900000000, -0.0002027800000000, 0.0001709100000000 ] - [ 0.0002800100000000, 0.0001679600000000, 0.0001031000000000 ] - [ -0.0001420600000000, -0.0000742900000000, 0.0000138800000000 ] - [ 0.0002352100000000, 0.0002323700000000, -0.0000995200000000 ] - [ 0.0001056800000000, -0.0000243600000000, -0.0001708200000000 ] - [ -0.0001046200000000, -0.0000813900000000, -0.0001201600000000 ] - [ -0.0002668200000000, 0.0000300100000000, -0.0001547900000000 ] - [ -0.0004370400000000, 0.0000731000000000, -0.0000880200000000 ] - [ -0.0002319400000000, 0.0000515500000000, -0.0001624400000000 ] - [ -0.0000761500000000, -0.0003018500000000, 0.0002098600000000 ] - [ -0.0002364800000000, 0.0007606700000000, 0.0002739600000000 ] - [ -0.0001061300000000, -0.0003119800000000, -0.0000305900000000 ] - [ 0.0002560200000000, -0.0001003900000000, 0.0000190700000000 ] - [ -0.0004512300000000, 0.0006626200000000, 0.0005045700000000 ] - [ 0.0003523800000000, -0.0001857200000000, 0.0001887300000000 ] - [ 0.0002915400000000, 0.0000462500000000, 0.0002019600000000 ] - [ -0.0031892600000000, -0.0004834600000000, 0.0006580600000000 ] - [ 0.0003284400000000, 0.0001499400000000, 0.0002830900000000 ] - [ 0.0001133400000000, 0.0000577000000000, 0.0001795600000000 ] - [ 0.0000391700000000, -0.0000330200000000, -0.0000072400000000 ] - [ 0.0020436100000000, -0.0004505300000000, 0.0024269900000000 ] - [ -0.0000131800000000, -0.0000562800000000, -0.0001895700000000 ] - [ 0.0000893700000000, -0.0002359900000000, -0.0003246100000000 ] - [ 0.0005782100000000, 0.0007130400000000, -0.0001515900000000 ] - [ 0.0001416400000000, -0.0003839300000000, -0.0003317500000000 ] - [ 0.0002693100000000, 0.0001118400000000, -0.0002826200000000 ] - [ -0.0002370200000000, 0.0000552100000000, 0.0001723000000000 ] - [ 0.0000310500000000, 0.0000443600000000, 0.0002429300000000 ] - [ 0.0000910000000000, 0.0000649500000000, 0.0002457100000000 ] - [ 0.0004142300000000, -0.0001271600000000, 0.0000899600000000 ] - [ -0.0001138800000000, -0.0001290900000000, -0.0003088400000000 ] - [ -0.0001162000000000, 0.0001332000000000, -0.0003749500000000 ] - [ -0.0004645800000000, 0.0002808600000000, -0.0011000400000000 ] - [ -0.0000244500000000, 0.0004268200000000, -0.0001536300000000 ] - [ 0.0001162100000000, -0.0001108700000000, -0.0001809800000000 ] - [ 0.0000565200000000, -0.0003188900000000, 0.0002745800000000 ] - [ 0.0001056500000000, -0.0000532500000000, 0.0001392600000000 ] - [ -0.0000014900000000, 0.0001670500000000, 0.0002596700000000 ] - [ -0.0001172600000000, -0.0000993800000000, 0.0001373700000000 ] - [ -0.0000434400000000, -0.0001845700000000, -0.0003204600000000 ] - [ -0.0000770100000000, 0.0002656600000000, -0.0003288800000000 ] - [ -0.0005556100000000, -0.0000661700000000, -0.0006550600000000 ] - [ 0.0001343200000000, -0.0004394300000000, -0.0000057000000000 ] - [ -0.0002492600000000, -0.0000589300000000, 0.0001878400000000 ] - [ -0.0004637100000000, 0.0001296600000000, -0.0000846800000000 ] - [ -0.0000642400000000, 0.0001635400000000, -0.0001533400000000 ] - [ -0.0002050400000000, -0.0000469900000000, -0.0001717000000000 ] - [ -0.0002148900000000, -0.0006031000000000, 0.0003751200000000 ] - [ 0.0004414300000000, 0.0001457000000000, 0.0000730900000000 ] - [ 0.0000275700000000, 0.0002812100000000, -0.0001246900000000 ] - [ -0.0001229800000000, 0.0003655300000000, 0.0002332900000000 ] - [ -0.0000807300000000, -0.0003356100000000, 0.0000222800000000 ] - [ 0.0000805000000000, -0.0003182300000000, 0.0000049300000000 ] - [ -0.0001996900000000, 0.0006412100000000, -0.0004446100000000 ] - [ 0.0006407300000000, 0.0003818900000000, 0.0004185800000000 ] - [ 0.0005746100000000, -0.0008886100000000, -0.0005768800000000 ] - [ -0.0002045400000000, -0.0000474700000000, -0.0004213000000000 ] - [ 0.0015159400000000, -0.0065984000000000, -0.0001491500000000 ] - [ 0.0001614800000000, -0.0003519400000000, 0.0000779900000000 ] - [ -0.0000408100000000, 0.0001972600000000, -0.0002770200000000 ] - [ -0.0008535500000000, -0.0061949200000000, -0.0010060500000000 ]- atom: 9 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ -0.0000818500000000, 0.0001865500000000, 0.0006911500000000 ] - [ 0.0000789700000000, 0.0000338900000000, -0.0000031900000000 ] - [ 0.0002278700000000, -0.0001453600000000, -0.0000151000000000 ] - [ -0.0002641300000000, 0.0000083200000000, 0.0001782600000000 ] - [ 0.0004669500000000, 0.0000646500000000, -0.0002594100000000 ] - [ -0.0003904200000000, -0.0000908300000000, 0.0000646300000000 ] - [ -0.0002383900000000, -0.0000456300000000, 0.0001458900000000 ] - [ 0.0000930500000000, -0.0001066500000000, 0.0000982100000000 ] - [ 0.0012162700000000, -0.0009212400000000, -0.0172430200000000 ] - [ 0.0002042000000000, -0.0000610700000000, -0.0000161700000000 ] - [ 0.0001966900000000, 0.0002640700000000, -0.0002085200000000 ] - [ 0.0000383000000000, 0.0000404000000000, -0.0000763200000000 ] - [ -0.0004237300000000, -0.0000891700000000, 0.0004099700000000 ] - [ 0.0001486400000000, 0.0004927300000000, -0.0000429100000000 ] - [ -0.0000187000000000, 0.0000024200000000, 0.0002720700000000 ] - [ 0.0000258100000000, -0.0002870700000000, -0.0001411300000000 ] - [ -0.0002144400000000, 0.0003922000000000, -0.0000787200000000 ] - [ -0.0000012700000000, 0.0000285700000000, 0.0001441800000000 ] - [ 0.0001968900000000, 0.0000033800000000, -0.0001026100000000 ] - [ 0.0001686600000000, 0.0000849900000000, 0.0001118300000000 ] - [ 0.0000001700000000, -0.0006736100000000, 0.0002977100000000 ] - [ 0.0000669200000000, 0.0001245000000000, -0.0002102000000000 ] - [ -0.0004388900000000, -0.0000393900000000, 0.0001728900000000 ] - [ -0.0001864100000000, 0.0001962200000000, -0.0000280200000000 ] - [ 0.0001009600000000, -0.0004685900000000, -0.0002180000000000 ] - [ -0.0001247400000000, 0.0000258700000000, 0.0002332900000000 ] - [ 0.0002767500000000, -0.0001915700000000, 0.0000064400000000 ] - [ -0.0002591300000000, -0.0001799300000000, 0.0002387900000000 ] - [ 0.0002887600000000, 0.0000765900000000, 0.0000268300000000 ] - [ -0.0000537300000000, -0.0000705500000000, -0.0000807400000000 ] - [ 0.0001769600000000, 0.0002504400000000, -0.0001256400000000 ] - [ 0.0000944300000000, -0.0000541500000000, -0.0002153200000000 ] - [ 0.0001171600000000, 0.0000259200000000, 0.0000843800000000 ] - [ -0.0008524600000000, -0.0000621300000000, -0.0018855600000000 ] - [ -0.0003270500000000, 0.0001712900000000, 0.0000927100000000 ] - [ -0.0006974000000000, -0.0003915500000000, 0.0001845200000000 ] - [ 0.0027038900000000, 0.0001614600000000, -0.0007492200000000 ] - [ -0.0004600800000000, -0.0011275500000000, -0.0000131300000000 ] - [ -0.0001789300000000, -0.0003795700000000, -0.0004454300000000 ] - [ 0.0017636400000000, 0.0010392700000000, 0.0009198900000000 ] - [ -0.0001694900000000, -0.0013420600000000, 0.0004084900000000 ] - [ 0.0003816200000000, 0.0001127000000000, 0.0002209500000000 ] - [ 0.0003676500000000, 0.0002933600000000, 0.0004567900000000 ] - [ -0.0001880700000000, -0.0002052500000000, -0.0004164200000000 ] - [ 0.0001048100000000, 0.0001873700000000, 0.0003027500000000 ] - [ 0.0002162300000000, 0.0000166100000000, 0.0000929800000000 ] - [ 0.0000409400000000, -0.0001306900000000, -0.0000226400000000 ] - [ 0.0004443800000000, -0.0005197300000000, -0.0001509000000000 ] - [ -0.0000879700000000, -0.0000775600000000, -0.0003324000000000 ] - [ 0.0001180000000000, 0.0001067800000000, -0.0001352800000000 ] - [ 0.0000673300000000, 0.0003182500000000, 0.0004223200000000 ] - [ 0.0001564500000000, -0.0004455300000000, -0.0003097700000000 ] - [ 0.0002821200000000, -0.0000066100000000, -0.0003396200000000 ] - [ 0.0001262700000000, 0.0002048400000000, 0.0006836600000000 ] - [ -0.0002827800000000, 0.0001184700000000, 0.0000939300000000 ] - [ -0.0001365700000000, -0.0000999400000000, 0.0002238800000000 ] - [ 0.0004468400000000, -0.0002298600000000, 0.0000644000000000 ] - [ -0.0001303800000000, -0.0002251600000000, -0.0003007900000000 ] - [ -0.0001035900000000, 0.0003195400000000, -0.0000989500000000 ] - [ 0.0027239400000000, 0.0009435000000000, 0.0099754900000000 ] - [ 0.0000275500000000, 0.0001655200000000, 0.0000088800000000 ] - [ -0.0000817800000000, -0.0001506300000000, -0.0001765200000000 ] - [ -0.0000610500000000, -0.0001337500000000, -0.0002455000000000 ] - [ 0.0001840400000000, -0.0000736200000000, 0.0001746500000000 ] - [ 0.0000335600000000, -0.0000405500000000, 0.0000836600000000 ] - [ 0.0000684800000000, -0.0002076700000000, -0.0000138000000000 ] - [ -0.0001159900000000, -0.0002669100000000, -0.0002659600000000 ] - [ -0.0001562300000000, 0.0002858300000000, -0.0004814200000000 ] - [ 0.0000156500000000, 0.0000328700000000, 0.0026788200000000 ] - [ 0.0001923600000000, 0.0001748100000000, 0.0000327400000000 ] - [ -0.0002441500000000, -0.0000874600000000, 0.0000993800000000 ] - [ -0.0005040500000000, -0.0000819000000000, -0.0002697300000000 ] - [ -0.0000351000000000, 0.0001463100000000, -0.0002054700000000 ] - [ -0.0000855500000000, 0.0000691600000000, 0.0001555700000000 ] - [ -0.0033577600000000, -0.0005613700000000, 0.0033705100000000 ] - [ 0.0004106900000000, 0.0002136300000000, 0.0000961000000000 ] - [ -0.0000228400000000, 0.0001053300000000, -0.0002736500000000 ] - [ -0.0002261300000000, 0.0004613300000000, -0.0000128300000000 ] - [ 0.0001489100000000, -0.0002659300000000, -0.0002353900000000 ] - [ 0.0000323200000000, -0.0002939200000000, 0.0000239400000000 ] - [ 0.0000926600000000, 0.0000821300000000, 0.0004334300000000 ] - [ 0.0000845200000000, 0.0002407200000000, 0.0005457400000000 ] - [ -0.0036065300000000, 0.0006683300000000, 0.0016654900000000 ] - [ 0.0001127500000000, 0.0000715800000000, -0.0000494300000000 ] - [ -0.0001949700000000, 0.0006073700000000, 0.0001540500000000 ] - [ 0.0001687500000000, 0.0000754700000000, 0.0001269500000000 ] - [ -0.0009716500000000, 0.0001366400000000, -0.0005096600000000 ] - [ 0.0002736200000000, 0.0009995500000000, 0.0000353300000000 ]- atom: 9 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0000840300000000, 0.0003061100000000, -0.0001278000000000 ] - [ 0.0000445800000000, 0.0000982900000000, 0.0000261100000000 ] - [ 0.0002261200000000, -0.0000192100000000, -0.0000028300000000 ] - [ -0.0001545700000000, -0.0000118700000000, 0.0000486800000000 ] - [ -0.0005245900000000, -0.0000145200000000, 0.0005005300000000 ] - [ -0.0000807200000000, -0.0001971100000000, -0.0000824500000000 ] - [ -0.0001832600000000, 0.0000478400000000, 0.0000817500000000 ] - [ 0.0000320300000000, -0.0000246000000000, -0.0000726600000000 ] - [ -0.0015119900000000, 0.0014169200000000, 0.0177465100000000 ] - [ 0.0002346100000000, -0.0001466700000000, 0.0000332100000000 ] - [ 0.0002239000000000, -0.0002609100000000, -0.0000194000000000 ] - [ 0.0000183600000000, 0.0000116400000000, -0.0001681000000000 ] - [ -0.0000149400000000, -0.0001189600000000, -0.0004286700000000 ] - [ 0.0003055200000000, -0.0003317900000000, 0.0000252900000000 ] - [ -0.0000372500000000, -0.0000549500000000, -0.0000277600000000 ] - [ 0.0001402100000000, -0.0002069600000000, -0.0004200900000000 ] - [ -0.0002241300000000, -0.0001835800000000, 0.0000598600000000 ] - [ -0.0001231900000000, 0.0001021400000000, -0.0001694300000000 ] - [ 0.0002237900000000, -0.0000062700000000, -0.0001257700000000 ] - [ 0.0002699600000000, 0.0001225600000000, -0.0000950200000000 ] - [ -0.0004567200000000, 0.0008426800000000, -0.0002823400000000 ] - [ 0.0000961100000000, 0.0003689200000000, -0.0003470900000000 ] - [ -0.0000177300000000, -0.0001233700000000, -0.0001553400000000 ] - [ -0.0002839000000000, 0.0000922800000000, 0.0000107400000000 ] - [ 0.0003162900000000, 0.0000328600000000, -0.0000597900000000 ] - [ -0.0000379500000000, -0.0005193200000000, 0.0003224100000000 ] - [ 0.0001932000000000, -0.0000972200000000, 0.0000110600000000 ] - [ -0.0001591800000000, -0.0002562300000000, 0.0000427200000000 ] - [ 0.0001817300000000, 0.0002105300000000, -0.0000103300000000 ] - [ -0.0000696700000000, -0.0000621800000000, 0.0000576100000000 ] - [ 0.0002409400000000, 0.0001854700000000, -0.0001559700000000 ] - [ -0.0000385400000000, 0.0000035800000000, -0.0000290500000000 ] - [ -0.0000989000000000, -0.0000021300000000, -0.0001552700000000 ] - [ 0.0000438400000000, 0.0000049400000000, 0.0017483800000000 ] - [ -0.0004864400000000, -0.0001139400000000, -0.0002333300000000 ] - [ 0.0002458200000000, 0.0003054700000000, -0.0006204900000000 ] - [ -0.0022439000000000, -0.0005299600000000, 0.0013038100000000 ] - [ -0.0000074200000000, 0.0014830500000000, -0.0005357700000000 ] - [ -0.0002841900000000, 0.0000121600000000, -0.0001077600000000 ] - [ -0.0017774400000000, -0.0010578000000000, -0.0008403100000000 ] - [ 0.0001546600000000, 0.0013642500000000, -0.0003404900000000 ] - [ 0.0004307000000000, -0.0001736600000000, -0.0000778700000000 ] - [ 0.0000825900000000, -0.0002090200000000, -0.0000179200000000 ] - [ -0.0002701300000000, 0.0002868200000000, -0.0000211000000000 ] - [ 0.0003573300000000, 0.0001847900000000, 0.0002461300000000 ] - [ 0.0002358900000000, -0.0001014000000000, 0.0003426300000000 ] - [ -0.0000237700000000, 0.0001072600000000, -0.0000465300000000 ] - [ 0.0003670500000000, 0.0005785600000000, 0.0002835100000000 ] - [ 0.0000393300000000, 0.0000158000000000, -0.0000365500000000 ] - [ -0.0000931100000000, -0.0003699100000000, -0.0000121200000000 ] - [ 0.0002808200000000, 0.0000268600000000, 0.0001977100000000 ] - [ 0.0001372000000000, -0.0004147600000000, -0.0001023200000000 ] - [ 0.0002028500000000, 0.0001320300000000, -0.0000554300000000 ] - [ -0.0006109000000000, -0.0000799700000000, -0.0002888400000000 ] - [ 0.0003293700000000, 0.0001415300000000, 0.0002541600000000 ] - [ 0.0004205600000000, 0.0002579400000000, 0.0000813200000000 ] - [ 0.0004167800000000, -0.0000715700000000, 0.0001099400000000 ] - [ -0.0002156200000000, -0.0001183000000000, -0.0003210800000000 ] - [ -0.0001808500000000, -0.0001633800000000, -0.0002066100000000 ] - [ -0.0029065700000000, -0.0007237900000000, -0.0101323400000000 ] - [ -0.0000074300000000, 0.0000981900000000, -0.0001565200000000 ] - [ 0.0000317000000000, -0.0001097400000000, -0.0001730500000000 ] - [ 0.0002106500000000, -0.0003963900000000, 0.0009304700000000 ] - [ 0.0000992600000000, -0.0000841300000000, 0.0001291300000000 ] - [ 0.0000140200000000, 0.0001030900000000, 0.0002848500000000 ] - [ -0.0000884100000000, -0.0000570800000000, 0.0001593400000000 ] - [ -0.0000331700000000, -0.0002637900000000, -0.0004216800000000 ] - [ 0.0000064200000000, 0.0002447000000000, -0.0002073800000000 ] - [ -0.0002493800000000, -0.0001817200000000, -0.0028729800000000 ] - [ -0.0001389400000000, -0.0004335600000000, 0.0003140500000000 ] - [ -0.0002405400000000, -0.0000387000000000, 0.0002941300000000 ] - [ -0.0003594200000000, 0.0003808200000000, 0.0000937100000000 ] - [ -0.0000146100000000, 0.0001133100000000, -0.0001438700000000 ] - [ 0.0000390800000000, -0.0000078400000000, -0.0005261100000000 ] - [ 0.0029851700000000, -0.0002976500000000, -0.0029372600000000 ] - [ 0.0004521100000000, 0.0000862600000000, 0.0000808000000000 ] - [ 0.0001267300000000, 0.0004775300000000, 0.0001386400000000 ] - [ -0.0000678100000000, 0.0003987600000000, 0.0004233100000000 ] - [ -0.0002521900000000, -0.0003183600000000, 0.0003669100000000 ] - [ 0.0000696600000000, -0.0002905800000000, -0.0001600300000000 ] - [ -0.0000458100000000, -0.0001429300000000, -0.0000612400000000 ] - [ 0.0000665300000000, 0.0002894400000000, 0.0001429900000000 ] - [ 0.0028182300000000, -0.0009720700000000, -0.0018681800000000 ] - [ 0.0003712000000000, -0.0001970000000000, -0.0003463000000000 ] - [ 0.0000934500000000, -0.0000482600000000, -0.0000198900000000 ] - [ 0.0001800100000000, -0.0004178800000000, 0.0004934200000000 ] - [ 0.0006223900000000, 0.0002080200000000, -0.0001129000000000 ] - [ 0.0000205300000000, -0.0001203900000000, -0.0004464500000000 ]- atom: 10 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ -0.0001081800000000, 0.0002261400000000, 0.0003012000000000 ] - [ 0.0004930200000000, 0.0000775600000000, -0.0001180200000000 ] - [ 0.0002717400000000, -0.0000812800000000, -0.0000396200000000 ] - [ -0.0001866100000000, 0.0000094400000000, 0.0001157300000000 ] - [ -0.0000195600000000, 0.0000250100000000, 0.0001433900000000 ] - [ -0.0002063500000000, -0.0002111800000000, -0.0000236700000000 ] - [ -0.0002346200000000, 0.0001943500000000, 0.0002311600000000 ] - [ 0.0002001700000000, -0.0000096500000000, 0.0000725100000000 ] - [ -0.0002620400000000, 0.0001877000000000, 0.0001202300000000 ] - [ -0.0113814900000000, 0.0000696500000000, -0.0021414000000000 ] - [ 0.0003385600000000, 0.0000288400000000, -0.0000719000000000 ] - [ 0.0002688600000000, 0.0000716200000000, -0.0000069400000000 ] - [ -0.0002526600000000, -0.0000961700000000, -0.0000086400000000 ] - [ 0.0001854000000000, 0.0005132300000000, -0.0000843800000000 ] - [ 0.0000555600000000, -0.0000774500000000, 0.0000952700000000 ] - [ 0.0000097400000000, -0.0001971600000000, -0.0003075100000000 ] - [ -0.0001819100000000, 0.0001081300000000, 0.0000374200000000 ] - [ -0.0000344800000000, 0.0000447700000000, -0.0000083100000000 ] - [ 0.0002478800000000, -0.0000032200000000, -0.0002064400000000 ] - [ 0.0001822800000000, 0.0000814600000000, 0.0000027000000000 ] - [ -0.0002246200000000, -0.0004926600000000, -0.0001183200000000 ] - [ 0.0009922600000000, 0.0003943400000000, 0.0003722400000000 ] - [ -0.0002546600000000, -0.0000841300000000, -0.0000155400000000 ] - [ -0.0001940400000000, 0.0001732400000000, -0.0000189800000000 ] - [ 0.0001588500000000, -0.0000546600000000, -0.0001362000000000 ] - [ -0.0001739400000000, -0.0005506800000000, 0.0005161400000000 ] - [ 0.0008340100000000, -0.0001217400000000, 0.0003717200000000 ] - [ -0.0002422900000000, -0.0002613700000000, 0.0000871000000000 ] - [ 0.0002724300000000, 0.0001154900000000, 0.0000092200000000 ] - [ 0.0002039700000000, 0.0005195100000000, -0.0000864600000000 ] - [ -0.0002614500000000, 0.0002943400000000, -0.0003758700000000 ] - [ 0.0000675900000000, -0.0005417300000000, -0.0001612300000000 ] - [ 0.0002178800000000, -0.0013683500000000, 0.0001691300000000 ] - [ 0.0002448300000000, 0.0000248300000000, -0.0001156900000000 ] - [ -0.0004309900000000, 0.0001268500000000, -0.0001773400000000 ] - [ -0.0002172900000000, -0.0000222200000000, -0.0002281000000000 ] - [ 0.0004382600000000, -0.0003302300000000, 0.0003076600000000 ] - [ -0.0003139400000000, 0.0001659600000000, -0.0002921700000000 ] - [ 0.0019048000000000, -0.0010258800000000, 0.0004460000000000 ] - [ 0.0000473000000000, -0.0000342900000000, 0.0000003400000000 ] - [ 0.0003280800000000, -0.0000831100000000, 0.0001844100000000 ] - [ 0.0002032400000000, 0.0005619100000000, -0.0005251200000000 ] - [ 0.0000162800000000, -0.0001384100000000, 0.0004598300000000 ] - [ 0.0001013100000000, -0.0000291900000000, -0.0000271600000000 ] - [ -0.0000326700000000, 0.0001856200000000, 0.0002923500000000 ] - [ -0.0027005500000000, 0.0000605900000000, -0.0024636100000000 ] - [ 0.0003009900000000, -0.0002039600000000, -0.0001792100000000 ] - [ 0.0006638400000000, 0.0000612700000000, 0.0001549300000000 ] - [ 0.0000031200000000, 0.0000137600000000, -0.0001111200000000 ] - [ 0.0000048100000000, -0.0001758700000000, -0.0000332500000000 ] - [ -0.0000435100000000, 0.0002531000000000, 0.0002056300000000 ] - [ 0.0001547300000000, -0.0004736000000000, 0.0000263100000000 ] - [ -0.0002033100000000, -0.0000359400000000, 0.0001640700000000 ] - [ -0.0001618400000000, 0.0002169300000000, 0.0001282300000000 ] - [ -0.0000264700000000, 0.0001645100000000, 0.0001629600000000 ] - [ -0.0005635300000000, 0.0002506700000000, 0.0001740500000000 ] - [ 0.0015065100000000, 0.0000058100000000, 0.0030070300000000 ] - [ 0.0002222900000000, -0.0000401700000000, -0.0001085600000000 ] - [ -0.0005269900000000, 0.0002733800000000, -0.0002380000000000 ] - [ 0.0001607900000000, 0.0002396200000000, 0.0000414500000000 ] - [ 0.0011160000000000, 0.0007164300000000, -0.0024646900000000 ] - [ -0.0001204200000000, 0.0000699300000000, -0.0002589000000000 ] - [ -0.0000109100000000, -0.0002379000000000, 0.0003728800000000 ] - [ 0.0003371800000000, -0.0001234600000000, 0.0003620400000000 ] - [ -0.0000827500000000, -0.0002514100000000, 0.0002403000000000 ] - [ 0.0000805900000000, -0.0001187800000000, 0.0000703500000000 ] - [ 0.0069461100000000, -0.0011234700000000, -0.0021623300000000 ] - [ -0.0001077000000000, 0.0003539400000000, -0.0004404100000000 ] - [ -0.0001379000000000, -0.0000793300000000, -0.0001279500000000 ] - [ -0.0002950800000000, -0.0002137000000000, 0.0001180200000000 ] - [ -0.0002531300000000, -0.0001288200000000, 0.0001754800000000 ] - [ -0.0004418800000000, 0.0001630600000000, -0.0000522500000000 ] - [ -0.0000197300000000, 0.0001322300000000, -0.0000609900000000 ] - [ -0.0012033200000000, 0.0005197500000000, -0.0001317300000000 ] - [ -0.0000869400000000, -0.0005301600000000, 0.0003009300000000 ] - [ 0.0005173100000000, 0.0002399900000000, 0.0001945300000000 ] - [ 0.0002953000000000, 0.0003246400000000, -0.0001115700000000 ] - [ 0.0000156300000000, 0.0002951800000000, 0.0002887700000000 ] - [ -0.0000409000000000, -0.0002888000000000, 0.0001083300000000 ] - [ 0.0026726100000000, 0.0004373700000000, 0.0038780500000000 ] - [ -0.0000077200000000, -0.0000394800000000, 0.0002039800000000 ] - [ -0.0002406400000000, 0.0000814400000000, 0.0002777300000000 ] - [ -0.0004982200000000, -0.0000958600000000, -0.0001078200000000 ] - [ 0.0000215500000000, 0.0000041000000000, -0.0001826000000000 ] - [ -0.0003783500000000, 0.0004456100000000, -0.0000605400000000 ] - [ 0.0001803700000000, -0.0001721200000000, 0.0002975200000000 ] - [ -0.0001098700000000, 0.0003119800000000, -0.0003165900000000 ] - [ -0.0000085500000000, 0.0003123100000000, -0.0003822200000000 ]- atom: 10 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0000543400000000, 0.0002663200000000, 0.0002617100000000 ] - [ -0.0003664600000000, 0.0000548800000000, 0.0001404200000000 ] - [ 0.0001812400000000, -0.0000831700000000, 0.0000196700000000 ] - [ -0.0002318300000000, -0.0000140500000000, 0.0001111200000000 ] - [ -0.0000328300000000, 0.0000246500000000, 0.0001021000000000 ] - [ -0.0002642900000000, -0.0000760200000000, 0.0000097500000000 ] - [ -0.0001827500000000, -0.0001896100000000, -0.0000040600000000 ] - [ -0.0000742000000000, -0.0001212000000000, -0.0000471700000000 ] - [ -0.0001576600000000, 0.0002482100000000, 0.0001530700000000 ] - [ 0.0119154600000000, -0.0003393200000000, 0.0021207600000000 ] - [ 0.0000815900000000, -0.0000239100000000, -0.0001558400000000 ] - [ -0.0002135600000000, -0.0000193300000000, -0.0002370700000000 ] - [ -0.0001839700000000, -0.0001144500000000, -0.0000093300000000 ] - [ 0.0002685800000000, -0.0003467700000000, 0.0000658000000000 ] - [ -0.0001098400000000, 0.0000256100000000, 0.0001495600000000 ] - [ 0.0001532300000000, -0.0002951600000000, -0.0002551900000000 ] - [ -0.0002540000000000, 0.0001020000000000, -0.0000554600000000 ] - [ -0.0000913000000000, 0.0000863700000000, -0.0000211300000000 ] - [ 0.0001724000000000, 0.0000004500000000, -0.0000209400000000 ] - [ 0.0002544200000000, 0.0001290300000000, 0.0000153900000000 ] - [ -0.0002293600000000, 0.0006525000000000, 0.0001353000000000 ] - [ -0.0008141600000000, 0.0001012000000000, -0.0009216200000000 ] - [ -0.0001995300000000, -0.0000786400000000, 0.0000328500000000 ] - [ -0.0002773200000000, 0.0001147400000000, 0.0000071200000000 ] - [ 0.0002605300000000, -0.0003823300000000, -0.0001383100000000 ] - [ 0.0000077700000000, 0.0000569600000000, 0.0000406100000000 ] - [ -0.0003671100000000, -0.0001658200000000, -0.0003606400000000 ] - [ -0.0001780400000000, -0.0001755500000000, 0.0001905900000000 ] - [ 0.0002024600000000, 0.0001712600000000, 0.0000019800000000 ] - [ -0.0003300100000000, -0.0006565000000000, 0.0000623200000000 ] - [ 0.0006798100000000, 0.0001424800000000, 0.0000953200000000 ] - [ -0.0000120600000000, 0.0004938600000000, -0.0000844100000000 ] - [ -0.0001898700000000, 0.0013928900000000, -0.0002434300000000 ] - [ -0.0010575300000000, -0.0000787800000000, -0.0000321600000000 ] - [ -0.0003815500000000, -0.0000650200000000, 0.0000332800000000 ] - [ -0.0002309000000000, -0.0000605700000000, -0.0002125600000000 ] - [ 0.0000181600000000, -0.0000474100000000, 0.0002458400000000 ] - [ -0.0001452600000000, 0.0002041900000000, -0.0002586300000000 ] - [ -0.0023527400000000, 0.0006584600000000, -0.0010032800000000 ] - [ -0.0000633900000000, 0.0000144000000000, 0.0000644700000000 ] - [ -0.0003445700000000, 0.0001051000000000, -0.0001177000000000 ] - [ 0.0006090100000000, -0.0006263100000000, 0.0006721500000000 ] - [ 0.0004284200000000, 0.0002227200000000, -0.0000152700000000 ] - [ -0.0005481900000000, 0.0001126400000000, -0.0004095400000000 ] - [ 0.0004948200000000, 0.0001875100000000, 0.0002568200000000 ] - [ 0.0031652400000000, -0.0001442900000000, 0.0029051800000000 ] - [ -0.0002763300000000, 0.0001689600000000, 0.0000989300000000 ] - [ 0.0001499100000000, -0.0000019800000000, -0.0000134800000000 ] - [ -0.0000490400000000, -0.0000772800000000, -0.0002587100000000 ] - [ 0.0000187800000000, -0.0000877200000000, -0.0001138300000000 ] - [ 0.0003843500000000, 0.0000873400000000, 0.0004150000000000 ] - [ 0.0001349900000000, -0.0003873900000000, -0.0004404800000000 ] - [ 0.0006909000000000, 0.0001616100000000, -0.0005593800000000 ] - [ -0.0003241000000000, -0.0000921400000000, 0.0002704300000000 ] - [ 0.0000799600000000, 0.0000966800000000, 0.0001842600000000 ] - [ 0.0008453900000000, -0.0001010100000000, 0.0001277000000000 ] - [ -0.0006361500000000, -0.0003063100000000, -0.0028574000000000 ] - [ -0.0005654300000000, -0.0003006000000000, -0.0005126500000000 ] - [ 0.0002411300000000, -0.0001117100000000, -0.0000643800000000 ] - [ -0.0001803600000000, 0.0000250700000000, 0.0001048000000000 ] - [ -0.0010083800000000, -0.0004548600000000, 0.0022519800000000 ] - [ 0.0000665700000000, -0.0003311000000000, -0.0000875700000000 ] - [ 0.0001595200000000, -0.0002933100000000, 0.0003161600000000 ] - [ -0.0000556400000000, -0.0000365000000000, -0.0000627600000000 ] - [ 0.0001282500000000, 0.0003164800000000, 0.0001303900000000 ] - [ -0.0000987100000000, -0.0001449300000000, 0.0000766300000000 ] - [ -0.0073511500000000, 0.0006275700000000, 0.0016044300000000 ] - [ -0.0000407400000000, 0.0001777000000000, -0.0002502800000000 ] - [ -0.0001432300000000, -0.0000806600000000, -0.0001751200000000 ] - [ 0.0003495100000000, -0.0000458200000000, 0.0002290300000000 ] - [ -0.0002335800000000, 0.0000028100000000, 0.0002188500000000 ] - [ -0.0004226500000000, 0.0001414200000000, -0.0001237800000000 ] - [ -0.0000307100000000, 0.0001286700000000, -0.0002863000000000 ] - [ 0.0011622100000000, -0.0004258300000000, -0.0002326700000000 ] - [ -0.0002033200000000, -0.0003308900000000, 0.0001143900000000 ] - [ 0.0003457100000000, 0.0000615300000000, -0.0000166100000000 ] - [ -0.0001844600000000, 0.0002581500000000, -0.0000234300000000 ] - [ -0.0003054000000000, 0.0005649700000000, 0.0001241100000000 ] - [ -0.0000678300000000, -0.0002950700000000, 0.0000266500000000 ] - [ -0.0025712800000000, -0.0010139100000000, -0.0039768400000000 ] - [ 0.0000528100000000, -0.0000238600000000, 0.0001654700000000 ] - [ 0.0003892700000000, 0.0004488000000000, 0.0004116900000000 ] - [ -0.0003650900000000, -0.0002085500000000, -0.0000701200000000 ] - [ 0.0004633000000000, -0.0001291800000000, -0.0002155800000000 ] - [ 0.0002661300000000, 0.0001397800000000, 0.0001970000000000 ] - [ 0.0001642300000000, -0.0001668500000000, 0.0003229300000000 ] - [ -0.0002336600000000, 0.0000286000000000, -0.0003052500000000 ] - [ 0.0002997900000000, 0.0005470600000000, -0.0000336200000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000678800000000, 0.0002814400000000, 0.0002781100000000 ] - [ 0.0000024200000000, 0.0001209800000000, 0.0000391500000000 ] - [ 0.0002558400000000, 0.0000028100000000, 0.0000301800000000 ] - [ -0.0001795800000000, -0.0000020700000000, 0.0000173600000000 ] - [ 0.0000272500000000, 0.0000137200000000, 0.0000946300000000 ] - [ -0.0002275800000000, -0.0000458100000000, 0.0000705300000000 ] - [ -0.0000585200000000, 0.0000602600000000, 0.0005787600000000 ] - [ 0.0000264500000000, -0.0000635900000000, -0.0000338100000000 ] - [ -0.0002619800000000, 0.0002772300000000, 0.0001767300000000 ] - [ 0.0004120600000000, -0.0109964200000000, -0.0006948800000000 ] - [ 0.0001839700000000, 0.0000098900000000, -0.0000997800000000 ] - [ 0.0000034500000000, 0.0000443200000000, -0.0001713200000000 ] - [ -0.0002285400000000, -0.0001084800000000, 0.0000074800000000 ] - [ 0.0005122700000000, 0.0001256200000000, -0.0001575200000000 ] - [ -0.0000236000000000, -0.0000220500000000, 0.0001465300000000 ] - [ 0.0001022500000000, -0.0002520800000000, -0.0003180800000000 ] - [ -0.0002170600000000, 0.0000946900000000, -0.0000447200000000 ] - [ -0.0000721900000000, 0.0000852800000000, -0.0000311300000000 ] - [ 0.0001994600000000, 0.0000002600000000, -0.0001103900000000 ] - [ 0.0002439400000000, 0.0001123000000000, -0.0000266200000000 ] - [ -0.0007037500000000, 0.0003257800000000, 0.0003057100000000 ] - [ 0.0001967900000000, 0.0000599700000000, -0.0002669200000000 ] - [ -0.0002412300000000, -0.0001125800000000, -0.0000521700000000 ] - [ -0.0002354000000000, 0.0001397500000000, -0.0000217500000000 ] - [ 0.0003103500000000, -0.0000069100000000, 0.0001583700000000 ] - [ -0.0003634000000000, -0.0001615100000000, -0.0004202700000000 ] - [ 0.0002284800000000, -0.0002467200000000, 0.0000252800000000 ] - [ -0.0002148900000000, -0.0002103900000000, 0.0001573200000000 ] - [ 0.0002209600000000, 0.0001600200000000, -0.0000283700000000 ] - [ 0.0004593700000000, -0.0001077900000000, -0.0002375900000000 ] - [ 0.0002741300000000, 0.0001998600000000, -0.0001499000000000 ] - [ -0.0002770600000000, 0.0002249400000000, 0.0000892300000000 ] - [ -0.0012218500000000, 0.0001684700000000, -0.0015028800000000 ] - [ -0.0004799400000000, 0.0022517800000000, -0.0007718400000000 ] - [ -0.0003062500000000, 0.0000602400000000, -0.0000340800000000 ] - [ -0.0002216900000000, -0.0000482000000000, -0.0002480700000000 ] - [ 0.0007305600000000, 0.0019725500000000, 0.0002905200000000 ] - [ -0.0003259500000000, 0.0002045600000000, -0.0002555900000000 ] - [ -0.0001598100000000, 0.0001982600000000, -0.0002641900000000 ] - [ -0.0000075000000000, -0.0000238200000000, 0.0000137200000000 ] - [ 0.0001733400000000, 0.0000934400000000, 0.0000234300000000 ] - [ 0.0004137800000000, -0.0000739900000000, 0.0000773400000000 ] - [ 0.0003816100000000, 0.0003406000000000, 0.0000752700000000 ] - [ -0.0004218300000000, -0.0000926400000000, -0.0001838600000000 ] - [ 0.0001215600000000, 0.0001576300000000, 0.0002904600000000 ] - [ 0.0001484100000000, -0.0005410200000000, 0.0003198400000000 ] - [ 0.0000355900000000, 0.0000661800000000, -0.0000051100000000 ] - [ 0.0004891100000000, -0.0000268200000000, 0.0001723600000000 ] - [ -0.0000300600000000, -0.0000390600000000, -0.0001682700000000 ] - [ 0.0000987200000000, -0.0001908600000000, 0.0000041500000000 ] - [ 0.0001803500000000, 0.0002154500000000, 0.0003068700000000 ] - [ 0.0001590700000000, -0.0004131700000000, -0.0002134900000000 ] - [ 0.0002964800000000, 0.0000857300000000, -0.0002312900000000 ] - [ -0.0003760600000000, -0.0005788200000000, 0.0002614500000000 ] - [ 0.0000296300000000, 0.0001165000000000, 0.0001961200000000 ] - [ 0.0000951200000000, 0.0016886500000000, 0.0005082600000000 ] - [ 0.0002128500000000, -0.0002848600000000, -0.0003441300000000 ] - [ -0.0001295700000000, -0.0000747300000000, -0.0003394500000000 ] - [ -0.0003558900000000, 0.0001721600000000, -0.0002073300000000 ] - [ 0.0001147900000000, -0.0003803500000000, -0.0001014700000000 ] - [ 0.0001195700000000, -0.0005050800000000, -0.0002058700000000 ] - [ 0.0001332700000000, -0.0001616900000000, -0.0001018000000000 ] - [ 0.0000873900000000, -0.0002602500000000, 0.0003728700000000 ] - [ 0.0001506900000000, -0.0000625400000000, 0.0001309500000000 ] - [ 0.0000674600000000, 0.0000484800000000, 0.0001949700000000 ] - [ -0.0000242300000000, -0.0000322800000000, 0.0000081700000000 ] - [ -0.0007448800000000, -0.0000527500000000, -0.0000882000000000 ] - [ -0.0000358300000000, 0.0001675700000000, -0.0001782700000000 ] - [ -0.0001386100000000, -0.0000700700000000, -0.0001322800000000 ] - [ -0.0000162900000000, -0.0001886400000000, 0.0002311700000000 ] - [ -0.0002521700000000, -0.0000159900000000, 0.0002190400000000 ] - [ -0.0004380700000000, 0.0001590200000000, -0.0000811700000000 ] - [ -0.0000078000000000, 0.0001292500000000, -0.0002037900000000 ] - [ 0.0002575600000000, 0.0057952000000000, 0.0010054900000000 ] - [ -0.0000972000000000, -0.0008963000000000, 0.0002774500000000 ] - [ 0.0004210200000000, 0.0001265700000000, 0.0000520100000000 ] - [ -0.0000038000000000, 0.0002570300000000, 0.0000383600000000 ] - [ -0.0001871600000000, 0.0004358000000000, 0.0000963100000000 ] - [ -0.0000619600000000, -0.0002838300000000, 0.0000799100000000 ] - [ 0.0008165000000000, -0.0000628100000000, 0.0014228200000000 ] - [ 0.0000039500000000, -0.0000382900000000, 0.0001776700000000 ] - [ 0.0002463200000000, 0.0003856300000000, 0.0003795400000000 ] - [ -0.0004794800000000, -0.0001770400000000, -0.0000939700000000 ] - [ 0.0001350000000000, -0.0000577200000000, -0.0002177000000000 ] - [ 0.0000547700000000, 0.0003374500000000, -0.0000071700000000 ] - [ 0.0001962000000000, -0.0001868600000000, 0.0003094000000000 ] - [ -0.0001986300000000, -0.0002256100000000, -0.0003495400000000 ] - [ 0.0000651100000000, 0.0004092100000000, -0.0003152600000000 ]- atom: 10 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000964600000000, 0.0002121500000000, 0.0002816300000000 ] - [ 0.0001229500000000, 0.0000120200000000, -0.0000185600000000 ] - [ 0.0001965400000000, -0.0001670100000000, -0.0000492700000000 ] - [ -0.0002422800000000, -0.0000006300000000, 0.0002120300000000 ] - [ -0.0000846300000000, 0.0000371500000000, 0.0001492600000000 ] - [ -0.0002430700000000, -0.0002428000000000, -0.0000892500000000 ] - [ -0.0003643800000000, -0.0000566800000000, -0.0003567300000000 ] - [ 0.0000976000000000, -0.0000675300000000, 0.0000562400000000 ] - [ -0.0001540500000000, 0.0001588500000000, 0.0000984200000000 ] - [ 0.0000141400000000, 0.0109854500000000, 0.0007889200000000 ] - [ 0.0002377400000000, -0.0000065500000000, -0.0001294000000000 ] - [ 0.0000539800000000, 0.0000086300000000, -0.0000715200000000 ] - [ -0.0002088200000000, -0.0001000600000000, -0.0000259100000000 ] - [ -0.0000547900000000, 0.0000361500000000, 0.0001384600000000 ] - [ -0.0000336100000000, -0.0000295400000000, 0.0000965400000000 ] - [ 0.0000634100000000, -0.0002408300000000, -0.0002438800000000 ] - [ -0.0002211400000000, 0.0001133000000000, 0.0000268200000000 ] - [ -0.0000519100000000, 0.0000461000000000, 0.0000059500000000 ] - [ 0.0002227100000000, -0.0000021300000000, -0.0001178600000000 ] - [ 0.0001953400000000, 0.0000960200000000, 0.0000426700000000 ] - [ 0.0002562100000000, -0.0001611800000000, -0.0002925500000000 ] - [ -0.0000342800000000, 0.0004334300000000, -0.0002906100000000 ] - [ -0.0002119500000000, -0.0000494100000000, 0.0000695500000000 ] - [ -0.0002347200000000, 0.0001500900000000, 0.0000034500000000 ] - [ 0.0001086800000000, -0.0004300400000000, -0.0004308100000000 ] - [ 0.0002006800000000, -0.0003319100000000, 0.0009825400000000 ] - [ 0.0002444300000000, -0.0000415500000000, -0.0000088300000000 ] - [ -0.0002039500000000, -0.0002256600000000, 0.0001209300000000 ] - [ 0.0002502600000000, 0.0001286100000000, 0.0000443300000000 ] - [ -0.0005873100000000, -0.0000231600000000, 0.0002172500000000 ] - [ 0.0001446800000000, 0.0002368800000000, -0.0001285700000000 ] - [ 0.0003308400000000, -0.0002760500000000, -0.0003313100000000 ] - [ 0.0012273000000000, -0.0001548400000000, 0.0014112400000000 ] - [ -0.0003341000000000, -0.0023189300000000, 0.0006270200000000 ] - [ -0.0005072300000000, -0.0000012600000000, -0.0001097300000000 ] - [ -0.0002279500000000, -0.0000363400000000, -0.0001909900000000 ] - [ -0.0002633700000000, -0.0023303600000000, 0.0002575600000000 ] - [ -0.0001384400000000, 0.0001655900000000, -0.0002945000000000 ] - [ -0.0003091200000000, -0.0005648400000000, -0.0002896900000000 ] - [ -0.0000114000000000, 0.0000008700000000, 0.0000549700000000 ] - [ -0.0001934500000000, -0.0000670300000000, 0.0000467600000000 ] - [ 0.0004017900000000, 0.0000119500000000, 0.0000657600000000 ] - [ 0.0000691500000000, -0.0002593100000000, 0.0003627500000000 ] - [ -0.0000262700000000, 0.0001771300000000, -0.0002579400000000 ] - [ 0.0003434400000000, 0.0002159900000000, 0.0002588400000000 ] - [ 0.0003075400000000, 0.0004645900000000, 0.0001049500000000 ] - [ -0.0000177600000000, -0.0000950700000000, -0.0000658300000000 ] - [ 0.0003254100000000, 0.0000842000000000, -0.0000295000000000 ] - [ -0.0000170600000000, -0.0000240100000000, -0.0002003200000000 ] - [ -0.0000746800000000, -0.0000710700000000, -0.0001518100000000 ] - [ 0.0001666000000000, 0.0001261100000000, 0.0003155300000000 ] - [ 0.0001344600000000, -0.0004456700000000, -0.0001999600000000 ] - [ 0.0001902300000000, 0.0000420300000000, -0.0001647100000000 ] - [ -0.0001044100000000, 0.0007081800000000, 0.0001338900000000 ] - [ 0.0000205300000000, 0.0001428400000000, 0.0001529300000000 ] - [ 0.0001952300000000, -0.0014236500000000, -0.0002100900000000 ] - [ 0.0006594300000000, -0.0000153400000000, 0.0005400700000000 ] - [ -0.0002157700000000, -0.0002675300000000, -0.0002829200000000 ] - [ 0.0000752400000000, -0.0000144000000000, -0.0000954700000000 ] - [ -0.0001402700000000, 0.0006434100000000, 0.0002481800000000 ] - [ -0.0001095100000000, 0.0007639900000000, 0.0000711300000000 ] - [ -0.0001814700000000, -0.0000941200000000, -0.0002473400000000 ] - [ 0.0000617900000000, -0.0002706700000000, 0.0003132000000000 ] - [ 0.0001322300000000, -0.0000963400000000, 0.0001728700000000 ] - [ -0.0000195100000000, 0.0000162400000000, 0.0001729500000000 ] - [ 0.0000046600000000, -0.0002328400000000, 0.0001371300000000 ] - [ 0.0006129600000000, -0.0004878600000000, -0.0006029500000000 ] - [ -0.0001123500000000, 0.0003656800000000, -0.0005076500000000 ] - [ -0.0001418000000000, -0.0000881300000000, -0.0001721900000000 ] - [ 0.0000675600000000, -0.0000700900000000, 0.0001163100000000 ] - [ -0.0002320500000000, -0.0001108600000000, 0.0001757400000000 ] - [ -0.0004258200000000, 0.0001402300000000, -0.0000941500000000 ] - [ -0.0000435300000000, 0.0001310400000000, -0.0001437400000000 ] - [ -0.0003236100000000, -0.0060347000000000, -0.0013696100000000 ] - [ -0.0001968700000000, 0.0000398000000000, 0.0001322200000000 ] - [ 0.0004426500000000, 0.0001755900000000, 0.0001234500000000 ] - [ 0.0001083100000000, 0.0003292200000000, -0.0001710500000000 ] - [ -0.0001062200000000, 0.0004237600000000, 0.0003172800000000 ] - [ -0.0000416900000000, -0.0003004800000000, 0.0000533600000000 ] - [ -0.0007242700000000, -0.0005378500000000, -0.0015796300000000 ] - [ 0.0000429900000000, -0.0000235600000000, 0.0001898300000000 ] - [ -0.0000983600000000, 0.0001443100000000, 0.0003061200000000 ] - [ -0.0003836200000000, -0.0001225800000000, -0.0000831700000000 ] - [ 0.0003486800000000, -0.0000673900000000, -0.0001808800000000 ] - [ -0.0001589400000000, 0.0002457600000000, 0.0001437500000000 ] - [ 0.0001512100000000, -0.0001547500000000, 0.0003114800000000 ] - [ -0.0001488900000000, 0.0005689400000000, -0.0002711200000000 ] - [ 0.0002276000000000, 0.0004523400000000, -0.0001002500000000 ]- atom: 10 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ -0.0001002500000000, 0.0002052500000000, 0.0003104000000000 ] - [ -0.0002059800000000, 0.0000547900000000, 0.0001141900000000 ] - [ 0.0005106400000000, -0.0000302400000000, 0.0004346400000000 ] - [ -0.0001890600000000, -0.0000255200000000, 0.0000654700000000 ] - [ 0.0000005600000000, 0.0000235400000000, 0.0000828400000000 ] - [ -0.0002308700000000, -0.0001977100000000, -0.0000106000000000 ] - [ -0.0001272400000000, 0.0004693200000000, 0.0003104800000000 ] - [ 0.0000800900000000, -0.0001528100000000, 0.0000539300000000 ] - [ -0.0002298200000000, 0.0002342500000000, 0.0001120500000000 ] - [ -0.0014624900000000, -0.0009073900000000, -0.0221667200000000 ] - [ 0.0002631400000000, -0.0000123100000000, -0.0002327100000000 ] - [ 0.0000260100000000, 0.0000860500000000, 0.0003777200000000 ] - [ -0.0002160800000000, -0.0001215400000000, 0.0000054600000000 ] - [ 0.0001472000000000, -0.0001239600000000, -0.0000633900000000 ] - [ -0.0000577900000000, 0.0000299700000000, 0.0001704600000000 ] - [ 0.0000527200000000, -0.0002912200000000, -0.0001849000000000 ] - [ -0.0001738800000000, 0.0000680500000000, -0.0000091800000000 ] - [ -0.0000581900000000, 0.0000213200000000, 0.0000238700000000 ] - [ 0.0001164400000000, -0.0000180300000000, 0.0000374700000000 ] - [ 0.0002156900000000, 0.0001404500000000, 0.0001708900000000 ] - [ -0.0002784500000000, 0.0003711100000000, -0.0000384800000000 ] - [ 0.0006975700000000, 0.0002634200000000, -0.0006380100000000 ] - [ -0.0002404700000000, -0.0001200300000000, -0.0000102900000000 ] - [ -0.0003248400000000, 0.0000977500000000, 0.0000774900000000 ] - [ 0.0002904200000000, 0.0003977600000000, -0.0002043100000000 ] - [ 0.0001648800000000, -0.0010771400000000, 0.0005252600000000 ] - [ 0.0005530700000000, -0.0000733800000000, -0.0003781300000000 ] - [ -0.0001871900000000, -0.0001870700000000, 0.0002471500000000 ] - [ 0.0001885400000000, 0.0002009300000000, 0.0000788700000000 ] - [ -0.0001717700000000, -0.0004345500000000, -0.0001338400000000 ] - [ -0.0000196200000000, 0.0002414800000000, 0.0002746200000000 ] - [ -0.0000390600000000, 0.0003891100000000, -0.0002872500000000 ] - [ 0.0008494400000000, -0.0025933900000000, -0.0006082800000000 ] - [ -0.0003040200000000, 0.0002404400000000, 0.0000901200000000 ] - [ -0.0005209300000000, -0.0000752300000000, 0.0002586400000000 ] - [ -0.0001994800000000, 0.0000106300000000, -0.0001142500000000 ] - [ 0.0000855200000000, -0.0002597900000000, 0.0006987700000000 ] - [ -0.0000719200000000, 0.0001877400000000, -0.0002725500000000 ] - [ -0.0012398900000000, 0.0004194900000000, -0.0004091000000000 ] - [ -0.0000297700000000, -0.0000015600000000, 0.0000704200000000 ] - [ -0.0000961200000000, -0.0000211000000000, -0.0001327800000000 ] - [ 0.0006698400000000, -0.0004248200000000, 0.0004165200000000 ] - [ 0.0001411900000000, -0.0002346400000000, 0.0005686100000000 ] - [ -0.0001929800000000, 0.0003108300000000, -0.0004807000000000 ] - [ 0.0003463900000000, 0.0000824400000000, 0.0005988100000000 ] - [ -0.0024904300000000, -0.0007499300000000, 0.0034936700000000 ] - [ 0.0000002900000000, 0.0004538200000000, 0.0004879000000000 ] - [ 0.0003694600000000, 0.0001264100000000, 0.0000508100000000 ] - [ 0.0000031100000000, 0.0000118800000000, -0.0003563000000000 ] - [ -0.0000535700000000, -0.0002885600000000, -0.0001322700000000 ] - [ 0.0004630800000000, 0.0001028600000000, 0.0005624700000000 ] - [ -0.0000091300000000, -0.0004254400000000, -0.0004783700000000 ] - [ 0.0004508600000000, 0.0001729100000000, -0.0003591200000000 ] - [ -0.0003218200000000, 0.0000022400000000, 0.0003267100000000 ] - [ 0.0001088100000000, 0.0001330500000000, 0.0001138300000000 ] - [ 0.0002258700000000, 0.0003316400000000, -0.0004720200000000 ] - [ 0.0033406200000000, 0.0002176700000000, 0.0081586400000000 ] - [ -0.0000469800000000, -0.0000467700000000, -0.0007224900000000 ] - [ 0.0000895800000000, -0.0000573500000000, -0.0000767500000000 ] - [ -0.0000505100000000, 0.0001519600000000, 0.0001164600000000 ] - [ -0.0022068900000000, -0.0002964200000000, 0.0013396100000000 ] - [ -0.0002056600000000, 0.0000873000000000, 0.0001342400000000 ] - [ 0.0000644700000000, -0.0002608200000000, 0.0002710300000000 ] - [ 0.0001246600000000, 0.0000292200000000, -0.0002895900000000 ] - [ 0.0000297900000000, 0.0001726500000000, 0.0001434500000000 ] - [ -0.0000315200000000, 0.0000487200000000, -0.0002297800000000 ] - [ -0.0027851100000000, 0.0001893700000000, 0.0007025400000000 ] - [ -0.0001052000000000, 0.0005044200000000, -0.0006011900000000 ] - [ -0.0001893200000000, -0.0001300000000000, -0.0001806800000000 ] - [ -0.0000505200000000, -0.0001048900000000, 0.0002806800000000 ] - [ -0.0001191000000000, -0.0001007000000000, -0.0000084800000000 ] - [ -0.0004515500000000, 0.0001568100000000, -0.0001392900000000 ] - [ 0.0003834900000000, -0.0000118500000000, -0.0005946400000000 ] - [ 0.0000216700000000, 0.0006247400000000, -0.0007863800000000 ] - [ -0.0001033200000000, -0.0005349700000000, 0.0003929000000000 ] - [ 0.0005128700000000, -0.0001800800000000, -0.0001472400000000 ] - [ 0.0001425900000000, 0.0004474400000000, -0.0002360000000000 ] - [ -0.0001268200000000, 0.0003753600000000, -0.0000889200000000 ] - [ -0.0000351500000000, -0.0002930400000000, -0.0000392800000000 ] - [ 0.0048198100000000, 0.0011860900000000, 0.0089959500000000 ] - [ -0.0000992800000000, -0.0001048700000000, 0.0001644000000000 ] - [ 0.0002092600000000, 0.0003726000000000, 0.0004406600000000 ] - [ -0.0004562300000000, -0.0001500200000000, -0.0000262400000000 ] - [ 0.0002989700000000, -0.0001420500000000, -0.0001759200000000 ] - [ -0.0002033500000000, 0.0002321900000000, 0.0002599100000000 ] - [ 0.0001128700000000, -0.0001860000000000, 0.0002249400000000 ] - [ -0.0001062100000000, 0.0004973600000000, -0.0002732900000000 ] - [ 0.0000443800000000, 0.0002724000000000, -0.0000462000000000 ]- atom: 10 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0000627900000000, 0.0002871200000000, 0.0002500500000000 ] - [ 0.0003316800000000, 0.0000774900000000, -0.0000921000000000 ] - [ -0.0000589000000000, -0.0001344100000000, -0.0004556700000000 ] - [ -0.0002319400000000, 0.0000226400000000, 0.0001608000000000 ] - [ -0.0000552000000000, 0.0000265300000000, 0.0001593800000000 ] - [ -0.0002389300000000, -0.0000894700000000, -0.0000077600000000 ] - [ -0.0002951400000000, -0.0004699500000000, -0.0000866400000000 ] - [ 0.0000450700000000, 0.0000218300000000, -0.0000323200000000 ] - [ -0.0001868900000000, 0.0002013600000000, 0.0001624800000000 ] - [ 0.0018588500000000, 0.0005990000000000, 0.0222597500000000 ] - [ 0.0001583900000000, 0.0000156600000000, 0.0000022700000000 ] - [ 0.0000325500000000, -0.0000337700000000, -0.0006204100000000 ] - [ -0.0002221000000000, -0.0000870400000000, -0.0000244200000000 ] - [ 0.0003073100000000, 0.0002877300000000, 0.0000450700000000 ] - [ 0.0000029300000000, -0.0000821800000000, 0.0000715700000000 ] - [ 0.0001112700000000, -0.0002014600000000, -0.0003790400000000 ] - [ -0.0002636200000000, 0.0001394500000000, -0.0000103300000000 ] - [ -0.0000658200000000, 0.0001093500000000, -0.0000501600000000 ] - [ 0.0003054100000000, 0.0000158200000000, -0.0002673900000000 ] - [ 0.0002233200000000, 0.0000679600000000, -0.0001557900000000 ] - [ -0.0001745500000000, -0.0002079300000000, 0.0000546700000000 ] - [ -0.0005327000000000, 0.0002302100000000, 0.0000784900000000 ] - [ -0.0002130500000000, -0.0000429200000000, 0.0000247400000000 ] - [ -0.0001458300000000, 0.0001900700000000, -0.0000951500000000 ] - [ 0.0001276100000000, -0.0008318400000000, -0.0000740800000000 ] - [ -0.0003270200000000, 0.0005778400000000, 0.0000308100000000 ] - [ -0.0000814100000000, -0.0002152000000000, 0.0003932300000000 ] - [ -0.0002297500000000, -0.0002490200000000, 0.0000326400000000 ] - [ 0.0002832000000000, 0.0000867600000000, -0.0000644400000000 ] - [ 0.0000486700000000, 0.0003018000000000, 0.0001064000000000 ] - [ 0.0004381400000000, 0.0001949800000000, -0.0005611800000000 ] - [ 0.0000957900000000, -0.0004387100000000, 0.0000408000000000 ] - [ -0.0008315300000000, 0.0026253700000000, 0.0005426400000000 ] - [ -0.0005080300000000, -0.0002989500000000, -0.0002401600000000 ] - [ -0.0002919600000000, 0.0001388900000000, -0.0004084000000000 ] - [ -0.0002502500000000, -0.0000987600000000, -0.0003216900000000 ] - [ 0.0003795500000000, -0.0001127600000000, -0.0001477600000000 ] - [ -0.0003929700000000, 0.0001776300000000, -0.0002821000000000 ] - [ 0.0007726300000000, -0.0007920000000000, -0.0001484200000000 ] - [ 0.0000088400000000, -0.0000269500000000, -0.0000004000000000 ] - [ 0.0000768500000000, 0.0000518800000000, 0.0002059000000000 ] - [ 0.0001450800000000, 0.0003646200000000, -0.0002764700000000 ] - [ 0.0003087500000000, 0.0003213300000000, -0.0001358200000000 ] - [ -0.0002582100000000, -0.0002293600000000, 0.0000414900000000 ] - [ 0.0001196900000000, 0.0002871600000000, -0.0000474600000000 ] - [ 0.0029118500000000, 0.0006734500000000, -0.0030017900000000 ] - [ 0.0000257900000000, -0.0004867100000000, -0.0005669600000000 ] - [ 0.0004436800000000, -0.0000652400000000, 0.0000901100000000 ] - [ -0.0000500500000000, -0.0000726700000000, -0.0000143500000000 ] - [ 0.0000788000000000, 0.0000246300000000, -0.0000163000000000 ] - [ -0.0001183600000000, 0.0002424100000000, 0.0000574700000000 ] - [ 0.0003031500000000, -0.0004351500000000, 0.0000659000000000 ] - [ 0.0000341100000000, -0.0000469600000000, -0.0000380800000000 ] - [ -0.0001622500000000, 0.0001224100000000, 0.0000697400000000 ] - [ -0.0000561100000000, 0.0001269300000000, 0.0002323700000000 ] - [ 0.0000571500000000, -0.0001874700000000, 0.0007771000000000 ] - [ -0.0026165100000000, -0.0004896400000000, -0.0082798600000000 ] - [ -0.0002970100000000, -0.0002969600000000, 0.0000983500000000 ] - [ -0.0003727100000000, 0.0002148600000000, -0.0002289100000000 ] - [ 0.0000279200000000, 0.0001124600000000, 0.0000268000000000 ] - [ 0.0022824500000000, 0.0005599400000000, -0.0014905500000000 ] - [ 0.0001558200000000, -0.0003498900000000, -0.0004852400000000 ] - [ 0.0000854400000000, -0.0002703400000000, 0.0004148100000000 ] - [ 0.0001579600000000, -0.0001882300000000, 0.0005924800000000 ] - [ 0.0000181600000000, -0.0001105900000000, 0.0002238000000000 ] - [ 0.0000102900000000, -0.0003129900000000, 0.0003736000000000 ] - [ 0.0025875500000000, -0.0007134400000000, -0.0013872800000000 ] - [ -0.0000443700000000, 0.0000276200000000, -0.0000892700000000 ] - [ -0.0000924400000000, -0.0000272900000000, -0.0001281800000000 ] - [ 0.0001009000000000, -0.0001550400000000, 0.0000661500000000 ] - [ -0.0003642000000000, -0.0000264000000000, 0.0003999200000000 ] - [ -0.0004119100000000, 0.0001455800000000, -0.0000371400000000 ] - [ -0.0004321900000000, 0.0002710200000000, 0.0002441800000000 ] - [ -0.0000658400000000, -0.0005303200000000, 0.0004270400000000 ] - [ -0.0001891800000000, -0.0003251200000000, 0.0000180800000000 ] - [ 0.0003506800000000, 0.0004795500000000, 0.0003211700000000 ] - [ -0.0000380400000000, 0.0001366100000000, 0.0001006400000000 ] - [ -0.0001670400000000, 0.0004850500000000, 0.0004978200000000 ] - [ -0.0000681500000000, -0.0002919900000000, 0.0001713600000000 ] - [ -0.0045586900000000, -0.0017131200000000, -0.0088050000000000 ] - [ 0.0001460300000000, 0.0000429300000000, 0.0002030600000000 ] - [ -0.0000583600000000, 0.0001577600000000, 0.0002454000000000 ] - [ -0.0004052300000000, -0.0001498300000000, -0.0001529600000000 ] - [ 0.0001852500000000, 0.0000166100000000, -0.0002234200000000 ] - [ 0.0000994700000000, 0.0003524700000000, -0.0001258700000000 ] - [ 0.0002363700000000, -0.0001585600000000, 0.0003942800000000 ] - [ -0.0002420400000000, -0.0001532900000000, -0.0003503700000000 ] - [ 0.0002488600000000, 0.0005871600000000, -0.0003677400000000 ]- atom: 33 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ 0.0000671600000000, 0.0002480400000000, 0.0000364400000000 ] - [ 0.0000049500000000, 0.0002074900000000, -0.0002257800000000 ] - [ 0.0003518000000000, -0.0000534900000000, 0.0000743800000000 ] - [ -0.0004120500000000, 0.0000914200000000, 0.0001564400000000 ] - [ -0.0001876300000000, -0.0000563900000000, 0.0000780500000000 ] - [ -0.0006339800000000, -0.0031317700000000, -0.0000240800000000 ] - [ 0.0002856400000000, -0.0003753100000000, 0.0000093100000000 ] - [ 0.0012125900000000, -0.0005025600000000, 0.0029093200000000 ] - [ 0.0001649800000000, 0.0003333400000000, 0.0002671700000000 ] - [ 0.0004259300000000, -0.0013170500000000, 0.0008674300000000 ] - [ 0.0024456400000000, -0.0000707700000000, -0.0008843700000000 ] - [ -0.0002877600000000, 0.0001776000000000, -0.0004370400000000 ] - [ 0.0001137300000000, -0.0002869600000000, -0.0000752900000000 ] - [ 0.0016689200000000, -0.0000168000000000, -0.0004597800000000 ] - [ -0.0001768600000000, 0.0000612600000000, 0.0000521500000000 ] - [ -0.0001276200000000, -0.0002635700000000, 0.0000459400000000 ] - [ -0.0001668200000000, 0.0001052500000000, -0.0000249400000000 ] - [ -0.0003096900000000, 0.0001945200000000, -0.0001981600000000 ] - [ 0.0001594300000000, -0.0000506300000000, 0.0000756200000000 ] - [ 0.0005047200000000, 0.0000769400000000, 0.0000046000000000 ] - [ -0.0000702500000000, 0.0003498600000000, -0.0000398300000000 ] - [ 0.0003033600000000, 0.0001443000000000, -0.0002879300000000 ] - [ -0.0000601300000000, -0.0001084400000000, 0.0002043900000000 ] - [ -0.0003690000000000, 0.0001206500000000, -0.0001284300000000 ] - [ 0.0010634500000000, -0.0004877200000000, 0.0016690800000000 ] - [ 0.0000566400000000, -0.0000790300000000, 0.0004249800000000 ] - [ 0.0000330900000000, 0.0032501600000000, 0.0004983600000000 ] - [ -0.0001395700000000, -0.0001886500000000, 0.0001775600000000 ] - [ -0.0001533100000000, 0.0001983900000000, -0.0004828000000000 ] - [ -0.0002742200000000, 0.0000292100000000, 0.0001117600000000 ] - [ 0.0004810000000000, -0.0002275500000000, -0.0002925300000000 ] - [ -0.0026814700000000, -0.0004984400000000, -0.0021554700000000 ] - [ -0.1045791700000000, 0.0028374900000000, 0.0165861100000000 ] - [ -0.0020692500000000, 0.0002617800000000, 0.0019447400000000 ] - [ 0.0004016700000000, 0.0001516000000000, 0.0000004300000000 ] - [ -0.0000035600000000, 0.0002292400000000, 0.0000064900000000 ] - [ 0.0016926700000000, 0.0071329300000000, -0.0030577900000000 ] - [ -0.0001952800000000, 0.0001824300000000, -0.0004601400000000 ] - [ 0.0005813500000000, 0.0000773600000000, 0.0000077200000000 ] - [ -0.0002986200000000, 0.0000258500000000, 0.0000587700000000 ] - [ -0.0008380400000000, -0.0003628800000000, 0.0005525100000000 ] - [ 0.0007822000000000, 0.0004880900000000, 0.0001254400000000 ] - [ 0.0075927200000000, 0.0105520200000000, -0.0149458500000000 ] - [ -0.0001993900000000, 0.0008792100000000, -0.0007198900000000 ] - [ 0.0000751400000000, -0.0000368900000000, 0.0001683600000000 ] - [ -0.0007956500000000, -0.0006552100000000, -0.0003211300000000 ] - [ 0.0002689100000000, -0.0005937200000000, -0.0001994100000000 ] - [ 0.0016451200000000, 0.0003126100000000, 0.0007821700000000 ] - [ -0.0001606000000000, -0.0000964200000000, -0.0000867700000000 ] - [ -0.0002792500000000, -0.0000108300000000, -0.0001155500000000 ] - [ 0.0002195100000000, -0.0003924300000000, 0.0003682500000000 ] - [ 0.0000131100000000, -0.0006728600000000, -0.0003304800000000 ] - [ -0.0003002700000000, -0.0007478200000000, -0.0011406100000000 ] - [ 0.0010844300000000, 0.0005559200000000, 0.0003070000000000 ] - [ 0.0002607500000000, 0.0000410500000000, 0.0002739100000000 ] - [ 0.0216920400000000, 0.0032807900000000, 0.0195190400000000 ] - [ 0.0075642300000000, -0.0099941700000000, -0.0037802100000000 ] - [ 0.0002116700000000, -0.0002608300000000, 0.0002276000000000 ] - [ -0.0002679100000000, 0.0000001200000000, -0.0001116600000000 ] - [ -0.0005630000000000, -0.0006793600000000, 0.0003820800000000 ] - [ -0.0007383600000000, 0.0000213800000000, -0.0000141700000000 ] - [ 0.0607858000000000, -0.0094399800000000, -0.0184220600000000 ] - [ -0.0001126300000000, -0.0000634300000000, -0.0001605700000000 ] - [ 0.0002056800000000, -0.0000370300000000, 0.0003372300000000 ] - [ -0.0009281300000000, -0.0001236000000000, -0.0001707600000000 ] - [ -0.0001724200000000, -0.0002022200000000, -0.0000183700000000 ] - [ 0.0007677200000000, 0.0009967800000000, -0.0009857900000000 ] - [ 0.0011463100000000, -0.0008578400000000, 0.0025884900000000 ] - [ -0.0001488400000000, -0.0001007300000000, -0.0002084800000000 ] - [ 0.0006301300000000, -0.0000809600000000, 0.0000530200000000 ] - [ -0.0004236800000000, 0.0004859200000000, 0.0011147100000000 ] - [ -0.0002819500000000, 0.0001566800000000, -0.0000925000000000 ] - [ 0.0001464500000000, 0.0005112200000000, 0.0001398100000000 ] - [ 0.0002300200000000, -0.0010961200000000, -0.0006831300000000 ] - [ -0.0001289500000000, -0.0011087700000000, -0.0004028000000000 ] - [ 0.0004994600000000, 0.0004280500000000, -0.0001152900000000 ] - [ 0.0034507600000000, 0.0013061300000000, -0.0018380100000000 ] - [ -0.0000483400000000, -0.0000668700000000, 0.0001948000000000 ] - [ 0.0000142300000000, -0.0001530700000000, 0.0000145900000000 ] - [ 0.0003938300000000, 0.0001133600000000, -0.0002902800000000 ] - [ -0.0001064800000000, -0.0000593200000000, 0.0001370900000000 ] - [ 0.0001280900000000, 0.0002221600000000, 0.0003759900000000 ] - [ -0.0007171400000000, 0.0006829400000000, -0.0002365700000000 ] - [ -0.0009450400000000, -0.0002836900000000, 0.0003392700000000 ] - [ -0.0004414600000000, -0.0000143700000000, 0.0001857500000000 ] - [ 0.0001168300000000, -0.0002225300000000, 0.0002447300000000 ] - [ 0.0002602600000000, -0.0019382500000000, 0.0004114400000000 ] - [ -0.0004103500000000, 0.0005457800000000, -0.0004858500000000 ]- atom: 33 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0002372900000000, 0.0002490700000000, 0.0005269700000000 ] - [ 0.0001152200000000, -0.0000740600000000, 0.0002485500000000 ] - [ 0.0000995200000000, -0.0001104000000000, -0.0000913900000000 ] - [ -0.0000109400000000, -0.0000943900000000, 0.0000736900000000 ] - [ 0.0001278400000000, 0.0001057900000000, 0.0001664100000000 ] - [ 0.0001572100000000, 0.0028653600000000, 0.0000076700000000 ] - [ -0.0007074900000000, 0.0003846300000000, 0.0002192100000000 ] - [ -0.0011081200000000, 0.0003770800000000, -0.0029105500000000 ] - [ -0.0005858600000000, 0.0001008600000000, 0.0000096000000000 ] - [ 0.0000047600000000, 0.0011099400000000, -0.0008502800000000 ] - [ -0.0020130500000000, 0.0000736100000000, 0.0006494800000000 ] - [ 0.0003443200000000, -0.0001260600000000, 0.0001958700000000 ] - [ -0.0005568200000000, 0.0000785000000000, 0.0000591700000000 ] - [ -0.0012105300000000, 0.0001832500000000, 0.0004495600000000 ] - [ 0.0001184700000000, -0.0001138100000000, 0.0001921200000000 ] - [ 0.0002922800000000, -0.0002304800000000, -0.0006054200000000 ] - [ -0.0002749600000000, 0.0001028200000000, 0.0000078100000000 ] - [ 0.0001837200000000, -0.0000619100000000, 0.0001769400000000 ] - [ 0.0002580300000000, 0.0000490300000000, -0.0003052900000000 ] - [ -0.0000681600000000, 0.0001315300000000, 0.0000093100000000 ] - [ -0.0003873300000000, -0.0001860100000000, 0.0000565800000000 ] - [ -0.0001412800000000, 0.0003521700000000, -0.0002664900000000 ] - [ -0.0003970700000000, -0.0000539800000000, -0.0001878100000000 ] - [ -0.0001043300000000, 0.0001678000000000, 0.0001120200000000 ] - [ -0.0006441300000000, 0.0000528700000000, -0.0019559500000000 ] - [ -0.0002252200000000, -0.0004150200000000, 0.0001314500000000 ] - [ 0.0004331800000000, -0.0035638900000000, -0.0004789900000000 ] - [ -0.0002815900000000, -0.0002469600000000, 0.0001052100000000 ] - [ 0.0006201100000000, 0.0000893000000000, 0.0004972000000000 ] - [ 0.0001471100000000, -0.0001598100000000, -0.0001355400000000 ] - [ -0.0000649200000000, 0.0006598000000000, 0.0000091200000000 ] - [ 0.0027464300000000, 0.0004457600000000, 0.0019258700000000 ] - [ 0.1070930600000000, -0.0037304400000000, -0.0183846900000000 ] - [ 0.0012622900000000, -0.0003185500000000, -0.0020819000000000 ] - [ -0.0012181700000000, -0.0000907300000000, -0.0001368400000000 ] - [ -0.0004519600000000, -0.0003130200000000, -0.0004498500000000 ] - [ -0.0012212000000000, -0.0075136600000000, 0.0036126100000000 ] - [ -0.0002704500000000, 0.0001869800000000, -0.0000898600000000 ] - [ -0.0010439000000000, -0.0004473400000000, -0.0005615800000000 ] - [ 0.0002742800000000, -0.0000554100000000, 0.0000191700000000 ] - [ 0.0008121500000000, 0.0003952600000000, -0.0004699700000000 ] - [ 0.0000170400000000, -0.0005431400000000, 0.0000207300000000 ] - [ -0.0073190200000000, -0.0104586200000000, 0.0154352200000000 ] - [ -0.0002512900000000, -0.0008072000000000, 0.0002713100000000 ] - [ 0.0003873300000000, 0.0004065500000000, 0.0003827700000000 ] - [ 0.0012492900000000, 0.0005777800000000, 0.0007638300000000 ] - [ -0.0002569800000000, 0.0005720000000000, 0.0001330800000000 ] - [ -0.0008344400000000, -0.0002533400000000, -0.0006573200000000 ] - [ 0.0001105600000000, 0.0000325800000000, -0.0002817600000000 ] - [ 0.0002982100000000, -0.0002526300000000, -0.0000286300000000 ] - [ 0.0001289600000000, 0.0007426100000000, 0.0002532300000000 ] - [ 0.0002790500000000, -0.0001900400000000, -0.0000815900000000 ] - [ 0.0007927800000000, 0.0008805900000000, 0.0007554700000000 ] - [ -0.0015801800000000, -0.0004424700000000, 0.0000841900000000 ] - [ -0.0002123900000000, 0.0002186700000000, 0.0000768500000000 ] - [ -0.0209387500000000, -0.0028388000000000, -0.0185345000000000 ] - [ -0.0068085600000000, 0.0098003300000000, 0.0040064000000000 ] - [ -0.0005629100000000, -0.0000824500000000, -0.0008504300000000 ] - [ -0.0000187200000000, 0.0001584500000000, -0.0001927900000000 ] - [ 0.0005364100000000, 0.0009474000000000, -0.0002417300000000 ] - [ 0.0007475800000000, 0.0002446600000000, -0.0001314200000000 ] - [ -0.0633492100000000, 0.0096788000000000, 0.0190327900000000 ] - [ 0.0002638000000000, -0.0004712000000000, 0.0008535300000000 ] - [ 0.0000745000000000, -0.0001202300000000, -0.0000323900000000 ] - [ 0.0009737600000000, 0.0001848300000000, 0.0005302600000000 ] - [ 0.0001482500000000, -0.0000615300000000, 0.0001639300000000 ] - [ -0.0009342600000000, -0.0015242800000000, 0.0002915700000000 ] - [ -0.0013034800000000, 0.0013797700000000, -0.0032843400000000 ] - [ -0.0001349900000000, -0.0000553700000000, -0.0000949300000000 ] - [ -0.0005790300000000, -0.0001764200000000, 0.0002946700000000 ] - [ -0.0000664900000000, -0.0006122400000000, -0.0007224800000000 ] - [ -0.0005846200000000, 0.0001445700000000, -0.0000807000000000 ] - [ -0.0002004200000000, -0.0002511600000000, -0.0004874800000000 ] - [ -0.0002820400000000, 0.0011585000000000, 0.0003155700000000 ] - [ -0.0001687900000000, 0.0002513900000000, 0.0008189100000000 ] - [ 0.0003611700000000, -0.0001276600000000, 0.0002910600000000 ] - [ -0.0032982700000000, -0.0007253000000000, 0.0016828400000000 ] - [ -0.0002460500000000, 0.0009263100000000, 0.0002147600000000 ] - [ -0.0001210000000000, -0.0004299400000000, 0.0001193600000000 ] - [ -0.0002945800000000, -0.0006978500000000, 0.0001549400000000 ] - [ 0.0001499300000000, -0.0000036400000000, 0.0002340500000000 ] - [ 0.0000186700000000, 0.0003081300000000, 0.0003115500000000 ] - [ -0.0001454400000000, -0.0009834000000000, 0.0000587200000000 ] - [ 0.0014376500000000, 0.0001604900000000, -0.0007308400000000 ] - [ 0.0003348800000000, 0.0005996200000000, -0.0000495000000000 ] - [ 0.0002292000000000, -0.0001195300000000, 0.0003801600000000 ] - [ -0.0006152600000000, 0.0022904200000000, -0.0010345000000000 ] - [ 0.0007029000000000, 0.0003084900000000, 0.0000863800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001085000000000, 0.0008140900000000, 0.0001146400000000 ] - [ 0.0001618500000000, -0.0000114000000000, -0.0000676700000000 ] - [ 0.0001518400000000, -0.0001527600000000, 0.0000882300000000 ] - [ -0.0002201200000000, 0.0000228400000000, 0.0001877400000000 ] - [ -0.0000563600000000, 0.0001018000000000, 0.0000795500000000 ] - [ -0.0010842700000000, 0.0002360400000000, 0.0002253700000000 ] - [ -0.0001514500000000, 0.0019717100000000, 0.0000396600000000 ] - [ -0.0005007400000000, -0.0001916400000000, -0.0002406700000000 ] - [ -0.0000904800000000, 0.0003154800000000, 0.0001590000000000 ] - [ -0.0011726200000000, 0.0000593800000000, -0.0026677700000000 ] - [ -0.0003083200000000, 0.0005169000000000, 0.0000241400000000 ] - [ 0.0010448100000000, -0.0006586400000000, 0.0023669500000000 ] - [ -0.0001286000000000, -0.0000223200000000, 0.0000310500000000 ] - [ 0.0008689300000000, -0.0002293300000000, -0.0002455500000000 ] - [ 0.0001326100000000, 0.0001134500000000, 0.0001860200000000 ] - [ 0.0006236600000000, -0.0003357400000000, -0.0005769800000000 ] - [ -0.0002480000000000, 0.0000921000000000, 0.0000026000000000 ] - [ -0.0001029000000000, 0.0006897500000000, -0.0001526400000000 ] - [ 0.0001954200000000, -0.0000243100000000, 0.0000295600000000 ] - [ 0.0003956900000000, 0.0001849500000000, -0.0004542200000000 ] - [ -0.0003611000000000, 0.0003680600000000, -0.0001496300000000 ] - [ 0.0000876000000000, 0.0000861200000000, -0.0004254700000000 ] - [ -0.0002582300000000, -0.0000284100000000, 0.0000807000000000 ] - [ -0.0001322300000000, 0.0000686600000000, 0.0002117000000000 ] - [ 0.0004188200000000, -0.0001278100000000, 0.0009192800000000 ] - [ -0.0001170600000000, -0.0001960600000000, 0.0002007300000000 ] - [ 0.0033265800000000, 0.0000605800000000, -0.0010520600000000 ] - [ -0.0003935300000000, -0.0001934700000000, 0.0002490300000000 ] - [ 0.0000332900000000, 0.0001980500000000, -0.0004304400000000 ] - [ 0.0000173300000000, 0.0000774900000000, -0.0001857100000000 ] - [ -0.0020525700000000, -0.0004346100000000, 0.0010845600000000 ] - [ -0.0004650100000000, -0.0000976300000000, 0.0007939800000000 ] - [ 0.0028376900000000, -0.1058659300000000, 0.0042759000000000 ] - [ -0.0002541000000000, 0.0014120700000000, -0.0003803700000000 ] - [ -0.0009107200000000, 0.0006232500000000, 0.0008731400000000 ] - [ -0.0002423100000000, -0.0000563200000000, -0.0002288500000000 ] - [ 0.0025199200000000, 0.0040188700000000, 0.0023297000000000 ] - [ -0.0002408200000000, 0.0004355400000000, -0.0003029700000000 ] - [ -0.0008414200000000, 0.0003847900000000, -0.0001663800000000 ] - [ 0.0000334000000000, 0.0001753400000000, 0.0000864200000000 ] - [ 0.0003675600000000, -0.0000393800000000, -0.0001934900000000 ] - [ 0.0007859300000000, -0.0011459900000000, -0.0001458200000000 ] - [ 0.0117983600000000, 0.0237699400000000, -0.0317215700000000 ] - [ 0.0000000500000000, -0.0002761200000000, -0.0002213300000000 ] - [ 0.0002110300000000, 0.0001511800000000, 0.0005288300000000 ] - [ -0.0005804300000000, 0.0001979100000000, 0.0000331600000000 ] - [ 0.0005946700000000, -0.0006688800000000, 0.0000511300000000 ] - [ 0.0004051100000000, -0.0004606400000000, 0.0006449100000000 ] - [ 0.0000807100000000, -0.0006445700000000, -0.0004194500000000 ] - [ 0.0000205100000000, -0.0001927500000000, -0.0000063300000000 ] - [ 0.0007150700000000, 0.0006694300000000, 0.0006643000000000 ] - [ -0.0002785000000000, 0.0000235100000000, -0.0004597900000000 ] - [ 0.0002150000000000, 0.0006413400000000, 0.0002153300000000 ] - [ -0.0002787600000000, -0.0004222800000000, 0.0000745100000000 ] - [ 0.0000090200000000, -0.0001678200000000, 0.0001156200000000 ] - [ 0.0044268200000000, 0.0054315600000000, 0.0040673400000000 ] - [ -0.0092670500000000, 0.0605071300000000, 0.0157550100000000 ] - [ -0.0001568600000000, 0.0000144600000000, -0.0005193400000000 ] - [ -0.0001221800000000, 0.0000396700000000, -0.0001549800000000 ] - [ -0.0001316700000000, -0.0002611900000000, 0.0000422300000000 ] - [ -0.0006021800000000, -0.0000473100000000, -0.0007569000000000 ] - [ -0.0083837300000000, 0.0072252000000000, 0.0020010000000000 ] - [ 0.0001357400000000, -0.0003846100000000, 0.0004085900000000 ] - [ -0.0000285800000000, 0.0000639900000000, -0.0002731400000000 ] - [ 0.0000360400000000, 0.0003036300000000, 0.0004022900000000 ] - [ 0.0001144000000000, -0.0001481100000000, -0.0001863500000000 ] - [ 0.0003254700000000, -0.0001229800000000, 0.0003471200000000 ] - [ 0.0006525600000000, -0.0002322400000000, 0.0027069300000000 ] - [ -0.0001946500000000, -0.0001925300000000, -0.0001567100000000 ] - [ -0.0005182400000000, -0.0003774100000000, 0.0003166200000000 ] - [ -0.0000643800000000, -0.0011358200000000, -0.0006480600000000 ] - [ -0.0004463000000000, 0.0000319200000000, -0.0001360500000000 ] - [ -0.0000621600000000, 0.0006831900000000, 0.0000368300000000 ] - [ -0.0002263000000000, -0.0007920700000000, 0.0000647800000000 ] - [ -0.0001214500000000, -0.0011066900000000, -0.0000117200000000 ] - [ 0.0003549500000000, 0.0004427400000000, 0.0000979800000000 ] - [ -0.0026044300000000, 0.0004706700000000, 0.0018259300000000 ] - [ 0.0004724500000000, -0.0006325300000000, -0.0003880700000000 ] - [ -0.0000591500000000, -0.0004472600000000, 0.0001014200000000 ] - [ 0.0002291700000000, 0.0000963300000000, -0.0001363000000000 ] - [ 0.0000320500000000, 0.0001185500000000, 0.0000584900000000 ] - [ 0.0000608400000000, 0.0002612600000000, 0.0004749800000000 ] - [ -0.0008252100000000, -0.0000558400000000, 0.0000012600000000 ] - [ -0.0000213200000000, -0.0001113100000000, -0.0004319900000000 ] - [ -0.0000061000000000, 0.0004247400000000, 0.0000719100000000 ] - [ 0.0002391000000000, -0.0003152800000000, 0.0002795300000000 ] - [ 0.0001333800000000, 0.0036037100000000, -0.0005440000000000 ] - [ -0.0000613500000000, 0.0008086200000000, -0.0007889100000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002738700000000, -0.0003190200000000, 0.0004447400000000 ] - [ -0.0000406700000000, 0.0001464800000000, 0.0000887800000000 ] - [ 0.0003024000000000, -0.0000087800000000, -0.0001064200000000 ] - [ -0.0002026200000000, -0.0000229300000000, 0.0000398600000000 ] - [ -0.0000009700000000, -0.0000495100000000, 0.0001631700000000 ] - [ 0.0006101600000000, -0.0005175900000000, -0.0002422600000000 ] - [ -0.0002681100000000, -0.0019566500000000, 0.0001849100000000 ] - [ 0.0006256900000000, 0.0000623600000000, 0.0002638800000000 ] - [ -0.0003274900000000, 0.0001216000000000, 0.0001167400000000 ] - [ 0.0016221900000000, -0.0002633700000000, 0.0027063500000000 ] - [ 0.0007345000000000, -0.0005116200000000, -0.0002558500000000 ] - [ -0.0009954700000000, 0.0007139700000000, -0.0026337100000000 ] - [ -0.0003126500000000, -0.0001831400000000, -0.0000489300000000 ] - [ -0.0004192200000000, 0.0003973300000000, 0.0002286900000000 ] - [ -0.0001901900000000, -0.0001643000000000, 0.0000560500000000 ] - [ -0.0004584400000000, -0.0001550000000000, 0.0000159100000000 ] - [ -0.0001914800000000, 0.0001174200000000, -0.0000210800000000 ] - [ -0.0000210100000000, -0.0005585000000000, 0.0001296900000000 ] - [ 0.0002255700000000, 0.0000250800000000, -0.0002602200000000 ] - [ 0.0000432000000000, 0.0000258600000000, 0.0004716400000000 ] - [ -0.0000940200000000, -0.0002035100000000, 0.0001649000000000 ] - [ 0.0000762700000000, 0.0004104300000000, -0.0001304600000000 ] - [ -0.0001965000000000, -0.0001322900000000, -0.0000646600000000 ] - [ -0.0003374300000000, 0.0002220600000000, -0.0002307800000000 ] - [ -0.0000035800000000, -0.0003024500000000, -0.0012025200000000 ] - [ -0.0000480900000000, -0.0002960600000000, 0.0003538700000000 ] - [ -0.0028835500000000, -0.0003563100000000, 0.0010770300000000 ] - [ -0.0000251100000000, -0.0002409700000000, 0.0000326000000000 ] - [ 0.0004362400000000, 0.0000933400000000, 0.0004488400000000 ] - [ -0.0001413900000000, -0.0002088700000000, 0.0001627900000000 ] - [ 0.0024861600000000, 0.0008696800000000, -0.0013784700000000 ] - [ 0.0005234500000000, 0.0000483900000000, -0.0010433300000000 ] - [ -0.0037606400000000, 0.1080552900000000, -0.0027353000000000 ] - [ -0.0005613000000000, -0.0014703300000000, 0.0002398100000000 ] - [ 0.0000998300000000, -0.0005614100000000, -0.0010129400000000 ] - [ -0.0002085500000000, -0.0000215800000000, -0.0002167800000000 ] - [ -0.0020216300000000, -0.0043901500000000, -0.0017589200000000 ] - [ -0.0002272900000000, -0.0000610100000000, -0.0002421300000000 ] - [ 0.0003819800000000, -0.0007620300000000, -0.0003867700000000 ] - [ -0.0000504900000000, -0.0001996100000000, -0.0000142300000000 ] - [ -0.0003908300000000, 0.0000679900000000, 0.0002643600000000 ] - [ 0.0000204000000000, 0.0010962300000000, 0.0002888900000000 ] - [ -0.0111227700000000, -0.0235935300000000, 0.0315354700000000 ] - [ -0.0004503900000000, 0.0003574800000000, -0.0002214300000000 ] - [ 0.0002536700000000, 0.0002231600000000, 0.0000160600000000 ] - [ 0.0010303300000000, -0.0002806700000000, 0.0004139600000000 ] - [ -0.0005773500000000, 0.0006476700000000, -0.0001255800000000 ] - [ 0.0004120800000000, 0.0005202600000000, -0.0005095700000000 ] - [ -0.0001299500000000, 0.0005860200000000, 0.0000510400000000 ] - [ 0.0000018100000000, -0.0000687700000000, -0.0001411100000000 ] - [ -0.0003681300000000, -0.0003180100000000, -0.0000428000000000 ] - [ 0.0005739400000000, -0.0008825800000000, 0.0000463800000000 ] - [ 0.0002811000000000, -0.0005163000000000, -0.0006117300000000 ] - [ -0.0002080500000000, 0.0005514600000000, 0.0003217100000000 ] - [ 0.0000402900000000, 0.0004303700000000, 0.0002320000000000 ] - [ -0.0041158300000000, -0.0053296700000000, -0.0037397600000000 ] - [ 0.0106856400000000, -0.0632323200000000, -0.0164143700000000 ] - [ -0.0001888200000000, -0.0003541200000000, -0.0001045500000000 ] - [ -0.0001608300000000, 0.0001204300000000, -0.0001493700000000 ] - [ 0.0001095500000000, 0.0005363700000000, 0.0000980100000000 ] - [ 0.0006021300000000, 0.0003180200000000, 0.0006165300000000 ] - [ 0.0084880100000000, -0.0075984400000000, -0.0024066400000000 ] - [ 0.0000130200000000, -0.0001447400000000, 0.0002775400000000 ] - [ 0.0003101300000000, -0.0002195900000000, 0.0005783300000000 ] - [ 0.0000091500000000, -0.0002396700000000, -0.0000369800000000 ] - [ -0.0001352600000000, -0.0001125400000000, 0.0003293300000000 ] - [ -0.0004752200000000, -0.0004061800000000, -0.0010419300000000 ] - [ -0.0008150000000000, 0.0007698500000000, -0.0034125700000000 ] - [ -0.0000870800000000, 0.0000369800000000, -0.0001481400000000 ] - [ 0.0005724900000000, 0.0001246400000000, 0.0000291700000000 ] - [ -0.0004266200000000, 0.0010143300000000, 0.0010359700000000 ] - [ -0.0004191200000000, 0.0002710300000000, -0.0000397000000000 ] - [ 0.0000119200000000, -0.0004214200000000, -0.0003851900000000 ] - [ 0.0001795000000000, 0.0008681200000000, -0.0004351900000000 ] - [ -0.0001717000000000, 0.0002517200000000, 0.0004241600000000 ] - [ 0.0005071500000000, -0.0001422300000000, 0.0000785400000000 ] - [ 0.0027313600000000, 0.0001158500000000, -0.0019681100000000 ] - [ -0.0007612600000000, 0.0014909100000000, 0.0007939400000000 ] - [ -0.0000434300000000, -0.0001338600000000, 0.0000315000000000 ] - [ -0.0001271800000000, -0.0006764100000000, -0.0000045000000000 ] - [ 0.0000135200000000, -0.0001801700000000, 0.0003095600000000 ] - [ 0.0000873300000000, 0.0002728700000000, 0.0002103700000000 ] - [ -0.0000354800000000, -0.0002400500000000, -0.0001799300000000 ] - [ 0.0005054600000000, -0.0000132200000000, 0.0000354500000000 ] - [ -0.0000980500000000, 0.0001631900000000, 0.0000627700000000 ] - [ 0.0001075700000000, -0.0000241200000000, 0.0003411400000000 ] - [ -0.0004939700000000, -0.0031507900000000, -0.0000809200000000 ] - [ 0.0003489500000000, 0.0000521800000000, 0.0003734100000000 ]- atom: 33 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ -0.0004899700000000, -0.0001339300000000, 0.0001749500000000 ] - [ 0.0000101300000000, 0.0000772800000000, 0.0001279900000000 ] - [ 0.0002059300000000, -0.0000761700000000, 0.0001225200000000 ] - [ -0.0001514600000000, -0.0000284400000000, 0.0002802400000000 ] - [ -0.0001050300000000, 0.0000214400000000, 0.0001880500000000 ] - [ -0.0000586500000000, 0.0008206800000000, -0.0001313600000000 ] - [ -0.0001659400000000, 0.0005729800000000, 0.0007572400000000 ] - [ 0.0008119700000000, -0.0001961900000000, -0.0011105600000000 ] - [ -0.0001477500000000, 0.0002971200000000, 0.0002539200000000 ] - [ 0.0004065900000000, -0.0014940200000000, -0.0006037400000000 ] - [ 0.0002344900000000, -0.0000739200000000, 0.0003528400000000 ] - [ 0.0001266300000000, 0.0008331100000000, 0.0006005000000000 ] - [ -0.0000832900000000, -0.0000838000000000, -0.0001656900000000 ] - [ 0.0010374900000000, -0.0002381700000000, -0.0011314900000000 ] - [ 0.0000138800000000, -0.0000044800000000, 0.0001686400000000 ] - [ -0.0004337800000000, -0.0002650300000000, -0.0001649000000000 ] - [ -0.0002489900000000, 0.0000847500000000, 0.0000236200000000 ] - [ 0.0001111400000000, -0.0003991400000000, 0.0001284400000000 ] - [ 0.0002133700000000, 0.0000135900000000, -0.0000510600000000 ] - [ 0.0000760400000000, 0.0000777500000000, 0.0005314200000000 ] - [ -0.0004092100000000, 0.0004132900000000, 0.0000132800000000 ] - [ 0.0001384900000000, 0.0000956700000000, -0.0003163000000000 ] - [ -0.0002821200000000, -0.0000746600000000, 0.0000625200000000 ] - [ -0.0002339800000000, 0.0002112100000000, 0.0000101000000000 ] - [ 0.0002313500000000, -0.0001885900000000, 0.0006411700000000 ] - [ -0.0001037800000000, -0.0002935100000000, 0.0002162600000000 ] - [ 0.0009398700000000, -0.0010504000000000, -0.0006450600000000 ] - [ -0.0002587500000000, -0.0001938100000000, 0.0001479400000000 ] - [ 0.0003046500000000, 0.0000928100000000, 0.0003436900000000 ] - [ -0.0000269700000000, -0.0000539100000000, -0.0001786300000000 ] - [ -0.0002138100000000, 0.0007159300000000, 0.0002169900000000 ] - [ -0.0010723400000000, 0.0002769500000000, 0.0020829900000000 ] - [ 0.0221025200000000, 0.0026619500000000, -0.0939573800000000 ] - [ -0.0000044900000000, 0.0010739900000000, 0.0009075100000000 ] - [ -0.0002489300000000, -0.0002573800000000, -0.0000581800000000 ] - [ -0.0003758200000000, -0.0000701200000000, -0.0002403100000000 ] - [ -0.0018481200000000, 0.0069782100000000, -0.0049063500000000 ] - [ -0.0004483000000000, 0.0002380200000000, -0.0000780600000000 ] - [ -0.0003939200000000, 0.0001249000000000, -0.0001464500000000 ] - [ 0.0000248000000000, 0.0000328000000000, 0.0000841000000000 ] - [ 0.0005407000000000, 0.0002652900000000, -0.0001145200000000 ] - [ 0.0004338900000000, -0.0008288700000000, -0.0003473200000000 ] - [ -0.0153104100000000, -0.0330271500000000, 0.0446132900000000 ] - [ -0.0001780500000000, -0.0000885800000000, -0.0003386700000000 ] - [ 0.0003095400000000, 0.0004262600000000, 0.0004381500000000 ] - [ 0.0004274500000000, 0.0000498400000000, 0.0008744100000000 ] - [ -0.0001721400000000, -0.0000697800000000, 0.0002600900000000 ] - [ 0.0008252200000000, -0.0001773900000000, 0.0008715300000000 ] - [ 0.0000138200000000, 0.0003275800000000, -0.0003769700000000 ] - [ 0.0001961600000000, -0.0001253500000000, -0.0002848500000000 ] - [ 0.0003672900000000, 0.0002732000000000, 0.0005110900000000 ] - [ 0.0002172400000000, -0.0004620900000000, -0.0002676000000000 ] - [ 0.0001716600000000, 0.0003992100000000, 0.0002438500000000 ] - [ -0.0001835000000000, -0.0006669900000000, -0.0002097400000000 ] - [ 0.0000976200000000, 0.0002223100000000, 0.0001128300000000 ] - [ 0.0197805800000000, 0.0030670800000000, 0.0269304400000000 ] - [ -0.0029908600000000, 0.0138945000000000, 0.0102335600000000 ] - [ -0.0003213400000000, -0.0001206500000000, -0.0006631600000000 ] - [ -0.0002772900000000, -0.0000021900000000, -0.0002123000000000 ] - [ -0.0003596300000000, -0.0014560300000000, 0.0011641100000000 ] - [ -0.0002758400000000, -0.0000059800000000, -0.0002304300000000 ] - [ -0.0248879100000000, 0.0036351000000000, 0.0120741200000000 ] - [ 0.0000435700000000, -0.0002623600000000, 0.0005385300000000 ] - [ 0.0000953700000000, -0.0000621800000000, -0.0000379000000000 ] - [ 0.0013829800000000, 0.0002682000000000, 0.0009798300000000 ] - [ 0.0000639400000000, -0.0001376100000000, -0.0000615400000000 ] - [ -0.0000541500000000, -0.0003281400000000, -0.0003144300000000 ] - [ -0.0001870300000000, 0.0006973900000000, -0.0003753500000000 ] - [ -0.0001645800000000, -0.0001264700000000, -0.0002116700000000 ] - [ -0.0006244700000000, -0.0002341000000000, 0.0003508200000000 ] - [ -0.0001073500000000, 0.0003536500000000, 0.0003209500000000 ] - [ -0.0004614900000000, 0.0001448200000000, -0.0001223800000000 ] - [ 0.0000308100000000, -0.0001190400000000, -0.0005494900000000 ] - [ -0.0001297600000000, -0.0012436300000000, 0.0003413500000000 ] - [ -0.0001009100000000, -0.0007776200000000, 0.0002807000000000 ] - [ 0.0004582400000000, 0.0001444100000000, -0.0003544300000000 ] - [ 0.0015142300000000, 0.0007130700000000, -0.0007739000000000 ] - [ 0.0000490500000000, 0.0005504900000000, -0.0000803500000000 ] - [ 0.0000435200000000, -0.0002445300000000, 0.0000299600000000 ] - [ 0.0000355800000000, -0.0001924600000000, -0.0002836700000000 ] - [ -0.0000371700000000, 0.0000286900000000, 0.0000172500000000 ] - [ 0.0001788300000000, 0.0002749500000000, 0.0003491200000000 ] - [ -0.0004417800000000, -0.0004392200000000, -0.0000388200000000 ] - [ -0.0004567400000000, -0.0000761300000000, 0.0000192100000000 ] - [ -0.0000879700000000, 0.0003056200000000, 0.0000714500000000 ] - [ 0.0001702100000000, -0.0001634900000000, 0.0001056300000000 ] - [ 0.0010792300000000, 0.0040600400000000, 0.0009616800000000 ] - [ 0.0000997100000000, 0.0007975800000000, -0.0009958600000000 ]- atom: 33 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ 0.0003276100000000, 0.0006238200000000, 0.0003869600000000 ] - [ 0.0001129900000000, 0.0000555800000000, -0.0001001000000000 ] - [ 0.0002491600000000, -0.0000883000000000, -0.0001427000000000 ] - [ -0.0002669800000000, 0.0000226600000000, -0.0000544100000000 ] - [ 0.0000505000000000, 0.0000274100000000, 0.0000547200000000 ] - [ -0.0004132600000000, -0.0011080200000000, 0.0001153600000000 ] - [ -0.0002518000000000, -0.0005738500000000, -0.0005340600000000 ] - [ -0.0006898400000000, 0.0000653700000000, 0.0011327100000000 ] - [ -0.0002704600000000, 0.0001372200000000, 0.0000207900000000 ] - [ 0.0000353600000000, 0.0012830500000000, 0.0006254900000000 ] - [ 0.0001889200000000, 0.0000797400000000, -0.0005831600000000 ] - [ -0.0000741300000000, -0.0007866100000000, -0.0008556000000000 ] - [ -0.0003541800000000, -0.0001264900000000, 0.0001463100000000 ] - [ -0.0005799400000000, 0.0004002900000000, 0.0011082500000000 ] - [ -0.0000689300000000, -0.0000484900000000, 0.0000746100000000 ] - [ 0.0005920500000000, -0.0002279100000000, -0.0003963700000000 ] - [ -0.0001885100000000, 0.0001233700000000, -0.0000429700000000 ] - [ -0.0002366200000000, 0.0005304600000000, -0.0001549200000000 ] - [ 0.0002054000000000, -0.0000188300000000, -0.0001775300000000 ] - [ 0.0003645000000000, 0.0001313200000000, -0.0005118100000000 ] - [ -0.0000460700000000, -0.0002493700000000, 0.0000051900000000 ] - [ 0.0000236500000000, 0.0003970200000000, -0.0002413800000000 ] - [ -0.0001726900000000, -0.0000891200000000, -0.0000457800000000 ] - [ -0.0002383500000000, 0.0000765600000000, -0.0000268000000000 ] - [ 0.0001863400000000, -0.0002453800000000, -0.0009297700000000 ] - [ -0.0000596400000000, -0.0002012400000000, 0.0003383500000000 ] - [ -0.0004686100000000, 0.0007638500000000, 0.0006580700000000 ] - [ -0.0001596200000000, -0.0002430300000000, 0.0001313400000000 ] - [ 0.0001673800000000, 0.0001934800000000, -0.0003287800000000 ] - [ -0.0000978800000000, -0.0000811600000000, 0.0001508100000000 ] - [ 0.0006359700000000, -0.0002816800000000, -0.0005007500000000 ] - [ 0.0011206800000000, -0.0003201800000000, -0.0023062800000000 ] - [ -0.0230587600000000, -0.0040055700000000, 0.0946353600000000 ] - [ -0.0008057500000000, -0.0011396200000000, -0.0010490500000000 ] - [ -0.0005616200000000, 0.0003177500000000, -0.0000864300000000 ] - [ -0.0000718000000000, -0.0000088300000000, -0.0002036800000000 ] - [ 0.0023036600000000, -0.0073302300000000, 0.0054395600000000 ] - [ -0.0000154200000000, 0.0001297000000000, -0.0004725200000000 ] - [ -0.0000678300000000, -0.0004952600000000, -0.0004078700000000 ] - [ -0.0000467500000000, -0.0000606800000000, -0.0000122100000000 ] - [ -0.0005638800000000, -0.0002310700000000, 0.0001989400000000 ] - [ 0.0003755000000000, 0.0007679500000000, 0.0004893800000000 ] - [ 0.0162687500000000, 0.0341405500000000, -0.0451839400000000 ] - [ -0.0002689500000000, 0.0001630300000000, -0.0001128200000000 ] - [ 0.0001552100000000, -0.0000589500000000, 0.0001136500000000 ] - [ 0.0000269500000000, -0.0001265400000000, -0.0004225400000000 ] - [ 0.0001887400000000, 0.0000393200000000, -0.0003384400000000 ] - [ -0.0000116500000000, 0.0002371500000000, -0.0007359700000000 ] - [ -0.0000620700000000, -0.0003925200000000, 0.0000061000000000 ] - [ -0.0001744000000000, -0.0001391100000000, 0.0001368400000000 ] - [ -0.0000204900000000, 0.0000720600000000, 0.0001104900000000 ] - [ 0.0000764800000000, -0.0004017500000000, -0.0001469700000000 ] - [ 0.0003173000000000, -0.0002730700000000, -0.0006388000000000 ] - [ -0.0003028400000000, 0.0007901600000000, 0.0006059400000000 ] - [ -0.0000446200000000, 0.0000381500000000, 0.0002352000000000 ] - [ -0.0188799100000000, -0.0026475200000000, -0.0261447300000000 ] - [ 0.0038579600000000, -0.0141831300000000, -0.0099742100000000 ] - [ -0.0000248000000000, -0.0002232300000000, 0.0000385900000000 ] - [ -0.0000074600000000, 0.0001592200000000, -0.0000941700000000 ] - [ 0.0003389400000000, 0.0017169200000000, -0.0010171000000000 ] - [ 0.0002886900000000, 0.0002714900000000, 0.0000847200000000 ] - [ 0.0246598300000000, -0.0038467800000000, -0.0125347700000000 ] - [ 0.0001084100000000, -0.0002712400000000, 0.0001500400000000 ] - [ 0.0001886300000000, -0.0000954400000000, 0.0003405200000000 ] - [ -0.0013329500000000, -0.0002052200000000, -0.0006111700000000 ] - [ -0.0000838000000000, -0.0001263200000000, 0.0002063000000000 ] - [ -0.0000951700000000, -0.0002010800000000, -0.0003808400000000 ] - [ 0.0000079000000000, -0.0001627900000000, -0.0003723700000000 ] - [ -0.0001175700000000, -0.0000318300000000, -0.0000942200000000 ] - [ 0.0006797500000000, -0.0000251600000000, -0.0000049400000000 ] - [ -0.0003802200000000, -0.0004765300000000, 0.0000748200000000 ] - [ -0.0004025100000000, 0.0001567600000000, -0.0000544200000000 ] - [ -0.0000812100000000, 0.0003757100000000, 0.0001994700000000 ] - [ 0.0000849900000000, 0.0013234000000000, -0.0007141100000000 ] - [ -0.0001898000000000, -0.0000758800000000, 0.0001364200000000 ] - [ 0.0004037900000000, 0.0001556000000000, 0.0005323900000000 ] - [ -0.0013554400000000, -0.0001251600000000, 0.0006076200000000 ] - [ -0.0003410200000000, 0.0003084500000000, 0.0004914800000000 ] - [ -0.0001514900000000, -0.0003381400000000, 0.0001030300000000 ] - [ 0.0000672400000000, -0.0003934800000000, 0.0001445500000000 ] - [ 0.0000822800000000, -0.0000938900000000, 0.0003520200000000 ] - [ -0.0000273300000000, 0.0002562600000000, 0.0003393100000000 ] - [ -0.0004197000000000, 0.0001382900000000, -0.0001404800000000 ] - [ 0.0009490000000000, -0.0000498600000000, -0.0004170100000000 ] - [ -0.0000197200000000, 0.0002778900000000, 0.0000650400000000 ] - [ 0.0001758300000000, -0.0001807700000000, 0.0005136200000000 ] - [ -0.0014323900000000, -0.0037011500000000, -0.0015846400000000 ] - [ 0.0001904600000000, 0.0000604000000000, 0.0005832000000000 ]- atom: 34 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ 0.0002330500000000, 0.0003033800000000, 0.0002178500000000 ] - [ -0.0000992600000000, 0.0000480600000000, -0.0000149400000000 ] - [ 0.0002571300000000, -0.0001591000000000, -0.0000535500000000 ] - [ -0.0033273200000000, -0.0000863700000000, -0.0021716600000000 ] - [ 0.0020155100000000, -0.0001965100000000, -0.0005461900000000 ] - [ 0.0008465300000000, 0.0001637000000000, 0.0025389000000000 ] - [ -0.0002098100000000, -0.0000673900000000, -0.0001167400000000 ] - [ -0.0000309800000000, -0.0001307900000000, 0.0001544500000000 ] - [ 0.0015051200000000, 0.0000763200000000, -0.0002024900000000 ] - [ 0.0008725000000000, -0.0001737000000000, 0.0001451200000000 ] - [ 0.0003622400000000, 0.0001251300000000, -0.0000437500000000 ] - [ -0.0000221800000000, -0.0000638700000000, -0.0001964700000000 ] - [ -0.0004178200000000, -0.0001101300000000, 0.0002422400000000 ] - [ 0.0003699500000000, 0.0000260800000000, -0.0000135700000000 ] - [ -0.0000366900000000, 0.0000037900000000, 0.0002812300000000 ] - [ 0.0002098700000000, -0.0002067300000000, -0.0001326100000000 ] - [ 0.0000368100000000, 0.0001842900000000, -0.0000297600000000 ] - [ -0.0004748000000000, 0.0001983900000000, -0.0004642100000000 ] - [ 0.0001966800000000, -0.0000339400000000, -0.0001055700000000 ] - [ 0.0001950000000000, 0.0000034400000000, -0.0001086500000000 ] - [ -0.0001475200000000, 0.0007410500000000, -0.0002204500000000 ] - [ 0.0000957100000000, 0.0002091900000000, -0.0002999900000000 ] - [ 0.0007884400000000, 0.0001140700000000, 0.0016732500000000 ] - [ -0.0003648900000000, -0.0000119600000000, -0.0001132000000000 ] - [ 0.0001125000000000, -0.0018378600000000, -0.0001017600000000 ] - [ 0.0001141600000000, 0.0019330200000000, 0.0006050400000000 ] - [ 0.0000392600000000, -0.0001541700000000, -0.0000394000000000 ] - [ -0.0000875000000000, -0.0002501100000000, 0.0002265100000000 ] - [ 0.0002964300000000, 0.0004155800000000, -0.0004324500000000 ] - [ 0.0003782800000000, -0.0034209700000000, 0.0005489600000000 ] - [ 0.0003089500000000, 0.0001630800000000, -0.0001595100000000 ] - [ -0.0003550700000000, 0.0028088300000000, -0.0000322800000000 ] - [ -0.0016654600000000, 0.0001681200000000, 0.0002647300000000 ] - [ -0.1082767100000000, 0.0001092000000000, 0.0005495200000000 ] - [ -0.0001600500000000, 0.0006977700000000, -0.0001454800000000 ] - [ -0.0002985500000000, 0.0001111100000000, -0.0004542900000000 ] - [ 0.0095501200000000, -0.0126886200000000, -0.0168781400000000 ] - [ 0.0005933000000000, 0.0002950600000000, -0.0005430300000000 ] - [ -0.0002629800000000, -0.0001104300000000, -0.0004050500000000 ] - [ 0.0012252500000000, -0.0000256800000000, 0.0005184200000000 ] - [ 0.0003693000000000, -0.0003746400000000, 0.0000897700000000 ] - [ 0.0005208000000000, -0.0000012300000000, 0.0002643500000000 ] - [ 0.0010308600000000, -0.0011426900000000, 0.0002587800000000 ] - [ 0.0007676800000000, -0.0001249100000000, 0.0002981600000000 ] - [ -0.0004402100000000, 0.0006083200000000, 0.0003527300000000 ] - [ 0.0001838800000000, -0.0000781500000000, 0.0005127600000000 ] - [ 0.0008159700000000, 0.0004948200000000, 0.0001711000000000 ] - [ 0.0016829900000000, -0.0001409400000000, 0.0002192400000000 ] - [ 0.0002572800000000, -0.0005271400000000, -0.0006501900000000 ] - [ -0.0010287600000000, 0.0006616300000000, -0.0004800000000000 ] - [ -0.0001533200000000, 0.0001743900000000, 0.0003266900000000 ] - [ -0.0000333300000000, -0.0003053200000000, -0.0003194100000000 ] - [ 0.0002381000000000, 0.0000776200000000, -0.0004135600000000 ] - [ 0.0568035000000000, 0.0132804400000000, -0.0134308500000000 ] - [ -0.0010958600000000, 0.0003590000000000, 0.0004499500000000 ] - [ 0.0011329100000000, 0.0015162300000000, 0.0004071400000000 ] - [ 0.0008055700000000, -0.0002524300000000, 0.0002241400000000 ] - [ 0.0004365600000000, -0.0005281400000000, -0.0002831700000000 ] - [ -0.0002792000000000, 0.0002333100000000, -0.0001519700000000 ] - [ 0.0024035000000000, -0.0004784000000000, -0.0014584000000000 ] - [ 0.0003523600000000, 0.0003549100000000, -0.0001951900000000 ] - [ 0.0003614500000000, -0.0009050600000000, -0.0010110200000000 ] - [ 0.0001400100000000, -0.0002434000000000, 0.0003797600000000 ] - [ 0.0003317800000000, -0.0006136500000000, 0.0003528300000000 ] - [ -0.0000106300000000, -0.0000212900000000, 0.0001010600000000 ] - [ -0.0000203300000000, -0.0007709700000000, -0.0003953300000000 ] - [ 0.0003097100000000, -0.0006358800000000, -0.0006814800000000 ] - [ 0.0001130000000000, 0.0007429300000000, 0.0000531700000000 ] - [ -0.0002583500000000, -0.0001843600000000, -0.0001590900000000 ] - [ -0.0004641000000000, 0.0005123500000000, -0.0006885400000000 ] - [ -0.0001155300000000, -0.0002308500000000, 0.0004011200000000 ] - [ -0.0006197500000000, 0.0002301800000000, -0.0000220900000000 ] - [ 0.0001965000000000, 0.0003070600000000, 0.0000246400000000 ] - [ 0.0049281700000000, 0.0034809600000000, -0.0012090500000000 ] - [ 0.0311339500000000, -0.0077725400000000, 0.0293054900000000 ] - [ -0.0004430600000000, -0.0002261200000000, 0.0000657400000000 ] - [ 0.0000718400000000, 0.0004858700000000, 0.0000340700000000 ] - [ -0.0002540300000000, 0.0002610500000000, 0.0001941100000000 ] - [ -0.0002334900000000, -0.0003585500000000, 0.0000766500000000 ] - [ 0.0001275700000000, -0.0001592900000000, -0.0000747400000000 ] - [ -0.0003806800000000, -0.0000943200000000, 0.0003015100000000 ] - [ -0.0007079600000000, 0.0008391000000000, 0.0003251500000000 ] - [ -0.0010110100000000, 0.0000077700000000, -0.0003903000000000 ] - [ -0.0008547800000000, -0.0000519700000000, -0.0001289200000000 ] - [ -0.0009087900000000, 0.0003373300000000, 0.0000194900000000 ] - [ -0.0000631100000000, -0.0002766400000000, 0.0002830300000000 ] - [ 0.0001353600000000, 0.0016969100000000, 0.0030685000000000 ] - [ -0.0006395500000000, 0.0006663700000000, -0.0003588900000000 ]- atom: 34 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0003985000000000, 0.0001903400000000, 0.0003437200000000 ] - [ 0.0002219700000000, 0.0000856000000000, 0.0000390700000000 ] - [ 0.0001971100000000, -0.0000047200000000, 0.0000383000000000 ] - [ 0.0029124300000000, 0.0000891900000000, 0.0024106500000000 ] - [ -0.0020588200000000, 0.0002381700000000, 0.0007846600000000 ] - [ -0.0013310300000000, -0.0004568400000000, -0.0025706500000000 ] - [ -0.0002089800000000, 0.0000701000000000, 0.0003480400000000 ] - [ 0.0001545000000000, 0.0000000100000000, -0.0001311800000000 ] - [ -0.0019085300000000, 0.0003556500000000, 0.0004820600000000 ] - [ -0.0004337000000000, -0.0000373000000000, -0.0001283900000000 ] - [ 0.0000591200000000, -0.0001217000000000, -0.0001823100000000 ] - [ 0.0000793300000000, 0.0001158600000000, -0.0000454500000000 ] - [ -0.0000228800000000, -0.0000979900000000, -0.0002561600000000 ] - [ 0.0000833700000000, 0.0001352300000000, -0.0000007000000000 ] - [ -0.0000205600000000, -0.0000565800000000, -0.0000376900000000 ] - [ -0.0000441600000000, -0.0002871400000000, -0.0004282800000000 ] - [ -0.0004764500000000, 0.0000226300000000, 0.0000154600000000 ] - [ 0.0003506700000000, -0.0000678700000000, 0.0004437100000000 ] - [ 0.0002244300000000, 0.0000316300000000, -0.0001216700000000 ] - [ 0.0002448400000000, 0.0002047300000000, 0.0001279900000000 ] - [ -0.0003053600000000, -0.0005746100000000, 0.0002343100000000 ] - [ 0.0000696900000000, 0.0002849100000000, -0.0002540000000000 ] - [ -0.0012371400000000, -0.0002796000000000, -0.0016617700000000 ] - [ -0.0001056000000000, 0.0002996700000000, 0.0000977700000000 ] - [ 0.0003072800000000, 0.0013969100000000, -0.0001735100000000 ] - [ -0.0002851200000000, -0.0024209700000000, -0.0000474000000000 ] - [ 0.0004319200000000, -0.0001347800000000, 0.0000587500000000 ] - [ -0.0003305600000000, -0.0001867700000000, 0.0000557900000000 ] - [ 0.0001720700000000, -0.0001270200000000, 0.0004512300000000 ] - [ -0.0005074100000000, 0.0033145000000000, -0.0005700000000000 ] - [ 0.0001092700000000, 0.0002726900000000, -0.0001193400000000 ] - [ 0.0004088600000000, -0.0028773800000000, -0.0002103600000000 ] - [ 0.0016914100000000, -0.0001449800000000, -0.0003371100000000 ] - [ 0.1094774100000000, 0.0010575300000000, -0.0024910600000000 ] - [ -0.0006532100000000, -0.0006362600000000, 0.0000052400000000 ] - [ -0.0001487500000000, -0.0001934400000000, 0.0000135000000000 ] - [ -0.0092366400000000, 0.0122723600000000, 0.0174232700000000 ] - [ -0.0010622500000000, 0.0000738700000000, -0.0000081700000000 ] - [ -0.0002015900000000, -0.0002585800000000, -0.0001471800000000 ] - [ -0.0012499000000000, -0.0000043400000000, -0.0004480100000000 ] - [ -0.0003948200000000, 0.0003917900000000, -0.0000175500000000 ] - [ 0.0002902200000000, -0.0000599000000000, -0.0001181800000000 ] - [ -0.0005847800000000, 0.0012264500000000, 0.0001819000000000 ] - [ -0.0012136800000000, 0.0002063700000000, -0.0007390900000000 ] - [ 0.0009067500000000, -0.0002379100000000, 0.0002014200000000 ] - [ 0.0002697000000000, -0.0000036600000000, -0.0000771800000000 ] - [ -0.0008037200000000, -0.0005311100000000, -0.0002352400000000 ] - [ -0.0008629200000000, 0.0001977900000000, -0.0000727100000000 ] - [ -0.0003037300000000, 0.0004629400000000, 0.0002782300000000 ] - [ 0.0010533100000000, -0.0009308100000000, 0.0003384200000000 ] - [ 0.0004994000000000, 0.0001682600000000, 0.0002980800000000 ] - [ 0.0003268800000000, -0.0005553700000000, -0.0000902200000000 ] - [ 0.0002481700000000, 0.0000479200000000, 0.0000218700000000 ] - [ -0.0596510000000000, -0.0138804000000000, 0.0145739200000000 ] - [ 0.0011576100000000, -0.0001000600000000, -0.0001001600000000 ] - [ -0.0008554800000000, -0.0013759800000000, -0.0000976800000000 ] - [ 0.0000554400000000, -0.0000457100000000, -0.0000492500000000 ] - [ -0.0007860500000000, 0.0001801300000000, -0.0003389400000000 ] - [ -0.0000026200000000, -0.0000749500000000, -0.0001494700000000 ] - [ -0.0023719000000000, 0.0007450900000000, 0.0015793200000000 ] - [ -0.0003312900000000, -0.0000934100000000, 0.0000514400000000 ] - [ -0.0004105300000000, 0.0006526500000000, 0.0006690800000000 ] - [ 0.0000103000000000, -0.0002886500000000, 0.0003112600000000 ] - [ -0.0000482700000000, 0.0004566200000000, -0.0000471200000000 ] - [ 0.0000578500000000, 0.0000837200000000, 0.0002694600000000 ] - [ -0.0000011900000000, 0.0005063500000000, 0.0005413900000000 ] - [ -0.0004600300000000, 0.0001032100000000, -0.0000047400000000 ] - [ -0.0002636800000000, -0.0002136100000000, -0.0007420300000000 ] - [ -0.0000229900000000, 0.0000306900000000, -0.0001409400000000 ] - [ 0.0005250500000000, -0.0007763700000000, 0.0010451800000000 ] - [ -0.0003690500000000, 0.0001043700000000, -0.0000056400000000 ] - [ -0.0002438700000000, 0.0000708700000000, -0.0001517400000000 ] - [ -0.0002472800000000, -0.0000472700000000, -0.0003717600000000 ] - [ -0.0050329400000000, -0.0036207500000000, 0.0009326800000000 ] - [ -0.0309210100000000, 0.0066946900000000, -0.0279806500000000 ] - [ 0.0013076200000000, 0.0005501900000000, 0.0000999400000000 ] - [ 0.0000334900000000, 0.0001013800000000, -0.0001643500000000 ] - [ -0.0000397300000000, 0.0005975800000000, 0.0002184000000000 ] - [ 0.0001279000000000, -0.0002258600000000, 0.0000591600000000 ] - [ -0.0000238600000000, -0.0004247800000000, -0.0000575400000000 ] - [ 0.0004239100000000, 0.0000275200000000, 0.0000704500000000 ] - [ 0.0008619500000000, -0.0003108500000000, 0.0003636100000000 ] - [ 0.0001482400000000, -0.0003066500000000, 0.0002113800000000 ] - [ 0.0013341900000000, -0.0000712900000000, -0.0002682300000000 ] - [ 0.0007967800000000, 0.0002436900000000, 0.0001194900000000 ] - [ 0.0004116200000000, -0.0000672900000000, 0.0003406100000000 ] - [ -0.0004952300000000, -0.0013469600000000, -0.0037051600000000 ] - [ 0.0009266900000000, 0.0001966300000000, -0.0000542900000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001514500000000, -0.0000204400000000, 0.0007138500000000 ] - [ -0.0001002500000000, 0.0000162900000000, 0.0001196800000000 ] - [ 0.0003146600000000, -0.0001865000000000, 0.0000931600000000 ] - [ -0.0001196500000000, -0.0003619400000000, -0.0006651900000000 ] - [ 0.0011069500000000, 0.0002906400000000, -0.0003347700000000 ] - [ 0.0001995900000000, -0.0001313600000000, 0.0005012100000000 ] - [ -0.0012774700000000, -0.0003304400000000, -0.0024581100000000 ] - [ 0.0001212600000000, 0.0000189600000000, -0.0000100600000000 ] - [ -0.0005898500000000, 0.0001543000000000, 0.0000859700000000 ] - [ 0.0002721900000000, 0.0021748700000000, 0.0002777200000000 ] - [ 0.0002167000000000, 0.0000827900000000, -0.0001509900000000 ] - [ -0.0000267800000000, 0.0001244400000000, -0.0002713200000000 ] - [ -0.0008105400000000, -0.0001526700000000, 0.0003555000000000 ] - [ 0.0000804000000000, 0.0005958800000000, -0.0000176200000000 ] - [ -0.0000376700000000, -0.0000733500000000, 0.0000033600000000 ] - [ 0.0000811600000000, -0.0001527800000000, -0.0001448100000000 ] - [ -0.0001871900000000, 0.0000411800000000, 0.0000895100000000 ] - [ 0.0000806900000000, -0.0000784800000000, 0.0003316900000000 ] - [ 0.0002140700000000, -0.0000356100000000, -0.0001406500000000 ] - [ 0.0001251400000000, 0.0001280300000000, 0.0001143000000000 ] - [ 0.0023459800000000, -0.0005579500000000, -0.0011321400000000 ] - [ 0.0002629600000000, 0.0004009000000000, -0.0001617800000000 ] - [ -0.0004071700000000, 0.0002004300000000, -0.0009271900000000 ] - [ -0.0003915400000000, 0.0000753600000000, 0.0000104300000000 ] - [ -0.0002664000000000, 0.0002537900000000, -0.0007144300000000 ] - [ 0.0016379800000000, -0.0000894200000000, 0.0030852500000000 ] - [ -0.0000052200000000, 0.0000070500000000, -0.0000938700000000 ] - [ -0.0000685100000000, -0.0002639400000000, 0.0000085700000000 ] - [ 0.0002729400000000, 0.0002307100000000, 0.0000608100000000 ] - [ -0.0032141600000000, -0.0002870500000000, 0.0011320100000000 ] - [ 0.0002538900000000, 0.0003698200000000, -0.0002806000000000 ] - [ 0.0007328500000000, 0.0007210200000000, -0.0003508100000000 ] - [ 0.0003107600000000, 0.0014439500000000, 0.0010891300000000 ] - [ -0.0010655800000000, -0.0986612700000000, 0.0056861600000000 ] - [ -0.0010801100000000, -0.0006559900000000, -0.0005168900000000 ] - [ -0.0002514100000000, 0.0003475700000000, -0.0001721400000000 ] - [ -0.0110982200000000, 0.0218730700000000, 0.0299916300000000 ] - [ 0.0002336800000000, 0.0006011800000000, -0.0003850500000000 ] - [ 0.0006013800000000, -0.0005982900000000, -0.0003937700000000 ] - [ 0.0002709200000000, -0.0005091500000000, -0.0001570100000000 ] - [ -0.0005219700000000, -0.0011188200000000, 0.0008098400000000 ] - [ 0.0003795200000000, 0.0004672700000000, 0.0000603900000000 ] - [ -0.0000832000000000, 0.0013592900000000, -0.0002343400000000 ] - [ 0.0003389300000000, 0.0004528500000000, -0.0001363300000000 ] - [ 0.0011493400000000, 0.0002599000000000, 0.0003517800000000 ] - [ 0.0000043900000000, 0.0001675100000000, 0.0009956800000000 ] - [ -0.0001116300000000, 0.0005742100000000, 0.0002509100000000 ] - [ 0.0002377100000000, 0.0000247300000000, 0.0000691200000000 ] - [ -0.0000094400000000, 0.0003107900000000, 0.0000567600000000 ] - [ -0.0004510000000000, 0.0001101500000000, -0.0007203300000000 ] - [ 0.0000213500000000, 0.0002697900000000, 0.0002172300000000 ] - [ 0.0001381500000000, -0.0005576300000000, -0.0001347300000000 ] - [ 0.0001594000000000, -0.0000692200000000, -0.0000799900000000 ] - [ 0.0123325900000000, 0.0091084200000000, -0.0029771300000000 ] - [ -0.0001141500000000, 0.0003196400000000, 0.0003860100000000 ] - [ -0.0002529000000000, 0.0015065400000000, 0.0006561700000000 ] - [ 0.0007653400000000, -0.0015785600000000, -0.0000064700000000 ] - [ -0.0004017700000000, -0.0003767700000000, -0.0007389600000000 ] - [ 0.0002212800000000, 0.0001881900000000, 0.0000550900000000 ] - [ 0.0029915400000000, 0.0000736000000000, -0.0026961600000000 ] - [ -0.0009615600000000, -0.0001500800000000, 0.0002352500000000 ] - [ -0.0001546700000000, -0.0005290300000000, -0.0001084300000000 ] - [ -0.0000064400000000, -0.0004242800000000, 0.0002675000000000 ] - [ 0.0000422800000000, -0.0001671500000000, -0.0000361500000000 ] - [ -0.0000364100000000, -0.0003256600000000, 0.0001445900000000 ] - [ -0.0001366600000000, 0.0004216300000000, 0.0004877200000000 ] - [ 0.0001927500000000, -0.0010488400000000, -0.0009201100000000 ] - [ -0.0001450900000000, -0.0002592700000000, -0.0005857600000000 ] - [ -0.0000865400000000, 0.0000358700000000, 0.0001723600000000 ] - [ 0.0000757200000000, 0.0005694100000000, -0.0006982500000000 ] - [ -0.0001421900000000, 0.0001701100000000, 0.0003722700000000 ] - [ -0.0005321800000000, 0.0002676700000000, -0.0000545100000000 ] - [ 0.0000517500000000, -0.0001681600000000, -0.0004277400000000 ] - [ 0.0038817000000000, 0.0576326100000000, -0.0192166100000000 ] - [ -0.0064744500000000, 0.0068755700000000, -0.0067973900000000 ] - [ 0.0003446300000000, -0.0003255300000000, -0.0000522100000000 ] - [ 0.0000789200000000, -0.0000614800000000, -0.0002032300000000 ] - [ -0.0000870000000000, 0.0007007700000000, 0.0010763300000000 ] - [ -0.0000959000000000, -0.0003667200000000, -0.0000698800000000 ] - [ 0.0001665500000000, -0.0010404000000000, -0.0006285300000000 ] - [ -0.0000057700000000, -0.0001071900000000, 0.0001896200000000 ] - [ -0.0007274000000000, 0.0007536800000000, 0.0000986100000000 ] - [ -0.0000793300000000, 0.0004259400000000, -0.0002332000000000 ] - [ 0.0004660300000000, -0.0002506700000000, -0.0002443500000000 ] - [ -0.0000125500000000, 0.0000465100000000, 0.0005444600000000 ] - [ 0.0000431800000000, -0.0002395400000000, 0.0002818800000000 ] - [ -0.0011200300000000, -0.0013576100000000, -0.0039253000000000 ] - [ 0.0000801900000000, 0.0004243800000000, -0.0001242500000000 ]- atom: 34 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000158100000000, 0.0005091800000000, -0.0001487200000000 ] - [ 0.0002230600000000, 0.0001141600000000, -0.0000955000000000 ] - [ 0.0001400900000000, 0.0000196400000000, -0.0001073800000000 ] - [ -0.0003001200000000, 0.0003585000000000, 0.0008901900000000 ] - [ -0.0011611300000000, -0.0002472400000000, 0.0005793800000000 ] - [ -0.0006684100000000, -0.0001611500000000, -0.0005167800000000 ] - [ 0.0008506600000000, 0.0003378100000000, 0.0026727800000000 ] - [ 0.0000035800000000, -0.0001527400000000, 0.0000346800000000 ] - [ 0.0001726300000000, 0.0002769400000000, 0.0001927100000000 ] - [ 0.0001671100000000, -0.0023875700000000, -0.0002709600000000 ] - [ 0.0002059800000000, -0.0000826700000000, -0.0000757600000000 ] - [ 0.0000836700000000, -0.0000743000000000, 0.0000318600000000 ] - [ 0.0003695000000000, -0.0000581500000000, -0.0003692700000000 ] - [ 0.0003740700000000, -0.0004343700000000, 0.0000024600000000 ] - [ -0.0000180700000000, 0.0000184700000000, 0.0002418400000000 ] - [ 0.0000864900000000, -0.0003437400000000, -0.0004130000000000 ] - [ -0.0002514900000000, 0.0001625600000000, -0.0001036000000000 ] - [ -0.0002034800000000, 0.0002053700000000, -0.0003505900000000 ] - [ 0.0002078600000000, 0.0000305100000000, -0.0000847700000000 ] - [ 0.0003144500000000, 0.0000767300000000, -0.0000933200000000 ] - [ -0.0027825400000000, 0.0007212000000000, 0.0011422100000000 ] - [ -0.0000958200000000, 0.0000910500000000, -0.0003924300000000 ] - [ -0.0000455900000000, -0.0003688800000000, 0.0009451400000000 ] - [ -0.0000785300000000, 0.0002104000000000, -0.0000254900000000 ] - [ 0.0006857600000000, -0.0007000300000000, 0.0004406500000000 ] - [ -0.0017916200000000, -0.0003975600000000, -0.0025062700000000 ] - [ 0.0004767400000000, -0.0002977500000000, 0.0001128100000000 ] - [ -0.0003466500000000, -0.0001753600000000, 0.0002766100000000 ] - [ 0.0001968200000000, 0.0000554700000000, -0.0000405500000000 ] - [ 0.0030692500000000, 0.0001583500000000, -0.0011451700000000 ] - [ 0.0001628000000000, 0.0000646500000000, 0.0000018000000000 ] - [ -0.0006791500000000, -0.0007808200000000, 0.0001084100000000 ] - [ -0.0002853200000000, -0.0014311400000000, -0.0011582000000000 ] - [ -0.0001803300000000, 0.0965936100000000, -0.0042506900000000 ] - [ 0.0002631700000000, 0.0007090300000000, 0.0003754300000000 ] - [ -0.0001978800000000, -0.0004320800000000, -0.0002638700000000 ] - [ 0.0117826300000000, -0.0223152800000000, -0.0299812000000000 ] - [ -0.0006984400000000, -0.0002322200000000, -0.0001620400000000 ] - [ -0.0010686900000000, 0.0002258000000000, -0.0001546900000000 ] - [ -0.0002898200000000, 0.0004778600000000, 0.0002310800000000 ] - [ 0.0004955400000000, 0.0011363300000000, -0.0007311100000000 ] - [ 0.0004358600000000, -0.0005287100000000, 0.0000847600000000 ] - [ 0.0005324600000000, -0.0012692800000000, 0.0006761500000000 ] - [ -0.0007834500000000, -0.0003708900000000, -0.0003081600000000 ] - [ -0.0006813700000000, 0.0001114800000000, 0.0002017600000000 ] - [ 0.0004470100000000, -0.0002520600000000, -0.0005535200000000 ] - [ 0.0001274100000000, -0.0006022300000000, -0.0003149900000000 ] - [ 0.0005785700000000, 0.0000289900000000, 0.0000727800000000 ] - [ -0.0000377400000000, -0.0003743600000000, -0.0004219500000000 ] - [ 0.0004734100000000, -0.0003786300000000, 0.0005736400000000 ] - [ 0.0003251000000000, 0.0000696300000000, 0.0004087300000000 ] - [ 0.0001557600000000, -0.0003057400000000, -0.0002748800000000 ] - [ 0.0003261500000000, 0.0001919900000000, -0.0003124700000000 ] - [ -0.0127738700000000, -0.0088622300000000, 0.0033573700000000 ] - [ 0.0001657500000000, -0.0000623100000000, -0.0000341600000000 ] - [ 0.0005294200000000, -0.0014360400000000, -0.0003614500000000 ] - [ 0.0000934300000000, 0.0012795400000000, 0.0001763000000000 ] - [ 0.0000561000000000, 0.0000296400000000, 0.0001131800000000 ] - [ -0.0005013400000000, -0.0000338900000000, -0.0003554200000000 ] - [ -0.0029874900000000, 0.0001870800000000, 0.0028335600000000 ] - [ 0.0009863000000000, 0.0004086600000000, -0.0003785800000000 ] - [ 0.0001053800000000, 0.0002680500000000, -0.0002358400000000 ] - [ 0.0001556800000000, -0.0001100900000000, 0.0004206200000000 ] - [ 0.0002406700000000, 0.0000062200000000, 0.0003407100000000 ] - [ 0.0000840000000000, 0.0003835300000000, 0.0002245200000000 ] - [ 0.0001160300000000, -0.0006918100000000, -0.0003433200000000 ] - [ -0.0003403300000000, 0.0005082800000000, 0.0002335200000000 ] - [ -0.0000056100000000, 0.0007840200000000, -0.0001019300000000 ] - [ -0.0001975200000000, -0.0001954500000000, -0.0004749200000000 ] - [ -0.0000102500000000, -0.0008284300000000, 0.0010494900000000 ] - [ -0.0003409000000000, -0.0002999200000000, 0.0000229200000000 ] - [ -0.0003314500000000, 0.0000285000000000, -0.0001182200000000 ] - [ -0.0000999800000000, 0.0004229400000000, 0.0000788300000000 ] - [ -0.0037165000000000, -0.0553716900000000, 0.0178320200000000 ] - [ 0.0060906400000000, -0.0076203800000000, 0.0070886700000000 ] - [ 0.0005198600000000, 0.0006233700000000, 0.0002263700000000 ] - [ 0.0000250500000000, 0.0006419400000000, 0.0000706100000000 ] - [ -0.0002069900000000, 0.0001559000000000, -0.0006557600000000 ] - [ -0.0000069400000000, -0.0002208500000000, 0.0002042300000000 ] - [ -0.0000632600000000, 0.0004457700000000, 0.0004949700000000 ] - [ 0.0000519100000000, 0.0000400300000000, 0.0001815500000000 ] - [ 0.0008802400000000, -0.0002291200000000, 0.0005898100000000 ] - [ -0.0007822000000000, -0.0007245900000000, 0.0000592400000000 ] - [ 0.0000166400000000, 0.0001225400000000, -0.0001508100000000 ] - [ -0.0001024600000000, 0.0005327000000000, -0.0004031400000000 ] - [ 0.0003033100000000, -0.0001057300000000, 0.0003409300000000 ] - [ 0.0007633300000000, 0.0016901400000000, 0.0032900000000000 ] - [ 0.0002112200000000, 0.0004328900000000, -0.0002864100000000 ]- atom: 34 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ -0.0001905100000000, 0.0001023700000000, 0.0008932100000000 ] - [ 0.0002743000000000, 0.0000446000000000, -0.0000973300000000 ] - [ 0.0000909300000000, -0.0001435500000000, -0.0001418200000000 ] - [ -0.0021820500000000, -0.0002285600000000, 0.0033911500000000 ] - [ -0.0002354100000000, 0.0000954500000000, 0.0005241700000000 ] - [ 0.0001136300000000, -0.0000808900000000, -0.0013374100000000 ] - [ -0.0001481800000000, -0.0004026400000000, 0.0007159100000000 ] - [ 0.0001607100000000, -0.0000890100000000, 0.0000747200000000 ] - [ 0.0013127100000000, 0.0003142700000000, -0.0015745000000000 ] - [ 0.0001430000000000, -0.0007959700000000, 0.0001627200000000 ] - [ 0.0003488500000000, 0.0000190000000000, -0.0003353800000000 ] - [ 0.0000880300000000, 0.0000731200000000, 0.0001484000000000 ] - [ -0.0008051300000000, -0.0001102200000000, 0.0002947100000000 ] - [ -0.0002636200000000, 0.0004576200000000, -0.0000426400000000 ] - [ -0.0000305600000000, -0.0000168700000000, 0.0002191300000000 ] - [ -0.0000101200000000, -0.0002588100000000, 0.0000043300000000 ] - [ -0.0001492200000000, 0.0001987200000000, -0.0000210400000000 ] - [ 0.0000192000000000, -0.0000364600000000, 0.0003694000000000 ] - [ 0.0002055700000000, 0.0000173200000000, -0.0000057500000000 ] - [ 0.0001187700000000, 0.0000708100000000, 0.0003477800000000 ] - [ -0.0009921400000000, -0.0004349100000000, 0.0004376700000000 ] - [ -0.0001748200000000, 0.0000843800000000, -0.0003772200000000 ] - [ -0.0000491300000000, -0.0000435400000000, 0.0011360700000000 ] - [ -0.0002136000000000, 0.0001354200000000, 0.0000726600000000 ] - [ -0.0000106500000000, -0.0024844100000000, -0.0003686800000000 ] - [ -0.0000315300000000, 0.0024459100000000, -0.0005102800000000 ] - [ 0.0005155900000000, -0.0001640300000000, 0.0000188100000000 ] - [ -0.0002312600000000, -0.0002320500000000, 0.0003025400000000 ] - [ 0.0002330800000000, 0.0001276100000000, 0.0001708300000000 ] - [ 0.0006804200000000, 0.0010200500000000, -0.0008031300000000 ] - [ 0.0000749900000000, 0.0003382800000000, 0.0000036500000000 ] - [ 0.0004042100000000, -0.0011910400000000, -0.0003981700000000 ] - [ 0.0021232900000000, -0.0003084800000000, 0.0010428500000000 ] - [ 0.0055216800000000, 0.0055504100000000, -0.1074970500000000 ] - [ -0.0004939500000000, 0.0004403800000000, 0.0003344200000000 ] - [ -0.0005224000000000, -0.0001256300000000, 0.0002092300000000 ] - [ -0.0159672300000000, 0.0298479800000000, 0.0442097900000000 ] - [ 0.0002613700000000, -0.0001055800000000, -0.0000728200000000 ] - [ -0.0007506700000000, -0.0001896200000000, -0.0005227800000000 ] - [ 0.0006441100000000, 0.0005641100000000, 0.0008539700000000 ] - [ 0.0000167000000000, 0.0002477600000000, -0.0003820200000000 ] - [ 0.0005940300000000, -0.0000213500000000, 0.0003458100000000 ] - [ 0.0000069500000000, 0.0010296500000000, 0.0011898800000000 ] - [ 0.0000381800000000, -0.0002258800000000, -0.0002925100000000 ] - [ -0.0000008100000000, 0.0002529200000000, 0.0006002400000000 ] - [ 0.0006603700000000, 0.0004869800000000, -0.0012171200000000 ] - [ 0.0000317100000000, -0.0009835900000000, -0.0000240600000000 ] - [ 0.0004854400000000, 0.0000360400000000, 0.0003669500000000 ] - [ 0.0000133000000000, -0.0002401100000000, -0.0009352500000000 ] - [ -0.0001866000000000, 0.0001407900000000, -0.0005382400000000 ] - [ 0.0000764800000000, 0.0000754300000000, 0.0005638500000000 ] - [ 0.0001179800000000, -0.0003874300000000, -0.0004266400000000 ] - [ 0.0003331300000000, 0.0000401600000000, -0.0002989000000000 ] - [ -0.0184673700000000, -0.0043694100000000, 0.0104859700000000 ] - [ -0.0006274400000000, 0.0001543600000000, 0.0002263500000000 ] - [ -0.0008417300000000, -0.0048406800000000, -0.0013672000000000 ] - [ -0.0000813900000000, -0.0008426200000000, -0.0005946100000000 ] - [ -0.0001483400000000, -0.0007457400000000, -0.0002933200000000 ] - [ -0.0001916900000000, 0.0001502300000000, -0.0001517100000000 ] - [ 0.0024100800000000, -0.0002819200000000, -0.0014070400000000 ] - [ 0.0006063600000000, 0.0000786300000000, -0.0000985900000000 ] - [ -0.0006809900000000, 0.0002625300000000, 0.0002611600000000 ] - [ -0.0001029200000000, -0.0001972800000000, -0.0000970400000000 ] - [ 0.0001829000000000, -0.0000284800000000, 0.0002791900000000 ] - [ -0.0000351100000000, -0.0000785100000000, 0.0000526800000000 ] - [ 0.0000877300000000, -0.0006436200000000, -0.0004577000000000 ] - [ -0.0006007400000000, 0.0001672000000000, 0.0004316600000000 ] - [ -0.0003127800000000, 0.0000952600000000, -0.0009306400000000 ] - [ -0.0000081300000000, -0.0004782700000000, -0.0008271500000000 ] - [ -0.0000726600000000, -0.0004974700000000, 0.0007649200000000 ] - [ -0.0001375200000000, -0.0001839300000000, -0.0002417200000000 ] - [ -0.0004566200000000, 0.0000477600000000, -0.0002325700000000 ] - [ 0.0000938100000000, 0.0003236400000000, -0.0003336100000000 ] - [ -0.0012395300000000, -0.0178265500000000, 0.0122122000000000 ] - [ 0.0281861300000000, -0.0081923900000000, 0.0407844000000000 ] - [ 0.0003036100000000, 0.0007609000000000, 0.0000422900000000 ] - [ 0.0002141900000000, 0.0000544600000000, -0.0005754100000000 ] - [ -0.0001921400000000, 0.0004321600000000, -0.0001763500000000 ] - [ 0.0001067200000000, -0.0002798900000000, -0.0003644800000000 ] - [ 0.0000486400000000, 0.0000257500000000, 0.0010409600000000 ] - [ 0.0000980000000000, 0.0001228300000000, 0.0001270900000000 ] - [ 0.0002941600000000, 0.0000823300000000, 0.0005679200000000 ] - [ 0.0007127400000000, -0.0001392800000000, 0.0007119100000000 ] - [ 0.0001753500000000, -0.0001317300000000, -0.0000741600000000 ] - [ -0.0004734600000000, 0.0005326500000000, -0.0000520600000000 ] - [ 0.0000250800000000, -0.0000991800000000, 0.0000544800000000 ] - [ -0.0004986300000000, 0.0002710100000000, -0.0006842300000000 ] - [ -0.0004454200000000, 0.0013383500000000, 0.0001323000000000 ]- atom: 34 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ 0.0000208800000000, 0.0003889300000000, -0.0003236900000000 ] - [ -0.0001502700000000, 0.0000876700000000, 0.0001265900000000 ] - [ 0.0003625800000000, -0.0000192500000000, 0.0001258900000000 ] - [ 0.0017368000000000, 0.0002184600000000, -0.0031123100000000 ] - [ 0.0001807900000000, -0.0000476400000000, -0.0002770700000000 ] - [ -0.0005872200000000, -0.0002079600000000, 0.0013140700000000 ] - [ -0.0002732400000000, 0.0004112200000000, -0.0004929800000000 ] - [ -0.0000339000000000, -0.0000420100000000, -0.0000431500000000 ] - [ -0.0017176000000000, 0.0001216600000000, 0.0018402700000000 ] - [ 0.0002932000000000, 0.0005907300000000, -0.0001506700000000 ] - [ 0.0000705800000000, -0.0000116100000000, 0.0001089300000000 ] - [ -0.0000328800000000, -0.0000198800000000, -0.0003911800000000 ] - [ 0.0003613000000000, -0.0000999500000000, -0.0003089800000000 ] - [ 0.0007144700000000, -0.0002922900000000, 0.0000246400000000 ] - [ -0.0000258100000000, -0.0000351600000000, 0.0000276500000000 ] - [ 0.0001750400000000, -0.0002343300000000, -0.0005638400000000 ] - [ -0.0002876000000000, 0.0000103700000000, 0.0000046000000000 ] - [ -0.0001455200000000, 0.0001661700000000, -0.0003941300000000 ] - [ 0.0002127700000000, -0.0000224500000000, -0.0002190600000000 ] - [ 0.0003168400000000, 0.0001391900000000, -0.0003253900000000 ] - [ 0.0005405700000000, 0.0005989600000000, -0.0004205600000000 ] - [ 0.0003379700000000, 0.0004084200000000, -0.0001785400000000 ] - [ -0.0004001600000000, -0.0001234100000000, -0.0011157900000000 ] - [ -0.0002591500000000, 0.0001533700000000, -0.0000853100000000 ] - [ 0.0004285800000000, 0.0020337200000000, 0.0000966800000000 ] - [ -0.0001320700000000, -0.0029239200000000, 0.0010683800000000 ] - [ -0.0000432600000000, -0.0001237800000000, -0.0000041500000000 ] - [ -0.0001873300000000, -0.0002049900000000, -0.0000195200000000 ] - [ 0.0002377300000000, 0.0001599500000000, -0.0001544300000000 ] - [ -0.0008064700000000, -0.0011530400000000, 0.0007735700000000 ] - [ 0.0003422200000000, 0.0000992800000000, -0.0002813800000000 ] - [ -0.0003501300000000, 0.0011376900000000, 0.0001530700000000 ] - [ -0.0020919100000000, 0.0003170600000000, -0.0010836500000000 ] - [ -0.0078292400000000, -0.0044326000000000, 0.1075361000000000 ] - [ -0.0003265800000000, -0.0003845700000000, -0.0004677200000000 ] - [ 0.0000742000000000, 0.0000341900000000, -0.0006390400000000 ] - [ 0.0169685200000000, -0.0311573600000000, -0.0446637600000000 ] - [ -0.0007220100000000, 0.0004834300000000, -0.0004706900000000 ] - [ 0.0002888300000000, -0.0001930700000000, -0.0000160500000000 ] - [ -0.0006671400000000, -0.0005791600000000, -0.0007987600000000 ] - [ -0.0000440100000000, -0.0002267400000000, 0.0004434500000000 ] - [ 0.0002219600000000, -0.0000277300000000, -0.0002072300000000 ] - [ 0.0004387900000000, -0.0009050400000000, -0.0007818700000000 ] - [ -0.0004793500000000, 0.0003165100000000, -0.0001436300000000 ] - [ 0.0004576900000000, 0.0001297400000000, -0.0000518700000000 ] - [ -0.0002161300000000, -0.0005753700000000, 0.0016525600000000 ] - [ -0.0000089300000000, 0.0009396200000000, -0.0000477500000000 ] - [ 0.0003316700000000, 0.0000185100000000, -0.0002213000000000 ] - [ -0.0000603200000000, 0.0001769700000000, 0.0005605200000000 ] - [ 0.0002097500000000, -0.0004116100000000, 0.0003928600000000 ] - [ 0.0002664800000000, 0.0002638900000000, 0.0000613200000000 ] - [ 0.0001745700000000, -0.0004743100000000, 0.0000168600000000 ] - [ 0.0001502500000000, 0.0000862500000000, -0.0000922600000000 ] - [ 0.0179480800000000, 0.0044677600000000, -0.0101969400000000 ] - [ 0.0006847700000000, 0.0001057400000000, 0.0001233900000000 ] - [ 0.0011052300000000, 0.0049812900000000, 0.0016677700000000 ] - [ 0.0009414400000000, 0.0005359900000000, 0.0007659700000000 ] - [ -0.0001946300000000, 0.0004027000000000, -0.0003270400000000 ] - [ -0.0000885700000000, 0.0000132500000000, -0.0001476600000000 ] - [ -0.0023753600000000, 0.0005416000000000, 0.0015225500000000 ] - [ -0.0005863300000000, 0.0001862800000000, -0.0000458100000000 ] - [ 0.0006266500000000, -0.0005182600000000, -0.0006042100000000 ] - [ 0.0002510600000000, -0.0003350300000000, 0.0007851400000000 ] - [ 0.0000963300000000, -0.0001343900000000, 0.0000225200000000 ] - [ 0.0000813900000000, 0.0001364800000000, 0.0003161500000000 ] - [ -0.0001102400000000, 0.0003749300000000, 0.0006005600000000 ] - [ 0.0004520000000000, -0.0007014600000000, -0.0011179900000000 ] - [ 0.0001593300000000, 0.0004273800000000, 0.0002373200000000 ] - [ -0.0002769300000000, 0.0003155700000000, 0.0005218400000000 ] - [ 0.0001247600000000, 0.0002369100000000, -0.0004116800000000 ] - [ -0.0003458700000000, 0.0000583000000000, 0.0006341400000000 ] - [ -0.0004073400000000, 0.0002526200000000, 0.0000580200000000 ] - [ -0.0001431600000000, -0.0000654200000000, -0.0000178100000000 ] - [ 0.0012066900000000, 0.0180468900000000, -0.0125189700000000 ] - [ -0.0274550600000000, 0.0070302100000000, -0.0394854600000000 ] - [ 0.0005600800000000, -0.0004538400000000, 0.0001326500000000 ] - [ -0.0001082100000000, 0.0005280100000000, 0.0004402400000000 ] - [ -0.0001013200000000, 0.0004287900000000, 0.0005883100000000 ] - [ -0.0002151100000000, -0.0003029500000000, 0.0004980700000000 ] - [ 0.0000569000000000, -0.0006134100000000, -0.0011773700000000 ] - [ -0.0000538600000000, -0.0001846200000000, 0.0002430400000000 ] - [ -0.0001439900000000, 0.0004496300000000, 0.0001222800000000 ] - [ -0.0015662300000000, -0.0001597800000000, -0.0008816700000000 ] - [ 0.0003050100000000, 0.0000069500000000, -0.0003227700000000 ] - [ 0.0003548900000000, 0.0000476700000000, 0.0001927100000000 ] - [ 0.0003186700000000, -0.0002407700000000, 0.0005648400000000 ] - [ 0.0001336700000000, 0.0000415000000000, -0.0000188900000000 ] - [ 0.0007284800000000, -0.0004692500000000, -0.0005435700000000 ]- atom: 36 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ 0.0021797200000000, 0.0003656600000000, -0.0007354100000000 ] - [ 0.0001693500000000, 0.0000882400000000, 0.0000228600000000 ] - [ 0.0000577300000000, -0.0001034300000000, -0.0000664000000000 ] - [ -0.0004474000000000, 0.0001061500000000, 0.0003128100000000 ] - [ 0.0002625200000000, -0.0000212900000000, 0.0002115400000000 ] - [ 0.0006795700000000, -0.0003131300000000, 0.0012494200000000 ] - [ 0.0001549600000000, 0.0000767800000000, -0.0000191300000000 ] - [ 0.0002339900000000, -0.0019013900000000, 0.0003546300000000 ] - [ -0.0006064600000000, 0.0002312300000000, -0.0003627400000000 ] - [ 0.0002237500000000, -0.0001019100000000, 0.0000345100000000 ] - [ 0.0002659600000000, -0.0001353200000000, -0.0001875200000000 ] - [ 0.0000552400000000, -0.0000753800000000, -0.0001604100000000 ] - [ -0.0031437100000000, -0.0000279000000000, -0.0028935200000000 ] - [ 0.0001386100000000, 0.0002058400000000, -0.0002282300000000 ] - [ -0.0002287700000000, 0.0016460100000000, 0.0000782700000000 ] - [ 0.0003991000000000, 0.0031731500000000, -0.0000047600000000 ] - [ -0.0004246900000000, 0.0002648200000000, -0.0001074500000000 ] - [ 0.0020646200000000, 0.0003683100000000, -0.0005550500000000 ] - [ 0.0004954500000000, -0.0002653300000000, -0.0000023700000000 ] - [ 0.0005415900000000, 0.0003042500000000, 0.0000614000000000 ] - [ -0.0003096200000000, -0.0000219700000000, -0.0002081100000000 ] - [ -0.0000276500000000, 0.0001767900000000, -0.0003315700000000 ] - [ 0.0008661400000000, -0.0002061400000000, 0.0024140600000000 ] - [ -0.0000865400000000, 0.0001471000000000, -0.0000508500000000 ] - [ 0.0002221700000000, -0.0002878200000000, 0.0000053200000000 ] - [ -0.0001447300000000, -0.0001654000000000, 0.0004310400000000 ] - [ 0.0002893400000000, 0.0000190500000000, -0.0000190600000000 ] - [ -0.0004572600000000, -0.0031860800000000, 0.0001654900000000 ] - [ 0.0002043800000000, -0.0001976200000000, -0.0000906900000000 ] - [ 0.0001214100000000, -0.0000873300000000, 0.0002044200000000 ] - [ 0.0000948100000000, 0.0001103900000000, -0.0001519000000000 ] - [ 0.0001017500000000, -0.0000083300000000, -0.0000925500000000 ] - [ 0.0002307100000000, -0.0000046000000000, -0.0001737500000000 ] - [ -0.0004823500000000, -0.0000545800000000, -0.0003768600000000 ] - [ 0.0005859300000000, -0.0005338500000000, 0.0002403100000000 ] - [ -0.1119286500000000, -0.0012789300000000, -0.0048674700000000 ] - [ 0.0010775300000000, -0.0000165100000000, 0.0006369800000000 ] - [ -0.0028661100000000, 0.0018258600000000, 0.0004904400000000 ] - [ 0.0000442100000000, -0.0003778900000000, -0.0002563900000000 ] - [ 0.0073567400000000, 0.0116811600000000, -0.0156753400000000 ] - [ -0.0010248700000000, 0.0008226300000000, 0.0001766000000000 ] - [ 0.0003653500000000, 0.0001970100000000, 0.0005147900000000 ] - [ 0.0012212700000000, -0.0002277200000000, 0.0007063700000000 ] - [ -0.0002823900000000, 0.0002651100000000, -0.0001649500000000 ] - [ 0.0006206200000000, 0.0000608600000000, 0.0001469600000000 ] - [ 0.0003258600000000, -0.0002555700000000, 0.0004216900000000 ] - [ 0.0000391800000000, -0.0002384100000000, 0.0000133000000000 ] - [ 0.0012101700000000, -0.0002700800000000, -0.0001025800000000 ] - [ -0.0008644000000000, 0.0001911900000000, -0.0005084300000000 ] - [ 0.0004013700000000, -0.0008560000000000, -0.0011932300000000 ] - [ 0.0003185100000000, 0.0002228200000000, 0.0005117000000000 ] - [ 0.0005317600000000, -0.0002571300000000, -0.0003700900000000 ] - [ 0.0003837500000000, -0.0000787000000000, -0.0004038000000000 ] - [ -0.0002210500000000, 0.0000912100000000, 0.0001174000000000 ] - [ 0.0025405800000000, 0.0007451200000000, -0.0012237300000000 ] - [ -0.0000043500000000, 0.0000432000000000, 0.0001064600000000 ] - [ 0.0003497000000000, -0.0001097100000000, 0.0001613100000000 ] - [ -0.0002807200000000, -0.0000812700000000, -0.0004838400000000 ] - [ -0.0002842600000000, -0.0001755400000000, -0.0002365300000000 ] - [ -0.0009079100000000, -0.0001593900000000, 0.0005930900000000 ] - [ 0.0001781100000000, 0.0001222400000000, 0.0000026400000000 ] - [ -0.0005899900000000, 0.0002394100000000, -0.0003171000000000 ] - [ 0.0301258800000000, 0.0060175300000000, 0.0312810100000000 ] - [ 0.0000028600000000, 0.0001466300000000, 0.0001096200000000 ] - [ 0.0004803100000000, -0.0002791400000000, 0.0004338200000000 ] - [ -0.0004151600000000, 0.0005386300000000, -0.0003150600000000 ] - [ -0.0002270800000000, -0.0003096700000000, -0.0004443400000000 ] - [ -0.0011283000000000, 0.0007181300000000, -0.0005056800000000 ] - [ 0.0018352200000000, -0.0003303200000000, 0.0038058400000000 ] - [ -0.0000900000000000, -0.0008312900000000, -0.0005761100000000 ] - [ -0.0010958600000000, -0.0000689800000000, 0.0002796700000000 ] - [ 0.0001115100000000, -0.0014833200000000, 0.0003741700000000 ] - [ 0.0003238700000000, -0.0001140800000000, -0.0003155600000000 ] - [ -0.0000944800000000, 0.0000575800000000, -0.0001444700000000 ] - [ 0.0000107100000000, -0.0005870200000000, 0.0003130900000000 ] - [ 0.0004426100000000, 0.0002095700000000, 0.0001410600000000 ] - [ -0.0010388300000000, 0.0002129800000000, 0.0000711200000000 ] - [ -0.0013578000000000, 0.0014241300000000, 0.0004069100000000 ] - [ 0.0628852600000000, -0.0112964500000000, -0.0108732700000000 ] - [ 0.0000309500000000, -0.0002000600000000, -0.0002609400000000 ] - [ 0.0000255700000000, 0.0001143700000000, 0.0004992900000000 ] - [ 0.0001695500000000, 0.0000882400000000, 0.0004226100000000 ] - [ 0.0001319900000000, -0.0004730600000000, -0.0009185300000000 ] - [ 0.0001475100000000, -0.0000158500000000, -0.0002589400000000 ] - [ 0.0001053500000000, 0.0001113200000000, 0.0000661300000000 ] - [ 0.0065690900000000, -0.0063611600000000, -0.0013204300000000 ] - [ -0.0003410900000000, 0.0002132800000000, -0.0003043100000000 ] - [ 0.0004007100000000, 0.0007880800000000, 0.0002692900000000 ]- atom: 36 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0023397300000000, 0.0001336300000000, 0.0012833100000000 ] - [ -0.0000463100000000, 0.0000462700000000, 0.0000031600000000 ] - [ 0.0003967900000000, -0.0000602900000000, 0.0000464300000000 ] - [ 0.0000269000000000, -0.0001114700000000, -0.0000850100000000 ] - [ -0.0003179000000000, 0.0000706200000000, 0.0000325600000000 ] - [ -0.0011529100000000, 0.0000293300000000, -0.0012708500000000 ] - [ -0.0005741100000000, -0.0000710100000000, 0.0002440800000000 ] - [ -0.0001119000000000, 0.0017690700000000, -0.0003318400000000 ] - [ 0.0001839800000000, 0.0002055600000000, 0.0006340400000000 ] - [ 0.0002079400000000, -0.0001091000000000, -0.0000147800000000 ] - [ 0.0001501100000000, 0.0001424100000000, -0.0000384000000000 ] - [ -0.0000030200000000, 0.0001278400000000, -0.0000863500000000 ] - [ 0.0027152100000000, -0.0001893900000000, 0.0028831600000000 ] - [ 0.0003149900000000, -0.0000419500000000, 0.0002096500000000 ] - [ 0.0001754500000000, -0.0016918100000000, 0.0001661400000000 ] - [ -0.0002359300000000, -0.0036896100000000, -0.0005582500000000 ] - [ -0.0000112300000000, -0.0000521300000000, 0.0000879000000000 ] - [ -0.0021707200000000, -0.0002330300000000, 0.0005290100000000 ] - [ -0.0000781100000000, 0.0002690900000000, -0.0002267100000000 ] - [ -0.0001082800000000, -0.0000911500000000, -0.0000429200000000 ] - [ -0.0001471500000000, 0.0001876000000000, 0.0002255200000000 ] - [ 0.0001904600000000, 0.0003179400000000, -0.0002253100000000 ] - [ -0.0013391500000000, 0.0000474800000000, -0.0024061800000000 ] - [ -0.0003862200000000, 0.0001428300000000, 0.0000374600000000 ] - [ 0.0001975100000000, -0.0001480500000000, -0.0002781000000000 ] - [ -0.0000192300000000, -0.0003264600000000, 0.0001241700000000 ] - [ 0.0001828000000000, -0.0003054000000000, 0.0000288400000000 ] - [ 0.0000295600000000, 0.0027701200000000, 0.0001101300000000 ] - [ 0.0002664300000000, 0.0004828400000000, 0.0000984200000000 ] - [ -0.0002475800000000, -0.0000434700000000, -0.0002312400000000 ] - [ 0.0003252600000000, 0.0003265000000000, -0.0001252700000000 ] - [ -0.0000505900000000, -0.0000403500000000, -0.0001547500000000 ] - [ -0.0002115700000000, 0.0000307300000000, 0.0001064800000000 ] - [ -0.0003307200000000, -0.0000044500000000, 0.0002323600000000 ] - [ -0.0013952400000000, 0.0005865500000000, -0.0003866700000000 ] - [ 0.1140802000000000, 0.0002268800000000, 0.0029566400000000 ] - [ -0.0006248300000000, -0.0003439700000000, -0.0000789600000000 ] - [ 0.0024436500000000, -0.0014636800000000, -0.0010397300000000 ] - [ -0.0005037200000000, 0.0000187100000000, -0.0002969300000000 ] - [ -0.0075474700000000, -0.0117046200000000, 0.0157903600000000 ] - [ 0.0010121300000000, -0.0007929800000000, -0.0001081100000000 ] - [ 0.0004455500000000, -0.0002609400000000, -0.0003742400000000 ] - [ -0.0007779000000000, 0.0003177200000000, -0.0002619900000000 ] - [ -0.0001680600000000, -0.0001781700000000, -0.0002747700000000 ] - [ -0.0001718800000000, 0.0003118000000000, 0.0004082100000000 ] - [ 0.0001229200000000, 0.0001711900000000, 0.0000145300000000 ] - [ -0.0000224900000000, 0.0002137200000000, -0.0000811800000000 ] - [ -0.0004044300000000, 0.0003354200000000, 0.0002504100000000 ] - [ 0.0008068500000000, -0.0002555600000000, 0.0001302500000000 ] - [ -0.0003849400000000, 0.0006039600000000, 0.0010599600000000 ] - [ 0.0000214500000000, 0.0001139500000000, 0.0001122600000000 ] - [ -0.0002457800000000, -0.0006016900000000, -0.0000466300000000 ] - [ 0.0001069600000000, 0.0002046300000000, 0.0000079100000000 ] - [ -0.0002722500000000, 0.0000347800000000, 0.0002821400000000 ] - [ -0.0024377500000000, -0.0004823700000000, 0.0015458800000000 ] - [ 0.0002832900000000, 0.0001183100000000, 0.0001925100000000 ] - [ 0.0005153400000000, -0.0001951000000000, 0.0000158500000000 ] - [ -0.0000593900000000, -0.0002542600000000, -0.0001395700000000 ] - [ -0.0000029200000000, 0.0003227300000000, -0.0000751800000000 ] - [ 0.0008965200000000, 0.0004246000000000, -0.0004506300000000 ] - [ -0.0001667600000000, 0.0001414100000000, -0.0001485400000000 ] - [ 0.0005348700000000, -0.0005014000000000, -0.0000292200000000 ] - [ -0.0295956300000000, -0.0063945400000000, -0.0297305100000000 ] - [ 0.0002791100000000, -0.0003062200000000, 0.0001893900000000 ] - [ -0.0004395700000000, 0.0003580100000000, -0.0000641300000000 ] - [ 0.0004050600000000, -0.0008062200000000, 0.0004620400000000 ] - [ 0.0000771600000000, -0.0002208900000000, -0.0002477400000000 ] - [ 0.0009737400000000, -0.0001827600000000, -0.0001881500000000 ] - [ -0.0021315200000000, 0.0001655100000000, -0.0041237300000000 ] - [ 0.0001445200000000, 0.0005775800000000, 0.0009231000000000 ] - [ 0.0005978400000000, -0.0000575600000000, 0.0001176800000000 ] - [ -0.0009811000000000, 0.0018002600000000, -0.0005449000000000 ] - [ -0.0003786500000000, 0.0003801500000000, -0.0000297900000000 ] - [ 0.0000493600000000, 0.0000126100000000, -0.0002277300000000 ] - [ -0.0002975300000000, -0.0002722400000000, 0.0001071100000000 ] - [ 0.0004207300000000, 0.0000983100000000, 0.0000381800000000 ] - [ 0.0011595100000000, 0.0003705300000000, -0.0002096900000000 ] - [ 0.0010688000000000, -0.0005550700000000, 0.0000125000000000 ] - [ -0.0656957200000000, 0.0113176900000000, 0.0116284900000000 ] - [ 0.0000839400000000, -0.0003830400000000, 0.0001220000000000 ] - [ 0.0000153900000000, -0.0001849100000000, -0.0001345800000000 ] - [ -0.0000209500000000, 0.0004435200000000, 0.0002672800000000 ] - [ -0.0009980300000000, 0.0001630900000000, 0.0007327000000000 ] - [ 0.0003428600000000, -0.0001069600000000, -0.0001416900000000 ] - [ -0.0002209700000000, 0.0004725800000000, 0.0000720000000000 ] - [ -0.0063068000000000, 0.0061130600000000, 0.0019982700000000 ] - [ -0.0000014300000000, 0.0001231100000000, -0.0003160200000000 ] - [ -0.0001150800000000, 0.0000720300000000, -0.0006935000000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008997000000000, 0.0007802200000000, 0.0008749200000000 ] - [ -0.0000580200000000, 0.0002868500000000, 0.0001676500000000 ] - [ 0.0004500300000000, 0.0001460800000000, -0.0000091800000000 ] - [ 0.0003864600000000, -0.0001570500000000, -0.0001041200000000 ] - [ -0.0000092000000000, -0.0002022000000000, -0.0001988800000000 ] - [ 0.0000254200000000, 0.0001321700000000, 0.0009672300000000 ] - [ -0.0002270000000000, 0.0000442100000000, 0.0001405800000000 ] - [ -0.0008985800000000, -0.0004615900000000, -0.0014444400000000 ] - [ -0.0003016600000000, 0.0001234900000000, -0.0002168300000000 ] - [ 0.0002395700000000, -0.0001115900000000, 0.0000644200000000 ] - [ -0.0000138900000000, -0.0000578000000000, 0.0000849000000000 ] - [ -0.0000838700000000, 0.0000541300000000, -0.0002540200000000 ] - [ -0.0003100900000000, -0.0006089500000000, 0.0006950600000000 ] - [ 0.0004859900000000, 0.0000180700000000, 0.0002791700000000 ] - [ 0.0005797500000000, 0.0007708000000000, 0.0009750300000000 ] - [ 0.0027029200000000, -0.0003087000000000, -0.0014337500000000 ] - [ -0.0004030500000000, 0.0004061400000000, -0.0003022100000000 ] - [ 0.0003992800000000, -0.0000757500000000, 0.0000054500000000 ] - [ 0.0002528500000000, 0.0019483600000000, -0.0004747600000000 ] - [ 0.0002899000000000, -0.0000266700000000, -0.0002571100000000 ] - [ -0.0002415900000000, 0.0001505800000000, 0.0000335400000000 ] - [ 0.0001850800000000, 0.0004307500000000, -0.0000851300000000 ] - [ -0.0005441600000000, -0.0000263500000000, -0.0004743100000000 ] - [ 0.0000217700000000, 0.0006408800000000, -0.0000683900000000 ] - [ 0.0003700000000000, -0.0002171200000000, 0.0001226500000000 ] - [ -0.0000694500000000, -0.0001668100000000, 0.0002618200000000 ] - [ 0.0001651900000000, -0.0002983400000000, -0.0000060300000000 ] - [ -0.0010136700000000, 0.0003198900000000, 0.0003401900000000 ] - [ -0.0016258200000000, -0.0005330600000000, 0.0007315700000000 ] - [ -0.0000965600000000, 0.0000411500000000, -0.0001819200000000 ] - [ 0.0003369200000000, 0.0001188800000000, -0.0001904800000000 ] - [ -0.0001226700000000, -0.0000701500000000, 0.0000707500000000 ] - [ 0.0002853700000000, -0.0000011900000000, -0.0000503800000000 ] - [ -0.0002537500000000, 0.0003675200000000, -0.0001513900000000 ] - [ -0.0002376700000000, 0.0004449000000000, 0.0002022200000000 ] - [ -0.0011943900000000, -0.0816463800000000, 0.0043273700000000 ] - [ 0.0001459400000000, -0.0004024400000000, 0.0006055700000000 ] - [ 0.0067984200000000, -0.0051703100000000, 0.0070329000000000 ] - [ -0.0002370100000000, 0.0003153100000000, -0.0002946800000000 ] - [ 0.0103545900000000, 0.0236749700000000, -0.0333193400000000 ] - [ 0.0005960900000000, 0.0002569600000000, -0.0000208900000000 ] - [ 0.0004413400000000, 0.0001869300000000, -0.0004572500000000 ] - [ -0.0000536700000000, -0.0000316000000000, -0.0000883600000000 ] - [ -0.0004377100000000, 0.0001847800000000, -0.0004284500000000 ] - [ 0.0001530800000000, 0.0004052900000000, 0.0003138400000000 ] - [ 0.0004341600000000, 0.0004667800000000, 0.0002067000000000 ] - [ -0.0008343200000000, -0.0003419600000000, 0.0000372400000000 ] - [ -0.0007688900000000, 0.0013436900000000, 0.0009864600000000 ] - [ 0.0001332200000000, -0.0003142200000000, -0.0002112100000000 ] - [ -0.0012838200000000, 0.0006354800000000, -0.0004768000000000 ] - [ 0.0001314600000000, -0.0000216400000000, 0.0003826200000000 ] - [ -0.0000380300000000, -0.0009579400000000, 0.0002078000000000 ] - [ 0.0002955300000000, -0.0003631900000000, 0.0001033800000000 ] - [ -0.0002465900000000, 0.0000571100000000, 0.0003610500000000 ] - [ -0.0025709200000000, 0.0000119100000000, 0.0025637100000000 ] - [ 0.0000880100000000, 0.0000939700000000, 0.0000485600000000 ] - [ 0.0004612200000000, 0.0000057900000000, 0.0000695100000000 ] - [ -0.0000454300000000, -0.0004076100000000, -0.0002397500000000 ] - [ -0.0002114400000000, -0.0002749400000000, -0.0002787600000000 ] - [ -0.0000258600000000, 0.0003541800000000, -0.0002734600000000 ] - [ -0.0000487900000000, -0.0001033700000000, -0.0001446100000000 ] - [ -0.0001818600000000, 0.0003557700000000, -0.0005024200000000 ] - [ 0.0045506000000000, 0.0062873400000000, 0.0059794500000000 ] - [ 0.0003868600000000, -0.0002916300000000, 0.0001759200000000 ] - [ -0.0000898400000000, 0.0000296500000000, 0.0008280100000000 ] - [ -0.0000920100000000, -0.0003102600000000, 0.0000023800000000 ] - [ -0.0000948400000000, -0.0004485400000000, -0.0004186800000000 ] - [ -0.0001952800000000, 0.0007042200000000, 0.0000925900000000 ] - [ 0.0011758400000000, 0.0017362200000000, 0.0025462700000000 ] - [ 0.0002085600000000, 0.0005156400000000, 0.0013034000000000 ] - [ -0.0002935900000000, -0.0002277700000000, 0.0001462900000000 ] - [ -0.0002531000000000, 0.0021011900000000, -0.0002076700000000 ] - [ 0.0009005700000000, -0.0000891600000000, -0.0003776200000000 ] - [ -0.0000484300000000, -0.0000177700000000, -0.0002193100000000 ] - [ -0.0001014500000000, -0.0005843000000000, 0.0004129700000000 ] - [ 0.0001800800000000, 0.0000994500000000, -0.0000066700000000 ] - [ 0.0007330400000000, 0.0005818300000000, -0.0001252200000000 ] - [ -0.0006603100000000, 0.0005487200000000, 0.0002599500000000 ] - [ -0.0095155600000000, 0.0063813600000000, 0.0013393300000000 ] - [ 0.0000320300000000, -0.0004574700000000, -0.0001654200000000 ] - [ -0.0001740800000000, -0.0004661400000000, -0.0004929200000000 ] - [ 0.0000428100000000, 0.0001184400000000, 0.0006030300000000 ] - [ -0.0003344700000000, -0.0003135900000000, -0.0003341800000000 ] - [ 0.0005916100000000, 0.0000239800000000, -0.0008684700000000 ] - [ -0.0000299900000000, 0.0002036400000000, -0.0000737300000000 ] - [ -0.0082701100000000, 0.0410304100000000, 0.0109643600000000 ] - [ -0.0002596800000000, 0.0003072700000000, -0.0005894800000000 ] - [ -0.0000097200000000, 0.0003222000000000, -0.0013991100000000 ]- atom: 36 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007347800000000, -0.0002813400000000, -0.0003147300000000 ] - [ 0.0001822300000000, -0.0001504500000000, -0.0001386000000000 ] - [ 0.0000055900000000, -0.0003070100000000, -0.0000097700000000 ] - [ -0.0008088800000000, 0.0001572200000000, 0.0003327900000000 ] - [ -0.0000466500000000, 0.0002553000000000, 0.0004459600000000 ] - [ -0.0004958000000000, -0.0004148200000000, -0.0009809800000000 ] - [ -0.0001918500000000, -0.0000372700000000, 0.0000860700000000 ] - [ 0.0010267900000000, 0.0003255100000000, 0.0014717700000000 ] - [ -0.0001167000000000, 0.0003150300000000, 0.0004932100000000 ] - [ 0.0001953900000000, -0.0000954100000000, -0.0000443400000000 ] - [ 0.0004329000000000, 0.0000653800000000, -0.0003110400000000 ] - [ 0.0001378700000000, 0.0000010300000000, 0.0000078300000000 ] - [ -0.0001246000000000, 0.0003995200000000, -0.0007208200000000 ] - [ -0.0000324400000000, 0.0001484200000000, -0.0002958300000000 ] - [ -0.0006310100000000, -0.0008058000000000, -0.0007236300000000 ] - [ -0.0025482800000000, -0.0001906700000000, 0.0008744800000000 ] - [ -0.0000358700000000, -0.0001944200000000, 0.0002786600000000 ] - [ -0.0005261800000000, 0.0002091700000000, -0.0000336400000000 ] - [ 0.0001681900000000, -0.0019285100000000, 0.0002413300000000 ] - [ 0.0001455800000000, 0.0002410300000000, 0.0002751900000000 ] - [ -0.0002130700000000, 0.0000167200000000, -0.0000149000000000 ] - [ -0.0000195200000000, 0.0000664800000000, -0.0004688400000000 ] - [ 0.0000904600000000, -0.0001332600000000, 0.0004924900000000 ] - [ -0.0004887900000000, -0.0003511500000000, 0.0000525000000000 ] - [ 0.0000478700000000, -0.0002158800000000, -0.0003987900000000 ] - [ -0.0000953100000000, -0.0003228300000000, 0.0002950200000000 ] - [ 0.0003051200000000, 0.0000151800000000, 0.0000214700000000 ] - [ 0.0005878000000000, -0.0007456800000000, -0.0000592900000000 ] - [ 0.0021022000000000, 0.0008206200000000, -0.0007198600000000 ] - [ -0.0000274100000000, -0.0001704100000000, 0.0001573400000000 ] - [ 0.0000820700000000, 0.0003203300000000, -0.0000897300000000 ] - [ 0.0001768800000000, 0.0000232400000000, -0.0003151300000000 ] - [ -0.0002632800000000, 0.0000329400000000, -0.0000190300000000 ] - [ -0.0005582700000000, -0.0004241300000000, 0.0000043700000000 ] - [ -0.0005745700000000, -0.0003880500000000, -0.0003462500000000 ] - [ 0.0002862700000000, 0.0829712000000000, -0.0030815800000000 ] - [ 0.0003087800000000, 0.0000418600000000, -0.0000468800000000 ] - [ -0.0072729200000000, 0.0055661700000000, -0.0076075500000000 ] - [ -0.0002230300000000, -0.0006875900000000, -0.0002458100000000 ] - [ -0.0101628100000000, -0.0236555000000000, 0.0327896300000000 ] - [ -0.0006259700000000, -0.0002264400000000, 0.0000935900000000 ] - [ 0.0003741500000000, -0.0002426000000000, 0.0005934600000000 ] - [ 0.0004977500000000, 0.0001199000000000, 0.0005356100000000 ] - [ -0.0000062700000000, -0.0000944700000000, -0.0000123100000000 ] - [ 0.0002977100000000, -0.0000298900000000, 0.0002357500000000 ] - [ 0.0000121400000000, -0.0005353400000000, 0.0002422900000000 ] - [ 0.0008461700000000, 0.0003049100000000, -0.0001152900000000 ] - [ 0.0015832100000000, -0.0012932400000000, -0.0008457400000000 ] - [ -0.0001824800000000, 0.0002562000000000, -0.0001573400000000 ] - [ 0.0013089800000000, -0.0008958100000000, 0.0003371000000000 ] - [ 0.0002110900000000, 0.0003650000000000, 0.0002367100000000 ] - [ 0.0003297000000000, 0.0001019000000000, -0.0006178800000000 ] - [ 0.0001900400000000, 0.0004914700000000, -0.0004941200000000 ] - [ -0.0002388100000000, 0.0000720700000000, 0.0000370300000000 ] - [ 0.0026486500000000, 0.0002630500000000, -0.0022262000000000 ] - [ 0.0001909300000000, 0.0000697600000000, 0.0002538400000000 ] - [ 0.0004024800000000, -0.0003032100000000, 0.0001058500000000 ] - [ -0.0002970300000000, 0.0000724700000000, -0.0003815400000000 ] - [ -0.0000693100000000, 0.0004378800000000, -0.0000250000000000 ] - [ 0.0000017800000000, -0.0000877700000000, 0.0004208900000000 ] - [ 0.0000696700000000, 0.0003698400000000, -0.0000023100000000 ] - [ 0.0001295500000000, -0.0006104100000000, 0.0001515600000000 ] - [ -0.0045147500000000, -0.0069200200000000, -0.0054745600000000 ] - [ -0.0001042300000000, 0.0001329700000000, 0.0001269900000000 ] - [ 0.0001380300000000, 0.0000365000000000, -0.0004634500000000 ] - [ 0.0000719000000000, 0.0000486000000000, 0.0001450600000000 ] - [ -0.0000547700000000, -0.0000804900000000, -0.0002692400000000 ] - [ 0.0000416800000000, -0.0001674800000000, -0.0007799000000000 ] - [ -0.0014734000000000, -0.0018925700000000, -0.0028653300000000 ] - [ -0.0001612800000000, -0.0007770200000000, -0.0009639800000000 ] - [ -0.0001928600000000, 0.0001060300000000, 0.0002495700000000 ] - [ -0.0006167200000000, -0.0017301400000000, 0.0000462100000000 ] - [ -0.0009445300000000, 0.0003554600000000, 0.0000274600000000 ] - [ 0.0000015900000000, 0.0000841200000000, -0.0001510000000000 ] - [ -0.0001892700000000, -0.0002727100000000, 0.0000021000000000 ] - [ 0.0006834000000000, 0.0002062300000000, 0.0001843500000000 ] - [ -0.0006243000000000, 0.0000053500000000, -0.0000094800000000 ] - [ 0.0003679500000000, 0.0003177000000000, 0.0001529100000000 ] - [ 0.0095582200000000, -0.0070818300000000, -0.0012520000000000 ] - [ 0.0000734100000000, -0.0001240200000000, 0.0000282300000000 ] - [ 0.0002157200000000, 0.0003964300000000, 0.0008493700000000 ] - [ 0.0001077300000000, 0.0004159400000000, 0.0000862000000000 ] - [ -0.0005271500000000, 0.0000179000000000, 0.0001558500000000 ] - [ -0.0001053500000000, -0.0001446700000000, 0.0004709700000000 ] - [ -0.0000758100000000, 0.0003822800000000, 0.0002088600000000 ] - [ 0.0088828100000000, -0.0429880000000000, -0.0111490400000000 ] - [ -0.0000887400000000, 0.0000350900000000, -0.0000316100000000 ] - [ 0.0002970800000000, 0.0005409100000000, 0.0009763800000000 ]- atom: 36 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ 0.0001839000000000, 0.0003339800000000, 0.0005411900000000 ] - [ -0.0001140700000000, 0.0001140000000000, 0.0001437700000000 ] - [ 0.0004742400000000, 0.0001175300000000, 0.0000179800000000 ] - [ -0.0007462800000000, 0.0000092300000000, 0.0002147900000000 ] - [ -0.0001100900000000, 0.0000169200000000, 0.0007312500000000 ] - [ -0.0000659000000000, -0.0001634500000000, 0.0010438500000000 ] - [ -0.0000478600000000, 0.0000937300000000, 0.0001772200000000 ] - [ 0.0001464000000000, -0.0023855800000000, -0.0003461000000000 ] - [ -0.0002326600000000, 0.0001648500000000, 0.0005665500000000 ] - [ 0.0002126300000000, -0.0001319300000000, 0.0001132900000000 ] - [ 0.0001609600000000, -0.0000428100000000, 0.0001489300000000 ] - [ -0.0001103700000000, 0.0000178800000000, -0.0002215400000000 ] - [ -0.0027372000000000, -0.0002166000000000, 0.0032728800000000 ] - [ 0.0002126500000000, 0.0001223900000000, 0.0001355300000000 ] - [ -0.0002360300000000, 0.0024858200000000, -0.0003004400000000 ] - [ 0.0006476000000000, -0.0012657600000000, -0.0011624800000000 ] - [ 0.0000333400000000, -0.0000489600000000, 0.0003637000000000 ] - [ 0.0012732300000000, -0.0000226500000000, -0.0019938600000000 ] - [ 0.0001433200000000, 0.0009128000000000, -0.0003630700000000 ] - [ 0.0003922700000000, 0.0000576500000000, -0.0002449800000000 ] - [ -0.0002940600000000, 0.0000754200000000, 0.0000931200000000 ] - [ 0.0001888600000000, 0.0003062800000000, 0.0000109200000000 ] - [ 0.0000109900000000, -0.0002394300000000, -0.0013917200000000 ] - [ -0.0007274500000000, -0.0001378700000000, -0.0000594700000000 ] - [ 0.0002761200000000, -0.0001961300000000, 0.0000991100000000 ] - [ -0.0000953400000000, -0.0002514600000000, 0.0002905000000000 ] - [ 0.0001392200000000, -0.0000531900000000, -0.0001066200000000 ] - [ 0.0000978200000000, 0.0008224400000000, -0.0000427300000000 ] - [ -0.0004968400000000, 0.0005303200000000, 0.0003185500000000 ] - [ -0.0000313500000000, -0.0000637300000000, 0.0002322100000000 ] - [ 0.0003681500000000, 0.0001851300000000, -0.0002552900000000 ] - [ -0.0000559100000000, 0.0000046900000000, 0.0000614700000000 ] - [ 0.0002283500000000, 0.0000105400000000, -0.0000321900000000 ] - [ -0.0006300400000000, 0.0000174000000000, 0.0003618400000000 ] - [ 0.0000615500000000, -0.0000267000000000, -0.0001322600000000 ] - [ 0.0003263600000000, 0.0030924400000000, -0.1155587900000000 ] - [ 0.0006324100000000, -0.0001967600000000, 0.0011478700000000 ] - [ 0.0032547600000000, 0.0025257100000000, 0.0049699000000000 ] - [ -0.0001155200000000, 0.0007331800000000, -0.0001425200000000 ] - [ -0.0150096700000000, -0.0317272200000000, 0.0444584100000000 ] - [ -0.0004879800000000, 0.0001575600000000, 0.0006501100000000 ] - [ 0.0006925500000000, -0.0008162400000000, -0.0013748100000000 ] - [ 0.0006536600000000, -0.0002582300000000, 0.0002640400000000 ] - [ -0.0001630400000000, 0.0002348300000000, 0.0004588800000000 ] - [ 0.0000137100000000, 0.0002745000000000, 0.0001171300000000 ] - [ 0.0004226200000000, -0.0000044400000000, 0.0004452200000000 ] - [ -0.0004859300000000, -0.0000010800000000, -0.0001797600000000 ] - [ 0.0004064100000000, -0.0004102700000000, 0.0010544200000000 ] - [ 0.0009480200000000, -0.0002272200000000, 0.0003009900000000 ] - [ -0.0008977200000000, -0.0000338400000000, -0.0000317700000000 ] - [ 0.0000770800000000, -0.0000917700000000, 0.0000729800000000 ] - [ -0.0003327500000000, -0.0005269800000000, 0.0006090100000000 ] - [ 0.0003068900000000, 0.0000082800000000, 0.0006928500000000 ] - [ -0.0001189500000000, 0.0000399400000000, -0.0001997900000000 ] - [ 0.0022839600000000, 0.0006232200000000, -0.0009023000000000 ] - [ 0.0000379500000000, 0.0000092600000000, -0.0000266800000000 ] - [ 0.0004170500000000, -0.0000264700000000, 0.0000505300000000 ] - [ -0.0002612700000000, -0.0001432500000000, -0.0002640900000000 ] - [ -0.0002723000000000, -0.0003229100000000, -0.0003728200000000 ] - [ -0.0003340400000000, 0.0001199800000000, -0.0000802400000000 ] - [ 0.0001426300000000, -0.0000658100000000, -0.0001281200000000 ] - [ -0.0002213400000000, 0.0002780000000000, -0.0004917000000000 ] - [ 0.0302672300000000, 0.0068775800000000, 0.0481070200000000 ] - [ 0.0002291700000000, -0.0002333300000000, 0.0002227300000000 ] - [ 0.0001451400000000, 0.0011737600000000, 0.0005966700000000 ] - [ 0.0000685600000000, -0.0004535800000000, 0.0005286100000000 ] - [ -0.0000994300000000, -0.0003520100000000, -0.0005033100000000 ] - [ -0.0007659200000000, 0.0011064700000000, 0.0001455000000000 ] - [ -0.0003404800000000, 0.0001029300000000, 0.0009377300000000 ] - [ 0.0003738500000000, -0.0002473700000000, -0.0006443100000000 ] - [ -0.0009349200000000, -0.0004863700000000, 0.0006268300000000 ] - [ -0.0006063500000000, 0.0047121000000000, -0.0006016200000000 ] - [ 0.0005653800000000, 0.0002134200000000, -0.0001678500000000 ] - [ -0.0000819900000000, 0.0000568500000000, -0.0003740200000000 ] - [ -0.0002672400000000, -0.0003672800000000, -0.0001549100000000 ] - [ 0.0003815000000000, -0.0000104600000000, 0.0000934200000000 ] - [ -0.0000645000000000, 0.0002054000000000, -0.0000198600000000 ] - [ -0.0002352500000000, 0.0005538700000000, 0.0002853100000000 ] - [ -0.0164380600000000, 0.0021022100000000, 0.0092074200000000 ] - [ 0.0001360000000000, -0.0003776300000000, -0.0001650000000000 ] - [ -0.0001091400000000, -0.0004503300000000, -0.0007851300000000 ] - [ 0.0001481500000000, 0.0001711600000000, -0.0002337100000000 ] - [ -0.0004439100000000, -0.0003741600000000, -0.0008597900000000 ] - [ 0.0003498900000000, -0.0000779200000000, -0.0006702400000000 ] - [ 0.0001262600000000, 0.0002141800000000, -0.0004416100000000 ] - [ -0.0028307700000000, 0.0106704000000000, 0.0085244100000000 ] - [ -0.0000724300000000, 0.0003483100000000, -0.0009732100000000 ] - [ 0.0000635900000000, 0.0005246100000000, -0.0005059400000000 ]- atom: 36 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0003500900000000, 0.0001624400000000, 0.0000196200000000 ] - [ 0.0002368800000000, 0.0000203500000000, -0.0001205800000000 ] - [ -0.0000193900000000, -0.0002792600000000, -0.0000348600000000 ] - [ 0.0003192300000000, -0.0000096400000000, 0.0000148000000000 ] - [ 0.0000538700000000, 0.0000352400000000, -0.0004823100000000 ] - [ -0.0004014200000000, -0.0001210700000000, -0.0010634100000000 ] - [ -0.0003728400000000, -0.0000901800000000, 0.0000525800000000 ] - [ -0.0000225700000000, 0.0022413700000000, 0.0003665300000000 ] - [ -0.0001859900000000, 0.0002715300000000, -0.0002857700000000 ] - [ 0.0002255900000000, -0.0000739600000000, -0.0000940600000000 ] - [ 0.0002607100000000, 0.0000469300000000, -0.0003745800000000 ] - [ 0.0001677400000000, 0.0000361100000000, -0.0000220100000000 ] - [ 0.0022641100000000, 0.0000090500000000, -0.0032379300000000 ] - [ 0.0002414500000000, 0.0000420700000000, -0.0001491500000000 ] - [ 0.0001780800000000, -0.0025184800000000, 0.0005430900000000 ] - [ -0.0004773600000000, 0.0007769000000000, 0.0005990900000000 ] - [ -0.0004698400000000, 0.0002553500000000, -0.0003784600000000 ] - [ -0.0013875200000000, 0.0001542100000000, 0.0019583600000000 ] - [ 0.0002790800000000, -0.0009148800000000, 0.0001300400000000 ] - [ 0.0000482700000000, 0.0001528200000000, 0.0002622500000000 ] - [ -0.0001604900000000, 0.0000898600000000, -0.0000749300000000 ] - [ -0.0000222700000000, 0.0001902700000000, -0.0005646500000000 ] - [ -0.0004670700000000, 0.0000784100000000, 0.0014008800000000 ] - [ 0.0002569500000000, 0.0004268900000000, 0.0000407900000000 ] - [ 0.0001423300000000, -0.0002379200000000, -0.0003727600000000 ] - [ -0.0000707600000000, -0.0002410100000000, 0.0002659200000000 ] - [ 0.0003311200000000, -0.0002341100000000, 0.0001267900000000 ] - [ -0.0005149900000000, -0.0012556100000000, 0.0003255100000000 ] - [ 0.0009653300000000, -0.0002412600000000, -0.0003015500000000 ] - [ -0.0000911900000000, -0.0000672100000000, -0.0002515200000000 ] - [ 0.0000491700000000, 0.0002521600000000, -0.0000261800000000 ] - [ 0.0001128300000000, -0.0000529000000000, -0.0003033400000000 ] - [ -0.0002059400000000, 0.0000176400000000, -0.0000382600000000 ] - [ -0.0001836300000000, -0.0000750000000000, -0.0004978200000000 ] - [ -0.0008679300000000, 0.0000864000000000, -0.0000102500000000 ] - [ -0.0025265200000000, -0.0044513800000000, 0.1151526700000000 ] - [ -0.0001663100000000, -0.0001717500000000, -0.0005988500000000 ] - [ -0.0037221400000000, -0.0021800600000000, -0.0055318500000000 ] - [ -0.0003459000000000, -0.0010945100000000, -0.0004084600000000 ] - [ 0.0154924800000000, 0.0327045700000000, -0.0454061000000000 ] - [ 0.0004720500000000, -0.0001273700000000, -0.0005754100000000 ] - [ 0.0001200000000000, 0.0007551700000000, 0.0015159700000000 ] - [ -0.0001993400000000, 0.0003455300000000, 0.0001806600000000 ] - [ -0.0002868900000000, -0.0001515100000000, -0.0008905000000000 ] - [ 0.0004468600000000, 0.0000989700000000, 0.0004336400000000 ] - [ 0.0000289100000000, -0.0000761600000000, -0.0000028000000000 ] - [ 0.0005048100000000, -0.0000249700000000, 0.0001054700000000 ] - [ 0.0004060400000000, 0.0004685400000000, -0.0009171200000000 ] - [ -0.0009900200000000, 0.0001643600000000, -0.0006672600000000 ] - [ 0.0009170600000000, -0.0002259700000000, -0.0001117400000000 ] - [ 0.0002686300000000, 0.0004358500000000, 0.0005483800000000 ] - [ 0.0006279000000000, -0.0003293900000000, -0.0010193900000000 ] - [ 0.0001785500000000, 0.0001207600000000, -0.0010876900000000 ] - [ -0.0003658500000000, 0.0000872300000000, 0.0005955600000000 ] - [ -0.0021830100000000, -0.0003500900000000, 0.0012241900000000 ] - [ 0.0002428200000000, 0.0001487500000000, 0.0003312000000000 ] - [ 0.0004475600000000, -0.0002721000000000, 0.0001241600000000 ] - [ -0.0000857700000000, -0.0001979600000000, -0.0003575000000000 ] - [ -0.0000092200000000, 0.0004764300000000, 0.0000661600000000 ] - [ 0.0003154800000000, 0.0001456900000000, 0.0002257500000000 ] - [ -0.0001215100000000, 0.0003303900000000, -0.0000178000000000 ] - [ 0.0001689100000000, -0.0005339400000000, 0.0001405000000000 ] - [ -0.0289583300000000, -0.0071147300000000, -0.0462499600000000 ] - [ 0.0000546400000000, 0.0000765800000000, 0.0000830600000000 ] - [ -0.0000963100000000, -0.0011037300000000, -0.0002246500000000 ] - [ -0.0000854400000000, 0.0001893100000000, -0.0003798900000000 ] - [ -0.0000495800000000, -0.0001774300000000, -0.0001839500000000 ] - [ 0.0006077000000000, -0.0005647500000000, -0.0008294600000000 ] - [ 0.0000066500000000, -0.0002477100000000, -0.0013397400000000 ] - [ -0.0003256900000000, -0.0000060800000000, 0.0009895300000000 ] - [ 0.0004414200000000, 0.0003565600000000, -0.0002282700000000 ] - [ -0.0002639700000000, -0.0043911900000000, 0.0004281400000000 ] - [ -0.0006143300000000, 0.0000477900000000, -0.0001783500000000 ] - [ 0.0000355400000000, 0.0000079900000000, 0.0000046000000000 ] - [ -0.0000268500000000, -0.0004899300000000, 0.0005659800000000 ] - [ 0.0004807900000000, 0.0003113300000000, 0.0000843500000000 ] - [ 0.0001676700000000, 0.0003795400000000, -0.0001131300000000 ] - [ -0.0000600000000000, 0.0003101400000000, 0.0001291600000000 ] - [ 0.0164084400000000, -0.0026843500000000, -0.0091805300000000 ] - [ -0.0000307400000000, -0.0002053800000000, 0.0000295400000000 ] - [ 0.0001551800000000, 0.0003882000000000, 0.0011536700000000 ] - [ 0.0000021700000000, 0.0003626300000000, 0.0009170300000000 ] - [ -0.0004174500000000, 0.0000727000000000, 0.0006743000000000 ] - [ 0.0001351500000000, -0.0000466300000000, 0.0002704200000000 ] - [ -0.0002290000000000, 0.0003723800000000, 0.0005773200000000 ] - [ 0.0032188400000000, -0.0112033400000000, -0.0079073700000000 ] - [ -0.0002815400000000, -0.0000034900000000, 0.0003483300000000 ] - [ 0.0002280600000000, 0.0003349800000000, 0.0000861400000000 ]- atom: 37 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ -0.0027018300000000, 0.0003003100000000, -0.0021218200000000 ] - [ 0.0002616400000000, 0.0000952900000000, 0.0001175900000000 ] - [ 0.0000308100000000, -0.0001137100000000, -0.0000424900000000 ] - [ 0.0001588600000000, 0.0000339100000000, 0.0002268700000000 ] - [ -0.0002584500000000, 0.0000050600000000, 0.0003283600000000 ] - [ 0.0013072100000000, -0.0004287400000000, -0.0004795100000000 ] - [ -0.0003042200000000, -0.0008303400000000, 0.0000046800000000 ] - [ 0.0005593000000000, -0.0000018200000000, -0.0000056400000000 ] - [ 0.0009111300000000, 0.0005260800000000, 0.0026930000000000 ] - [ 0.0004260200000000, 0.0003974200000000, -0.0001304000000000 ] - [ 0.0006302500000000, -0.0001371900000000, -0.0001306800000000 ] - [ 0.0000664400000000, 0.0002715800000000, -0.0001358100000000 ] - [ 0.0018975500000000, -0.0001779000000000, -0.0008959400000000 ] - [ 0.0000799000000000, -0.0030091200000000, -0.0001881200000000 ] - [ 0.0001902300000000, -0.0000954500000000, 0.0000471300000000 ] - [ -0.0001310900000000, -0.0003847800000000, -0.0004062800000000 ] - [ -0.0003022400000000, 0.0000120200000000, 0.0001462500000000 ] - [ 0.0008749300000000, -0.0002543900000000, 0.0013354900000000 ] - [ 0.0003087000000000, 0.0000095700000000, -0.0000438600000000 ] - [ -0.0000449900000000, 0.0002172600000000, 0.0001072200000000 ] - [ -0.0007279300000000, 0.0030435700000000, 0.0001010500000000 ] - [ -0.0001669300000000, 0.0002660800000000, -0.0003796900000000 ] - [ -0.0006576200000000, -0.0000527500000000, -0.0005208000000000 ] - [ -0.0000679900000000, 0.0002546500000000, 0.0001133700000000 ] - [ -0.0001232500000000, -0.0002067300000000, -0.0003881300000000 ] - [ -0.0002994700000000, -0.0004323200000000, 0.0002566500000000 ] - [ 0.0004752400000000, 0.0000135000000000, -0.0000061700000000 ] - [ -0.0003182000000000, -0.0001173200000000, 0.0000078900000000 ] - [ 0.0004322500000000, 0.0000381900000000, 0.0002713300000000 ] - [ 0.0001218200000000, 0.0000336200000000, -0.0000663200000000 ] - [ 0.0001077500000000, 0.0003370400000000, -0.0000924400000000 ] - [ 0.0002660000000000, 0.0002007600000000, -0.0003832500000000 ] - [ 0.0014896400000000, 0.0022632000000000, -0.0019858800000000 ] - [ 0.0090672600000000, -0.0116558200000000, -0.0163593800000000 ] - [ -0.0010889300000000, -0.0008842900000000, -0.0003446200000000 ] - [ 0.0006267500000000, -0.0001214100000000, 0.0002297000000000 ] - [ -0.1097853500000000, 0.0005326600000000, 0.0102805700000000 ] - [ -0.0007860800000000, 0.0002557700000000, -0.0000630500000000 ] - [ -0.0011384200000000, 0.0003851000000000, 0.0000883600000000 ] - [ 0.0000255300000000, -0.0000195500000000, -0.0001778000000000 ] - [ 0.0007993200000000, 0.0006220400000000, -0.0000818400000000 ] - [ 0.0003729700000000, -0.0008700100000000, -0.0004504000000000 ] - [ -0.0024213700000000, 0.0070222200000000, 0.0035221000000000 ] - [ 0.0001752500000000, 0.0001072400000000, -0.0004134500000000 ] - [ 0.0002574900000000, 0.0002829400000000, 0.0003387300000000 ] - [ 0.0004953600000000, -0.0000277800000000, 0.0003466300000000 ] - [ -0.0001471800000000, 0.0000090300000000, 0.0000315400000000 ] - [ 0.0012459700000000, 0.0005014500000000, 0.0006105300000000 ] - [ 0.0002725300000000, 0.0003227600000000, -0.0007286400000000 ] - [ 0.0003926200000000, -0.0003902800000000, -0.0000837900000000 ] - [ 0.0001818400000000, -0.0001134600000000, 0.0003570700000000 ] - [ 0.0003227800000000, -0.0005005500000000, -0.0001374900000000 ] - [ -0.0001081900000000, 0.0003130500000000, -0.0000461100000000 ] - [ 0.0027074600000000, -0.0004579700000000, -0.0014420000000000 ] - [ -0.0000430800000000, 0.0001449200000000, 0.0000911200000000 ] - [ 0.0049889900000000, 0.0010295200000000, 0.0008216500000000 ] - [ 0.0002681000000000, -0.0012627500000000, 0.0003780700000000 ] - [ -0.0001102200000000, -0.0002383300000000, -0.0002140700000000 ] - [ -0.0003002400000000, -0.0006835100000000, -0.0003602200000000 ] - [ 0.0667334100000000, 0.0116446900000000, -0.0148165200000000 ] - [ 0.0006712800000000, -0.0000277800000000, -0.0000792600000000 ] - [ -0.0004492500000000, -0.0006320400000000, 0.0002091300000000 ] - [ -0.0004232900000000, -0.0002645300000000, 0.0002536500000000 ] - [ 0.0000936000000000, -0.0000435000000000, 0.0000825500000000 ] - [ 0.0000722100000000, 0.0007382700000000, 0.0006244300000000 ] - [ 0.0002439700000000, -0.0000024000000000, 0.0001555700000000 ] - [ -0.0000742700000000, -0.0001003600000000, -0.0004440600000000 ] - [ -0.0002216900000000, -0.0008562000000000, -0.0010360200000000 ] - [ -0.0001282600000000, -0.0000743800000000, -0.0002002400000000 ] - [ -0.0006638700000000, -0.0002643300000000, 0.0002727400000000 ] - [ -0.0001839000000000, 0.0004196400000000, -0.0001491000000000 ] - [ -0.0004992900000000, 0.0001405000000000, -0.0000841500000000 ] - [ -0.0001850900000000, -0.0001400100000000, -0.0006012200000000 ] - [ 0.0003135700000000, 0.0010425400000000, -0.0001518700000000 ] - [ 0.0011925400000000, 0.0006702000000000, 0.0036626900000000 ] - [ 0.0004581800000000, 0.0001724000000000, 0.0000246400000000 ] - [ 0.0016792700000000, 0.0002639400000000, 0.0003076900000000 ] - [ 0.0008027500000000, 0.0003643900000000, 0.0008428300000000 ] - [ -0.0009367000000000, -0.0001902500000000, 0.0006050600000000 ] - [ 0.0000543000000000, -0.0005488100000000, 0.0003752000000000 ] - [ -0.0001565600000000, 0.0003149700000000, -0.0003999200000000 ] - [ -0.0000881900000000, 0.0001188500000000, 0.0002533700000000 ] - [ -0.0010082500000000, -0.0004850000000000, -0.0001770700000000 ] - [ 0.0001604600000000, -0.0000500700000000, -0.0003418100000000 ] - [ -0.0006319700000000, -0.0003492800000000, -0.0002988900000000 ] - [ 0.0001822600000000, -0.0001653100000000, 0.0002034600000000 ] - [ 0.0227279500000000, -0.0079084500000000, 0.0178622500000000 ] - [ -0.0004978000000000, -0.0001671900000000, -0.0005020600000000 ]- atom: 37 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ 0.0025224800000000, 0.0001912000000000, 0.0026686100000000 ] - [ -0.0001336800000000, 0.0000384100000000, -0.0000885900000000 ] - [ 0.0004231800000000, -0.0000500100000000, 0.0000239500000000 ] - [ -0.0005778100000000, -0.0000382600000000, 0.0000033800000000 ] - [ 0.0002058300000000, 0.0000455200000000, -0.0000860300000000 ] - [ -0.0017885900000000, 0.0001439400000000, 0.0004615700000000 ] - [ -0.0001179000000000, 0.0008337100000000, 0.0002220200000000 ] - [ -0.0004309500000000, -0.0001263600000000, 0.0000308400000000 ] - [ -0.0013105000000000, -0.0000849000000000, -0.0023986100000000 ] - [ 0.0000088300000000, -0.0005944100000000, 0.0001462600000000 ] - [ -0.0002077000000000, 0.0001433300000000, -0.0000987100000000 ] - [ -0.0000116300000000, -0.0002182500000000, -0.0001084400000000 ] - [ -0.0023353100000000, -0.0000280500000000, 0.0008873400000000 ] - [ 0.0003733800000000, 0.0031492100000000, 0.0001665500000000 ] - [ -0.0002422000000000, 0.0000434200000000, 0.0001976000000000 ] - [ 0.0002974700000000, -0.0001075900000000, -0.0001557200000000 ] - [ -0.0001328400000000, 0.0001990900000000, -0.0001641500000000 ] - [ -0.0009992900000000, 0.0003842100000000, -0.0013485500000000 ] - [ 0.0001114300000000, -0.0000124000000000, -0.0001831600000000 ] - [ 0.0004804300000000, -0.0000059600000000, -0.0000894000000000 ] - [ 0.0002735000000000, -0.0028536600000000, -0.0000831700000000 ] - [ 0.0003311600000000, 0.0002284800000000, -0.0001782700000000 ] - [ 0.0002041200000000, -0.0001092700000000, 0.0005405100000000 ] - [ -0.0004034500000000, 0.0000339300000000, -0.0001257700000000 ] - [ 0.0005388600000000, -0.0002295700000000, 0.0001095400000000 ] - [ 0.0001350600000000, -0.0000578500000000, 0.0002994400000000 ] - [ -0.0000007300000000, -0.0002997100000000, 0.0000184500000000 ] - [ -0.0000993900000000, -0.0003177700000000, 0.0002721500000000 ] - [ 0.0000402600000000, 0.0002497300000000, -0.0002562300000000 ] - [ -0.0002474100000000, -0.0001624100000000, 0.0000370700000000 ] - [ 0.0003110900000000, 0.0001010300000000, -0.0001856900000000 ] - [ -0.0002098300000000, -0.0002533100000000, 0.0001354100000000 ] - [ -0.0014415900000000, -0.0022493500000000, 0.0019366500000000 ] - [ -0.0097273200000000, 0.0116627900000000, 0.0162400800000000 ] - [ 0.0002664900000000, 0.0009454800000000, 0.0001951500000000 ] - [ -0.0010726300000000, 0.0000386300000000, -0.0006536800000000 ] - [ 0.1078174700000000, -0.0018961700000000, -0.0082954800000000 ] - [ 0.0003238600000000, 0.0001111400000000, -0.0004913300000000 ] - [ 0.0006780100000000, -0.0007505500000000, -0.0006450300000000 ] - [ -0.0000460100000000, -0.0000094800000000, 0.0002596200000000 ] - [ -0.0008158000000000, -0.0006045700000000, 0.0001568700000000 ] - [ 0.0004405400000000, 0.0008052200000000, 0.0005939900000000 ] - [ 0.0028581900000000, -0.0069354600000000, -0.0030918000000000 ] - [ -0.0006172500000000, -0.0000264000000000, -0.0000246300000000 ] - [ 0.0002024800000000, 0.0000857200000000, 0.0002192200000000 ] - [ -0.0000447200000000, -0.0000505400000000, 0.0000849600000000 ] - [ 0.0001624800000000, -0.0000342900000000, -0.0001007100000000 ] - [ -0.0004210200000000, -0.0004381500000000, -0.0004658500000000 ] - [ -0.0003172500000000, -0.0003877300000000, 0.0003604100000000 ] - [ -0.0003723700000000, 0.0001285400000000, -0.0000641900000000 ] - [ 0.0001589800000000, 0.0004523900000000, 0.0002658500000000 ] - [ -0.0000347200000000, -0.0003593800000000, -0.0002801600000000 ] - [ 0.0005989400000000, -0.0001861800000000, -0.0003504200000000 ] - [ -0.0032400100000000, 0.0005799800000000, 0.0018617500000000 ] - [ 0.0000960600000000, 0.0001179800000000, 0.0002538400000000 ] - [ -0.0046918000000000, -0.0007501600000000, -0.0005764400000000 ] - [ 0.0005934000000000, 0.0009483400000000, -0.0002128300000000 ] - [ -0.0002302300000000, -0.0000990200000000, -0.0004066800000000 ] - [ 0.0000122700000000, 0.0008435500000000, 0.0000589900000000 ] - [ -0.0640694700000000, -0.0108046100000000, 0.0142384100000000 ] - [ -0.0006568700000000, 0.0002928800000000, -0.0000646600000000 ] - [ 0.0003943000000000, 0.0003762700000000, -0.0005532800000000 ] - [ 0.0005684000000000, -0.0002691600000000, 0.0004253900000000 ] - [ 0.0001899900000000, -0.0001152900000000, 0.0002175600000000 ] - [ -0.0000291100000000, -0.0006644000000000, -0.0002504900000000 ] - [ -0.0002596200000000, -0.0002605600000000, -0.0000116600000000 ] - [ -0.0000766300000000, -0.0004319300000000, -0.0002434100000000 ] - [ 0.0000732700000000, 0.0013808200000000, 0.0003357600000000 ] - [ -0.0001535600000000, -0.0000850900000000, -0.0001039700000000 ] - [ 0.0007182800000000, 0.0000030900000000, 0.0000729200000000 ] - [ -0.0003029500000000, -0.0005427500000000, 0.0005407100000000 ] - [ -0.0003653700000000, 0.0001646200000000, -0.0000939300000000 ] - [ 0.0001316200000000, 0.0004018100000000, 0.0002528200000000 ] - [ -0.0003580300000000, -0.0009737000000000, -0.0002180000000000 ] - [ -0.0014768000000000, -0.0015382500000000, -0.0032424800000000 ] - [ 0.0004064600000000, 0.0001342100000000, 0.0001523700000000 ] - [ -0.0015562300000000, 0.0003303600000000, -0.0004391500000000 ] - [ -0.0010850700000000, 0.0004882100000000, -0.0004178600000000 ] - [ 0.0008166200000000, -0.0003917100000000, -0.0004717300000000 ] - [ 0.0000570000000000, -0.0000366300000000, -0.0005096500000000 ] - [ 0.0001997600000000, -0.0003799700000000, 0.0007675200000000 ] - [ 0.0002357600000000, 0.0004135300000000, 0.0004361600000000 ] - [ 0.0001613100000000, 0.0001870500000000, 0.0000113400000000 ] - [ 0.0003262100000000, -0.0000752300000000, -0.0000577900000000 ] - [ 0.0005154300000000, 0.0009278500000000, 0.0004317200000000 ] - [ 0.0001607000000000, -0.0001715400000000, 0.0004140500000000 ] - [ -0.0234848300000000, 0.0084303100000000, -0.0191879400000000 ] - [ 0.0007750600000000, 0.0010320000000000, 0.0000709400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000462200000000, 0.0001586500000000, -0.0007998100000000 ] - [ 0.0002629400000000, 0.0000730800000000, -0.0001346800000000 ] - [ 0.0000912100000000, -0.0001501600000000, -0.0001444800000000 ] - [ -0.0004320400000000, -0.0000011200000000, 0.0005766900000000 ] - [ -0.0005109400000000, 0.0000481300000000, 0.0003476800000000 ] - [ -0.0004602600000000, -0.0005318400000000, -0.0000716900000000 ] - [ -0.0005877500000000, 0.0003644100000000, -0.0004144900000000 ] - [ 0.0001345700000000, -0.0001990100000000, 0.0003763200000000 ] - [ 0.0002970500000000, 0.0003409700000000, 0.0005112900000000 ] - [ 0.0000807800000000, 0.0020631600000000, -0.0000744300000000 ] - [ 0.0005364600000000, -0.0001510300000000, -0.0002159600000000 ] - [ 0.0001875400000000, -0.0001887700000000, 0.0002198100000000 ] - [ 0.0006140700000000, 0.0002797000000000, -0.0005695900000000 ] - [ -0.0022063400000000, -0.0003129000000000, 0.0007402800000000 ] - [ -0.0000278200000000, 0.0000081300000000, 0.0001148400000000 ] - [ -0.0000791300000000, -0.0002838300000000, -0.0001884400000000 ] - [ -0.0002405500000000, 0.0001237800000000, -0.0000039700000000 ] - [ -0.0000482500000000, 0.0002931500000000, -0.0001634300000000 ] - [ 0.0002327600000000, 0.0000052100000000, -0.0000803500000000 ] - [ 0.0002226200000000, 0.0000753900000000, 0.0001103200000000 ] - [ 0.0006208800000000, 0.0008969900000000, -0.0002260000000000 ] - [ -0.0001446100000000, 0.0003512500000000, -0.0003517800000000 ] - [ -0.0000926800000000, -0.0000240000000000, 0.0005281900000000 ] - [ -0.0001594800000000, 0.0001661000000000, 0.0000633000000000 ] - [ -0.0004978300000000, -0.0007860200000000, -0.0014828300000000 ] - [ 0.0000290200000000, 0.0003045000000000, 0.0004886800000000 ] - [ 0.0004491400000000, 0.0001544600000000, 0.0000437600000000 ] - [ -0.0002003600000000, -0.0001778700000000, 0.0001394000000000 ] - [ 0.0003573100000000, 0.0000846300000000, 0.0001225700000000 ] - [ -0.0003235200000000, 0.0004348200000000, 0.0000794700000000 ] - [ 0.0000069900000000, 0.0003465300000000, 0.0000438300000000 ] - [ 0.0017068200000000, -0.0006266500000000, -0.0013273800000000 ] - [ 0.0073716000000000, 0.0041826000000000, 0.0075241600000000 ] - [ -0.0127792500000000, 0.0220719700000000, 0.0300829300000000 ] - [ -0.0008321000000000, 0.0001060000000000, -0.0001631000000000 ] - [ -0.0000652100000000, -0.0002596300000000, -0.0002240400000000 ] - [ 0.0016599700000000, -0.0886242900000000, -0.0099389500000000 ] - [ -0.0001574000000000, -0.0000071200000000, -0.0003182300000000 ] - [ -0.0008006100000000, -0.0001437200000000, -0.0002040400000000 ] - [ -0.0000108700000000, 0.0002356300000000, 0.0000897400000000 ] - [ -0.0002751500000000, 0.0005871400000000, -0.0002864400000000 ] - [ 0.0003305300000000, -0.0004353900000000, 0.0000724900000000 ] - [ 0.0018955400000000, -0.0053204200000000, 0.0026646200000000 ] - [ -0.0001022300000000, 0.0002593500000000, -0.0002992100000000 ] - [ 0.0001360400000000, 0.0002835900000000, 0.0002493900000000 ] - [ 0.0004215500000000, 0.0004676900000000, -0.0006855600000000 ] - [ 0.0002294800000000, -0.0000495000000000, -0.0002688100000000 ] - [ 0.0005170600000000, 0.0004496900000000, -0.0002119900000000 ] - [ 0.0001022000000000, -0.0001043800000000, -0.0003804400000000 ] - [ -0.0000752000000000, 0.0002333100000000, -0.0001993600000000 ] - [ 0.0003053000000000, -0.0000494100000000, 0.0003901600000000 ] - [ 0.0000821000000000, -0.0004478300000000, -0.0003156200000000 ] - [ 0.0001195800000000, 0.0002003300000000, -0.0002331300000000 ] - [ 0.0021981200000000, 0.0003372400000000, -0.0014573000000000 ] - [ 0.0000325900000000, 0.0000977600000000, 0.0000747800000000 ] - [ 0.0004595800000000, 0.0435961400000000, -0.0137728900000000 ] - [ 0.0001816100000000, -0.0007979500000000, -0.0010588400000000 ] - [ -0.0001570400000000, -0.0004887300000000, -0.0000690400000000 ] - [ 0.0003150200000000, 0.0000573700000000, -0.0001182300000000 ] - [ 0.0095052800000000, 0.0077478500000000, -0.0012604600000000 ] - [ 0.0005223400000000, -0.0001284700000000, -0.0002529300000000 ] - [ -0.0015227900000000, 0.0002376500000000, -0.0006877600000000 ] - [ -0.0001235900000000, -0.0001017400000000, 0.0004086800000000 ] - [ 0.0001882000000000, -0.0001299100000000, 0.0002309300000000 ] - [ -0.0001296400000000, 0.0006598800000000, 0.0002649100000000 ] - [ 0.0000726700000000, -0.0004256100000000, 0.0000722400000000 ] - [ -0.0006955300000000, -0.0011151600000000, 0.0003408100000000 ] - [ -0.0002351600000000, 0.0022036100000000, -0.0011409000000000 ] - [ -0.0002592000000000, -0.0001469200000000, -0.0003016900000000 ] - [ -0.0000440500000000, -0.0004185800000000, 0.0002391200000000 ] - [ -0.0001832400000000, -0.0001635300000000, -0.0001333000000000 ] - [ -0.0004083700000000, 0.0000829600000000, -0.0001045800000000 ] - [ -0.0001259200000000, 0.0002978100000000, 0.0001950900000000 ] - [ -0.0000247700000000, 0.0028303300000000, -0.0000670400000000 ] - [ -0.0006862000000000, -0.0008879100000000, -0.0025160100000000 ] - [ 0.0003384700000000, 0.0003015800000000, 0.0004663500000000 ] - [ 0.0004316100000000, 0.0010154300000000, -0.0008354100000000 ] - [ 0.0000321400000000, 0.0000940800000000, 0.0005951200000000 ] - [ -0.0000887000000000, -0.0002595900000000, 0.0002562200000000 ] - [ 0.0000371900000000, -0.0010928900000000, 0.0007995200000000 ] - [ 0.0000295700000000, 0.0001382100000000, 0.0000747900000000 ] - [ -0.0000721700000000, -0.0000445300000000, 0.0003144100000000 ] - [ -0.0008392400000000, -0.0007211700000000, -0.0002451400000000 ] - [ 0.0004950100000000, -0.0000170000000000, -0.0000837300000000 ] - [ -0.0001576900000000, 0.0001343400000000, 0.0001527900000000 ] - [ 0.0001289100000000, -0.0001089100000000, 0.0003643000000000 ] - [ -0.0070344300000000, 0.0102945500000000, -0.0064549500000000 ] - [ -0.0001183600000000, 0.0001463500000000, 0.0001084400000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002124500000000, 0.0003304600000000, 0.0013646700000000 ] - [ -0.0001385900000000, 0.0000582100000000, 0.0001607700000000 ] - [ 0.0003624800000000, -0.0000160100000000, 0.0001249700000000 ] - [ 0.0000131000000000, -0.0000041000000000, -0.0003499200000000 ] - [ 0.0004580300000000, 0.0000010800000000, -0.0001028700000000 ] - [ -0.0000071800000000, 0.0002445900000000, 0.0000540300000000 ] - [ 0.0001645800000000, -0.0003569800000000, 0.0006338100000000 ] - [ -0.0000096200000000, 0.0000679500000000, -0.0003521200000000 ] - [ -0.0007175000000000, 0.0000932300000000, -0.0002387000000000 ] - [ 0.0003570800000000, -0.0022431900000000, 0.0000887500000000 ] - [ -0.0001170900000000, 0.0001548100000000, -0.0000114200000000 ] - [ -0.0001319200000000, 0.0002379000000000, -0.0004627100000000 ] - [ -0.0010540400000000, -0.0004885400000000, 0.0005526400000000 ] - [ 0.0026709300000000, 0.0004683900000000, -0.0007636400000000 ] - [ -0.0000262200000000, -0.0000619200000000, 0.0001295100000000 ] - [ 0.0002442100000000, -0.0002097200000000, -0.0003738200000000 ] - [ -0.0001969300000000, 0.0000837000000000, -0.0000137500000000 ] - [ -0.0000749900000000, -0.0001619200000000, 0.0001430600000000 ] - [ 0.0001863600000000, -0.0000102600000000, -0.0001471500000000 ] - [ 0.0002147900000000, 0.0001339400000000, -0.0000932200000000 ] - [ -0.0010663200000000, -0.0007267400000000, 0.0002413600000000 ] - [ 0.0003077400000000, 0.0001414800000000, -0.0002048400000000 ] - [ -0.0003627000000000, -0.0001391500000000, -0.0005111000000000 ] - [ -0.0003121800000000, 0.0001202200000000, -0.0000787100000000 ] - [ 0.0009185000000000, 0.0003493800000000, 0.0012106700000000 ] - [ -0.0001889700000000, -0.0008007700000000, 0.0000749300000000 ] - [ 0.0000239500000000, -0.0004442000000000, -0.0000288100000000 ] - [ -0.0002190400000000, -0.0002603900000000, 0.0001398700000000 ] - [ 0.0001138200000000, 0.0002019600000000, -0.0001070600000000 ] - [ 0.0001905500000000, -0.0005705500000000, -0.0001038800000000 ] - [ 0.0004112100000000, 0.0000888900000000, -0.0003226500000000 ] - [ -0.0016587100000000, 0.0005753600000000, 0.0010856500000000 ] - [ -0.0073837100000000, -0.0042244200000000, -0.0076125000000000 ] - [ 0.0117451000000000, -0.0221299800000000, -0.0296506000000000 ] - [ 0.0000164800000000, -0.0000507400000000, 0.0000218400000000 ] - [ -0.0003846500000000, 0.0001784600000000, -0.0002139100000000 ] - [ -0.0006100800000000, 0.0904915600000000, 0.0092152800000000 ] - [ -0.0003070300000000, 0.0003777300000000, -0.0002296800000000 ] - [ 0.0003384200000000, -0.0002285100000000, -0.0003448100000000 ] - [ -0.0000100700000000, -0.0002659400000000, -0.0000171100000000 ] - [ 0.0002532800000000, -0.0005600200000000, 0.0003619000000000 ] - [ 0.0004824900000000, 0.0003764600000000, 0.0000658600000000 ] - [ -0.0014327400000000, 0.0054171200000000, -0.0022317600000000 ] - [ -0.0003460600000000, -0.0001785300000000, -0.0001377100000000 ] - [ 0.0003318000000000, 0.0000871300000000, 0.0002962600000000 ] - [ 0.0000320400000000, -0.0005456400000000, 0.0011247400000000 ] - [ -0.0002092600000000, 0.0000187900000000, 0.0001956200000000 ] - [ 0.0002974300000000, -0.0003931200000000, 0.0003546300000000 ] - [ -0.0001484500000000, 0.0000387800000000, 0.0000111500000000 ] - [ 0.0000957400000000, -0.0004980500000000, 0.0000515700000000 ] - [ 0.0000389700000000, 0.0003919200000000, 0.0002318500000000 ] - [ 0.0002096000000000, -0.0004127300000000, -0.0000986100000000 ] - [ 0.0003689200000000, -0.0000740700000000, -0.0001619900000000 ] - [ -0.0027051300000000, -0.0002025800000000, 0.0018629000000000 ] - [ 0.0000188600000000, 0.0001629500000000, 0.0002724900000000 ] - [ -0.0004024500000000, -0.0454276700000000, 0.0147012100000000 ] - [ 0.0006731100000000, 0.0004800500000000, 0.0012176400000000 ] - [ -0.0001892600000000, 0.0001455700000000, -0.0005545800000000 ] - [ -0.0006016200000000, 0.0000997300000000, -0.0001851100000000 ] - [ -0.0096752200000000, -0.0076084900000000, 0.0014490000000000 ] - [ -0.0005057100000000, 0.0003934500000000, 0.0001085400000000 ] - [ 0.0014762700000000, -0.0004990600000000, 0.0003438300000000 ] - [ 0.0002740500000000, -0.0004321900000000, 0.0002793800000000 ] - [ 0.0000956100000000, -0.0000277600000000, 0.0000724800000000 ] - [ 0.0001765000000000, -0.0005924300000000, 0.0001070800000000 ] - [ -0.0000912300000000, 0.0001624800000000, 0.0000748700000000 ] - [ 0.0005433700000000, 0.0005764900000000, -0.0010291300000000 ] - [ 0.0000810700000000, -0.0016766000000000, 0.0004446000000000 ] - [ -0.0000234600000000, -0.0000116900000000, -0.0000025300000000 ] - [ 0.0000957500000000, 0.0001588600000000, 0.0001067300000000 ] - [ -0.0003040700000000, 0.0000361900000000, 0.0005274800000000 ] - [ -0.0004566500000000, 0.0002182100000000, -0.0000721300000000 ] - [ 0.0000730300000000, -0.0000374700000000, -0.0005405700000000 ] - [ -0.0000129800000000, -0.0027108700000000, -0.0003328100000000 ] - [ 0.0004062900000000, 0.0000430600000000, 0.0029516800000000 ] - [ 0.0005255400000000, 0.0000006100000000, -0.0002903300000000 ] - [ -0.0003228600000000, -0.0004388200000000, 0.0007032900000000 ] - [ -0.0003225000000000, 0.0007647100000000, -0.0001792200000000 ] - [ -0.0000201300000000, -0.0003267500000000, -0.0001236500000000 ] - [ 0.0000687700000000, 0.0004994800000000, -0.0009285400000000 ] - [ 0.0000151600000000, -0.0002048300000000, 0.0002947900000000 ] - [ 0.0002191300000000, 0.0005748100000000, 0.0003747800000000 ] - [ -0.0000227800000000, 0.0004177700000000, 0.0000686600000000 ] - [ -0.0000080200000000, -0.0001095300000000, -0.0003158500000000 ] - [ 0.0000489000000000, 0.0004478100000000, -0.0000156800000000 ] - [ 0.0002173000000000, -0.0002353800000000, 0.0002559200000000 ] - [ 0.0067290200000000, -0.0100275000000000, 0.0059129100000000 ] - [ 0.0004052300000000, 0.0007140900000000, -0.0005305100000000 ]- atom: 37 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ -0.0016348800000000, -0.0002992200000000, 0.0022773300000000 ] - [ 0.0000099200000000, 0.0000457900000000, 0.0000502900000000 ] - [ 0.0002633400000000, -0.0001120000000000, 0.0000376700000000 ] - [ -0.0003474700000000, 0.0000104500000000, 0.0006202700000000 ] - [ -0.0004788200000000, 0.0000758200000000, 0.0001954800000000 ] - [ 0.0005597700000000, -0.0000816200000000, -0.0013262300000000 ] - [ -0.0002208000000000, -0.0012160200000000, -0.0002674300000000 ] - [ 0.0002204800000000, 0.0001745300000000, -0.0000472200000000 ] - [ 0.0002279700000000, 0.0002675300000000, -0.0009975200000000 ] - [ 0.0002439400000000, -0.0001126100000000, 0.0004455400000000 ] - [ 0.0002013600000000, 0.0000588700000000, -0.0001561200000000 ] - [ -0.0000446800000000, 0.0001946400000000, -0.0004044900000000 ] - [ 0.0003833100000000, -0.0001119200000000, -0.0000489700000000 ] - [ 0.0004010500000000, 0.0009177800000000, -0.0004066100000000 ] - [ 0.0000006500000000, -0.0001457300000000, 0.0001383700000000 ] - [ -0.0001306200000000, -0.0002706600000000, -0.0001462500000000 ] - [ -0.0002330100000000, 0.0001288800000000, -0.0000111800000000 ] - [ 0.0000645700000000, -0.0001452800000000, 0.0009877400000000 ] - [ 0.0001681400000000, -0.0000076500000000, -0.0000994800000000 ] - [ 0.0002541300000000, 0.0000819600000000, 0.0003281700000000 ] - [ 0.0001660700000000, -0.0007015600000000, -0.0001854700000000 ] - [ 0.0001852100000000, 0.0001941000000000, -0.0001995800000000 ] - [ -0.0001874500000000, -0.0000501500000000, 0.0003593800000000 ] - [ -0.0002568900000000, 0.0001561200000000, 0.0000384100000000 ] - [ 0.0003365200000000, -0.0007697100000000, 0.0001474400000000 ] - [ 0.0001809900000000, 0.0001199100000000, 0.0005991900000000 ] - [ 0.0000788400000000, -0.0001864500000000, 0.0000850400000000 ] - [ -0.0002498700000000, -0.0002159800000000, 0.0001735900000000 ] - [ 0.0001775000000000, 0.0001386700000000, 0.0001078000000000 ] - [ -0.0005527300000000, 0.0002434900000000, 0.0000025400000000 ] - [ 0.0003512700000000, 0.0004575000000000, -0.0003024600000000 ] - [ -0.0003442600000000, -0.0005872400000000, 0.0001316000000000 ] - [ -0.0034447300000000, 0.0019310100000000, -0.0052679500000000 ] - [ -0.0180123800000000, 0.0310266600000000, 0.0447828000000000 ] - [ -0.0002915900000000, 0.0000016200000000, 0.0002673800000000 ] - [ 0.0000882100000000, 0.0002852900000000, 0.0006498000000000 ] - [ 0.0154218800000000, -0.0104177600000000, -0.0979764500000000 ] - [ 0.0000162100000000, 0.0001364700000000, -0.0002406900000000 ] - [ 0.0001847900000000, -0.0002902900000000, -0.0002186800000000 ] - [ -0.0001927700000000, -0.0000399000000000, 0.0002330400000000 ] - [ 0.0002288900000000, -0.0001302200000000, 0.0001895500000000 ] - [ 0.0002763900000000, 0.0001385400000000, -0.0001492300000000 ] - [ 0.0011611700000000, 0.0069605400000000, 0.0053060900000000 ] - [ -0.0003809100000000, -0.0000009100000000, -0.0003728600000000 ] - [ 0.0002887000000000, 0.0002043400000000, 0.0004102500000000 ] - [ 0.0002329000000000, -0.0000163100000000, 0.0003464000000000 ] - [ -0.0000887500000000, -0.0002702600000000, 0.0001198200000000 ] - [ 0.0000968300000000, -0.0001095600000000, 0.0002311600000000 ] - [ -0.0000634700000000, 0.0001138800000000, -0.0005721500000000 ] - [ -0.0000681000000000, -0.0000026700000000, -0.0002932600000000 ] - [ 0.0000927000000000, 0.0002388700000000, 0.0003302600000000 ] - [ 0.0003815100000000, -0.0005515000000000, -0.0002070000000000 ] - [ 0.0002370900000000, 0.0000068600000000, -0.0001675700000000 ] - [ 0.0010825900000000, -0.0001417400000000, -0.0005220400000000 ] - [ 0.0001838900000000, 0.0001398300000000, -0.0000071300000000 ] - [ 0.0021891700000000, -0.0103506600000000, 0.0105052400000000 ] - [ 0.0013130500000000, -0.0005532000000000, 0.0020004400000000 ] - [ -0.0002716500000000, -0.0003428700000000, -0.0004322000000000 ] - [ -0.0000971100000000, 0.0000623000000000, -0.0000950300000000 ] - [ -0.0204548800000000, -0.0027140800000000, 0.0112885600000000 ] - [ -0.0006011000000000, 0.0001460600000000, 0.0001278900000000 ] - [ 0.0000721600000000, -0.0007661200000000, 0.0005553800000000 ] - [ -0.0003010900000000, -0.0006055000000000, -0.0005678800000000 ] - [ 0.0001454300000000, -0.0000163500000000, 0.0001438000000000 ] - [ 0.0001892500000000, -0.0000826600000000, 0.0003076700000000 ] - [ 0.0000554100000000, -0.0002017000000000, -0.0001094800000000 ] - [ 0.0000950500000000, -0.0005241600000000, -0.0005534400000000 ] - [ -0.0001331100000000, -0.0001498200000000, -0.0002369200000000 ] - [ -0.0001818300000000, -0.0001562100000000, -0.0003250900000000 ] - [ -0.0002633100000000, 0.0001898000000000, 0.0003467200000000 ] - [ -0.0002645700000000, 0.0004909300000000, 0.0001246200000000 ] - [ -0.0004137500000000, 0.0001682300000000, -0.0001644700000000 ] - [ 0.0001017300000000, 0.0001447100000000, -0.0003865000000000 ] - [ 0.0001334200000000, -0.0042078100000000, -0.0002854700000000 ] - [ -0.0001591600000000, -0.0005699200000000, 0.0010690900000000 ] - [ 0.0003996000000000, 0.0002686300000000, -0.0000796100000000 ] - [ 0.0003291800000000, -0.0010887000000000, -0.0004143600000000 ] - [ -0.0000437900000000, 0.0009656400000000, -0.0001827200000000 ] - [ -0.0005255100000000, -0.0002919100000000, 0.0001690900000000 ] - [ 0.0000471900000000, -0.0006578400000000, -0.0002391000000000 ] - [ 0.0001088100000000, -0.0000770000000000, 0.0002606200000000 ] - [ 0.0002042300000000, 0.0001669100000000, 0.0003757300000000 ] - [ 0.0006814200000000, 0.0000404600000000, 0.0001000100000000 ] - [ 0.0003617800000000, -0.0000356900000000, -0.0002407000000000 ] - [ -0.0000106100000000, 0.0005750900000000, 0.0003796800000000 ] - [ 0.0000805400000000, -0.0001034900000000, 0.0001639400000000 ] - [ 0.0197163100000000, -0.0078956400000000, 0.0276923600000000 ] - [ 0.0002731600000000, 0.0007074900000000, -0.0002962900000000 ]- atom: 37 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ 0.0014814300000000, 0.0007981100000000, -0.0017390100000000 ] - [ 0.0001149000000000, 0.0000859700000000, -0.0000264400000000 ] - [ 0.0001917800000000, -0.0000526100000000, -0.0000591400000000 ] - [ -0.0000761300000000, -0.0000167300000000, -0.0003950600000000 ] - [ 0.0004287300000000, -0.0000266900000000, 0.0000493600000000 ] - [ -0.0010332800000000, -0.0002062800000000, 0.0013164500000000 ] - [ -0.0001982500000000, 0.0012215800000000, 0.0004947000000000 ] - [ -0.0000949800000000, -0.0003054800000000, 0.0000703600000000 ] - [ -0.0006434400000000, 0.0001696300000000, 0.0012704600000000 ] - [ 0.0001924700000000, -0.0000931800000000, -0.0004234200000000 ] - [ 0.0002180800000000, -0.0000551500000000, -0.0000720100000000 ] - [ 0.0000984300000000, -0.0001418000000000, 0.0001564900000000 ] - [ -0.0008207100000000, -0.0000981900000000, 0.0000322000000000 ] - [ 0.0000521900000000, -0.0007525000000000, 0.0003885300000000 ] - [ -0.0000556500000000, 0.0000928200000000, 0.0001057100000000 ] - [ 0.0002971100000000, -0.0002228400000000, -0.0004163400000000 ] - [ -0.0002026300000000, 0.0000802100000000, -0.0000074800000000 ] - [ -0.0001850300000000, 0.0002727000000000, -0.0010027700000000 ] - [ 0.0002508900000000, 0.0000015200000000, -0.0001277200000000 ] - [ 0.0001810500000000, 0.0001279600000000, -0.0003112100000000 ] - [ -0.0006222500000000, 0.0008639400000000, 0.0002049100000000 ] - [ -0.0000209900000000, 0.0002988000000000, -0.0003576100000000 ] - [ -0.0002656700000000, -0.0001140300000000, -0.0003382000000000 ] - [ -0.0002172200000000, 0.0001303700000000, -0.0000523200000000 ] - [ 0.0000836300000000, 0.0003260600000000, -0.0004176000000000 ] - [ -0.0003454600000000, -0.0006086300000000, -0.0000466000000000 ] - [ 0.0003917300000000, -0.0001019300000000, -0.0000700600000000 ] - [ -0.0001683400000000, -0.0002217500000000, 0.0001052800000000 ] - [ 0.0002946600000000, 0.0001483300000000, -0.0000920300000000 ] - [ 0.0004308600000000, -0.0003768900000000, -0.0000273500000000 ] - [ 0.0000713500000000, -0.0000211600000000, 0.0000263100000000 ] - [ 0.0003990400000000, 0.0005344800000000, -0.0003780000000000 ] - [ 0.0034574000000000, -0.0018938600000000, 0.0052166200000000 ] - [ 0.0166273200000000, -0.0301296300000000, -0.0439992300000000 ] - [ -0.0005216900000000, 0.0000568800000000, -0.0004100300000000 ] - [ -0.0005333600000000, -0.0003689700000000, -0.0010943700000000 ] - [ -0.0136049600000000, 0.0088618600000000, 0.0982827300000000 ] - [ -0.0004733500000000, 0.0002326500000000, -0.0003110000000000 ] - [ -0.0006388500000000, -0.0000829200000000, -0.0003370300000000 ] - [ 0.0001714600000000, 0.0000136600000000, -0.0001644300000000 ] - [ -0.0002563200000000, 0.0001630700000000, -0.0001185400000000 ] - [ 0.0005379800000000, -0.0001954500000000, 0.0002896800000000 ] - [ -0.0007414700000000, -0.0068941800000000, -0.0049157100000000 ] - [ -0.0000611100000000, 0.0000853200000000, -0.0000712500000000 ] - [ 0.0001677300000000, 0.0001693500000000, 0.0001403600000000 ] - [ 0.0002132500000000, -0.0000655700000000, 0.0000948100000000 ] - [ 0.0001097500000000, 0.0002418000000000, -0.0001909400000000 ] - [ 0.0007198800000000, 0.0001657500000000, -0.0000914900000000 ] - [ 0.0000184800000000, -0.0001827200000000, 0.0002012300000000 ] - [ 0.0000876500000000, -0.0002628200000000, 0.0001466800000000 ] - [ 0.0002491000000000, 0.0001000200000000, 0.0002915100000000 ] - [ -0.0000904300000000, -0.0003079700000000, -0.0002089300000000 ] - [ 0.0002520200000000, 0.0001184400000000, -0.0002291100000000 ] - [ -0.0016122100000000, 0.0002691100000000, 0.0009480600000000 ] - [ -0.0001308400000000, 0.0001206000000000, 0.0003537900000000 ] - [ -0.0018992900000000, 0.0105181500000000, -0.0102634900000000 ] - [ -0.0004437300000000, 0.0002503100000000, -0.0018269200000000 ] - [ -0.0000693500000000, 0.0000014700000000, -0.0001904100000000 ] - [ -0.0001873500000000, 0.0000975000000000, -0.0002069200000000 ] - [ 0.0204275000000000, 0.0029899800000000, -0.0110252500000000 ] - [ 0.0006167800000000, 0.0001184600000000, -0.0002732000000000 ] - [ -0.0001244300000000, 0.0005079300000000, -0.0009079500000000 ] - [ 0.0004528900000000, 0.0000720500000000, 0.0012562800000000 ] - [ 0.0001379800000000, -0.0001430900000000, 0.0001584000000000 ] - [ -0.0001449100000000, 0.0001480000000000, 0.0000600000000000 ] - [ -0.0000709500000000, -0.0000639400000000, 0.0002520500000000 ] - [ -0.0002465800000000, -0.0000098000000000, -0.0001346600000000 ] - [ -0.0000235900000000, 0.0006635100000000, -0.0004685600000000 ] - [ -0.0000988000000000, -0.0000026200000000, 0.0000219700000000 ] - [ 0.0003199100000000, -0.0004526400000000, -0.0000011600000000 ] - [ -0.0002237600000000, -0.0006137500000000, 0.0002717400000000 ] - [ -0.0004519200000000, 0.0001353500000000, -0.0000121700000000 ] - [ -0.0001536200000000, 0.0001149000000000, 0.0000379800000000 ] - [ -0.0001722800000000, 0.0043037200000000, -0.0000739000000000 ] - [ -0.0000939400000000, -0.0002958600000000, -0.0006006700000000 ] - [ 0.0004648400000000, 0.0000342900000000, 0.0002563000000000 ] - [ -0.0002178500000000, 0.0016728600000000, 0.0002791500000000 ] - [ -0.0002476100000000, -0.0001088000000000, 0.0005998100000000 ] - [ 0.0004126200000000, -0.0002927900000000, -0.0000355800000000 ] - [ 0.0000638000000000, 0.0000733100000000, 0.0001050500000000 ] - [ -0.0000640900000000, 0.0000092700000000, 0.0001088700000000 ] - [ -0.0000558400000000, 0.0003644100000000, 0.0003128500000000 ] - [ -0.0015489800000000, -0.0003457800000000, -0.0002762700000000 ] - [ 0.0001256900000000, -0.0000917100000000, -0.0001583400000000 ] - [ -0.0001015400000000, 0.0000079800000000, -0.0002439600000000 ] - [ 0.0002639400000000, -0.0002363000000000, 0.0004565000000000 ] - [ -0.0208348200000000, 0.0084690200000000, -0.0290370600000000 ] - [ 0.0000135200000000, 0.0001535600000000, -0.0001242700000000 ]- atom: 49 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ 0.0008399600000000, 0.0002259200000000, 0.0015115100000000 ] - [ 0.0000570600000000, 0.0000654500000000, -0.0000084300000000 ] - [ 0.0002124900000000, -0.0003091700000000, 0.0000044500000000 ] - [ 0.0005317000000000, -0.0002229200000000, 0.0030593700000000 ] - [ -0.0000387700000000, -0.0000096000000000, -0.0000310600000000 ] - [ -0.0002406700000000, -0.0001488000000000, -0.0000655700000000 ] - [ 0.0001450700000000, 0.0000132800000000, 0.0003268500000000 ] - [ 0.0000506700000000, 0.0000071900000000, 0.0000233300000000 ] - [ -0.0002645100000000, 0.0002084300000000, 0.0000725900000000 ] - [ 0.0002458900000000, -0.0001103300000000, 0.0000385200000000 ] - [ 0.0002035800000000, -0.0000039200000000, -0.0001217500000000 ] - [ 0.0002140800000000, 0.0004615700000000, -0.0002404100000000 ] - [ -0.0002495900000000, -0.0000846300000000, -0.0001328200000000 ] - [ 0.0002004400000000, 0.0000515600000000, -0.0000264800000000 ] - [ -0.0003028100000000, -0.0001768200000000, 0.0002198100000000 ] - [ 0.0000499300000000, -0.0000906900000000, -0.0002756800000000 ] - [ -0.0003241500000000, 0.0001474300000000, -0.0000081600000000 ] - [ 0.0061771300000000, 0.0000293200000000, -0.0023844300000000 ] - [ 0.0001676400000000, 0.0000374300000000, -0.0001589000000000 ] - [ -0.0009648400000000, -0.0001511400000000, -0.0000140500000000 ] - [ -0.0003107000000000, 0.0001297600000000, -0.0001479400000000 ] - [ 0.0000581900000000, 0.0002549800000000, -0.0003096700000000 ] - [ 0.0070588300000000, 0.0009775100000000, -0.0033216200000000 ] - [ -0.0003796900000000, 0.0003474000000000, -0.0003094400000000 ] - [ 0.0001633500000000, -0.0001936200000000, -0.0001295000000000 ] - [ -0.0000639900000000, -0.0002813600000000, 0.0004010600000000 ] - [ 0.0002179600000000, -0.0001168500000000, 0.0000973400000000 ] - [ -0.0005116800000000, -0.0004031900000000, 0.0000581400000000 ] - [ 0.0002439200000000, 0.0000037200000000, -0.0000359500000000 ] - [ -0.0000258900000000, -0.0000389700000000, 0.0000065900000000 ] - [ 0.0002213300000000, 0.0000014700000000, -0.0000744500000000 ] - [ 0.0000694600000000, -0.0000533000000000, -0.0000543600000000 ] - [ -0.0001251600000000, 0.0001201200000000, -0.0000043000000000 ] - [ -0.0001211400000000, -0.0000179300000000, -0.0000144300000000 ] - [ 0.0046009800000000, -0.0039960200000000, -0.0011556500000000 ] - [ -0.0010507500000000, 0.0001187700000000, 0.0007037000000000 ] - [ 0.0005310800000000, -0.0000540400000000, 0.0002553400000000 ] - [ -0.0001786100000000, 0.0000308200000000, -0.0001099800000000 ] - [ -0.0004016300000000, -0.0001911300000000, -0.0002013300000000 ] - [ -0.0009497200000000, -0.0000027300000000, 0.0013363500000000 ] - [ -0.0001363900000000, 0.0000037700000000, -0.0000276300000000 ] - [ 0.0000029700000000, -0.0000003500000000, 0.0001275700000000 ] - [ 0.0006859700000000, -0.0000782900000000, 0.0003636000000000 ] - [ -0.0002987800000000, 0.0000639000000000, -0.0002815600000000 ] - [ 0.0005684200000000, 0.0001876500000000, 0.0004461000000000 ] - [ 0.0002260500000000, 0.0001506600000000, 0.0000942300000000 ] - [ 0.0002655300000000, 0.0001944300000000, -0.0001385800000000 ] - [ 0.0003708800000000, -0.0000282100000000, 0.0000132200000000 ] - [ -0.0222325600000000, 0.0044685500000000, 0.0036265600000000 ] - [ -0.0002386100000000, -0.0002089800000000, -0.0001040100000000 ] - [ 0.0002531800000000, 0.0001284400000000, 0.0003843300000000 ] - [ 0.0003540400000000, -0.0004383800000000, -0.0002086500000000 ] - [ 0.0005814200000000, 0.0000591200000000, -0.0002326900000000 ] - [ -0.0002518400000000, 0.0000888200000000, 0.0002145500000000 ] - [ 0.0018906100000000, -0.0004258400000000, -0.0007128700000000 ] - [ 0.0000766200000000, -0.0000225600000000, 0.0000815000000000 ] - [ 0.0005329800000000, -0.0002551700000000, 0.0000001600000000 ] - [ -0.0002656300000000, -0.0002965200000000, -0.0004495700000000 ] - [ -0.0001101800000000, 0.0000615000000000, -0.0001844600000000 ] - [ -0.0000354200000000, 0.0000802400000000, 0.0001957800000000 ] - [ 0.0002446200000000, 0.0003137600000000, 0.0000678400000000 ] - [ -0.0000768700000000, -0.0001069000000000, -0.0001706500000000 ] - [ 0.0009919100000000, -0.0002247300000000, 0.0003201800000000 ] - [ -0.0001022500000000, 0.0001232800000000, 0.0000757500000000 ] - [ 0.0001460700000000, -0.0000549000000000, 0.0001525500000000 ] - [ 0.0001581500000000, 0.0010788900000000, -0.0000070600000000 ] - [ -0.0001005700000000, -0.0003085600000000, -0.0003824800000000 ] - [ -0.0001686500000000, 0.0009707300000000, -0.0005826800000000 ] - [ 0.0007562800000000, 0.0001885200000000, -0.0001439900000000 ] - [ 0.0001572600000000, -0.0000812800000000, 0.0001817200000000 ] - [ 0.0006098800000000, -0.0038358400000000, -0.0011736200000000 ] - [ -0.0002211600000000, 0.0001620900000000, -0.0002523300000000 ] - [ -0.0000799700000000, 0.0000005600000000, 0.0000045000000000 ] - [ -0.0000931600000000, -0.0000328300000000, -0.0001755700000000 ] - [ -0.0003122700000000, -0.0004439600000000, -0.0001303700000000 ] - [ 0.0002663800000000, -0.0003614200000000, -0.0000803800000000 ] - [ -0.0001087000000000, -0.0000728900000000, 0.0001358900000000 ] - [ -0.0010126100000000, 0.0025458500000000, 0.0013688600000000 ] - [ 0.0009408400000000, -0.0008019200000000, -0.0010254500000000 ] - [ -0.0000419600000000, -0.0003104800000000, -0.0001528300000000 ] - [ 0.0000435800000000, 0.0000493600000000, 0.0001683000000000 ] - [ 0.0001246200000000, 0.0003203500000000, 0.0003688000000000 ] - [ -0.0003598200000000, -0.0001346500000000, -0.0000719000000000 ] - [ 0.0002765500000000, -0.0000102000000000, -0.0001386000000000 ] - [ 0.0000173300000000, 0.0002761700000000, 0.0000618300000000 ] - [ 0.0002712700000000, -0.0001175800000000, 0.0002139000000000 ] - [ -0.0005050200000000, 0.0001303100000000, -0.0004428900000000 ] - [ 0.0001825400000000, 0.0004305400000000, -0.0001755500000000 ]- atom: 49 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0010037100000000, 0.0002630600000000, -0.0009177000000000 ] - [ 0.0000664800000000, 0.0000672400000000, 0.0000302900000000 ] - [ 0.0002417300000000, 0.0001434000000000, -0.0000215000000000 ] - [ -0.0009269500000000, 0.0002135600000000, -0.0028354700000000 ] - [ -0.0000184200000000, 0.0000600300000000, 0.0002749800000000 ] - [ -0.0002299400000000, -0.0001391700000000, 0.0000472400000000 ] - [ -0.0005676400000000, -0.0000113600000000, -0.0000978700000000 ] - [ 0.0000727000000000, -0.0001367500000000, 0.0000010700000000 ] - [ -0.0001524100000000, 0.0002272700000000, 0.0002042500000000 ] - [ 0.0001929300000000, -0.0000966100000000, -0.0000207100000000 ] - [ 0.0002186700000000, 0.0000064100000000, -0.0001071200000000 ] - [ -0.0001565300000000, -0.0004096600000000, -0.0000034300000000 ] - [ -0.0001887900000000, -0.0001231400000000, 0.0001157500000000 ] - [ 0.0002533800000000, 0.0001116700000000, 0.0000094900000000 ] - [ 0.0002457500000000, 0.0001237700000000, 0.0000236900000000 ] - [ 0.0001179000000000, -0.0004022100000000, -0.0002845100000000 ] - [ -0.0001136900000000, 0.0000593400000000, -0.0000091200000000 ] - [ -0.0065691900000000, 0.0000878300000000, 0.0024889600000000 ] - [ 0.0002546800000000, -0.0000394000000000, -0.0000694500000000 ] - [ 0.0014002000000000, 0.0004109900000000, 0.0000197600000000 ] - [ -0.0001427300000000, 0.0000339800000000, 0.0001654000000000 ] - [ 0.0001065300000000, 0.0002385100000000, -0.0002461100000000 ] - [ -0.0072510600000000, -0.0011230100000000, 0.0031804000000000 ] - [ -0.0000905200000000, -0.0000583400000000, 0.0002911800000000 ] - [ 0.0002525100000000, -0.0002416700000000, -0.0001471700000000 ] - [ -0.0001000300000000, -0.0002120400000000, 0.0001545400000000 ] - [ 0.0002521600000000, -0.0001726300000000, -0.0000792400000000 ] - [ 0.0000942200000000, -0.0000341300000000, 0.0002222500000000 ] - [ 0.0002258900000000, 0.0002829500000000, 0.0000521300000000 ] - [ -0.0000971700000000, -0.0000937000000000, -0.0000287800000000 ] - [ 0.0001959200000000, 0.0004362500000000, -0.0002074300000000 ] - [ -0.0000112800000000, 0.0000026700000000, -0.0001876800000000 ] - [ 0.0001444000000000, -0.0000971300000000, -0.0000638300000000 ] - [ -0.0006913600000000, -0.0000413600000000, -0.0001266800000000 ] - [ -0.0053639500000000, 0.0038659000000000, 0.0009310000000000 ] - [ 0.0006055400000000, -0.0001972100000000, -0.0011380400000000 ] - [ -0.0000651100000000, -0.0003158600000000, 0.0002929400000000 ] - [ -0.0002795500000000, 0.0003458900000000, -0.0004409500000000 ] - [ -0.0000608700000000, -0.0001824600000000, -0.0003469800000000 ] - [ 0.0009292500000000, -0.0000257300000000, -0.0012706400000000 ] - [ 0.0001181900000000, 0.0000218700000000, 0.0001003700000000 ] - [ 0.0008103900000000, -0.0000556300000000, 0.0000148200000000 ] - [ -0.0002322800000000, 0.0001614500000000, 0.0000787700000000 ] - [ -0.0001503800000000, 0.0000155900000000, -0.0001590400000000 ] - [ -0.0001043800000000, 0.0001797400000000, 0.0000950300000000 ] - [ 0.0002248300000000, -0.0002326700000000, 0.0003435400000000 ] - [ -0.0002504100000000, -0.0002120800000000, 0.0000615200000000 ] - [ 0.0004415700000000, 0.0000883700000000, 0.0001295400000000 ] - [ 0.0221409700000000, -0.0044032200000000, -0.0038922200000000 ] - [ 0.0002515200000000, -0.0000506300000000, -0.0000375500000000 ] - [ 0.0000926300000000, 0.0002153000000000, 0.0002379200000000 ] - [ -0.0000608600000000, -0.0004222600000000, -0.0002032100000000 ] - [ -0.0000947100000000, 0.0000666500000000, -0.0001621900000000 ] - [ -0.0002323200000000, 0.0000378300000000, 0.0001836700000000 ] - [ -0.0018548300000000, 0.0006915800000000, 0.0010629900000000 ] - [ 0.0002046500000000, 0.0001802500000000, 0.0002227100000000 ] - [ 0.0003311400000000, -0.0000456500000000, 0.0001723400000000 ] - [ -0.0000808500000000, -0.0000497600000000, -0.0001699200000000 ] - [ -0.0001738400000000, 0.0000971100000000, -0.0001203400000000 ] - [ 0.0000119400000000, 0.0001839400000000, -0.0000498400000000 ] - [ -0.0002258600000000, -0.0000516000000000, -0.0002149700000000 ] - [ 0.0000268400000000, -0.0001522800000000, -0.0001790600000000 ] - [ -0.0008334400000000, -0.0003068000000000, 0.0003693100000000 ] - [ 0.0003866100000000, -0.0002866900000000, 0.0002298300000000 ] - [ -0.0000982700000000, 0.0001165500000000, 0.0002155000000000 ] - [ -0.0001760700000000, -0.0013354300000000, 0.0001528800000000 ] - [ -0.0000484400000000, -0.0002234600000000, -0.0003035400000000 ] - [ 0.0000220500000000, -0.0004351400000000, -0.0001091600000000 ] - [ -0.0010478500000000, -0.0003503000000000, -0.0001647300000000 ] - [ -0.0001060800000000, -0.0001765900000000, 0.0001675300000000 ] - [ -0.0011042500000000, 0.0037289400000000, 0.0015800500000000 ] - [ -0.0006433100000000, 0.0001386600000000, 0.0000779300000000 ] - [ 0.0000293000000000, 0.0002564800000000, -0.0003520000000000 ] - [ 0.0000464000000000, 0.0000954300000000, -0.0001929700000000 ] - [ 0.0000207100000000, -0.0004145200000000, 0.0005407200000000 ] - [ 0.0005916900000000, 0.0006482600000000, 0.0002530400000000 ] - [ 0.0002117800000000, 0.0006556200000000, -0.0002669600000000 ] - [ 0.0007145400000000, -0.0016845200000000, -0.0009506500000000 ] - [ -0.0010457200000000, 0.0002130400000000, 0.0011492100000000 ] - [ 0.0001457800000000, -0.0002740400000000, 0.0000162900000000 ] - [ 0.0000020500000000, -0.0001116100000000, 0.0002007500000000 ] - [ 0.0000243100000000, 0.0002109800000000, 0.0003169000000000 ] - [ -0.0005032200000000, -0.0001651900000000, -0.0001040000000000 ] - [ 0.0002061300000000, -0.0001158900000000, -0.0002587400000000 ] - [ -0.0001199100000000, 0.0003089900000000, 0.0000745100000000 ] - [ 0.0000765800000000, -0.0002261600000000, 0.0004069300000000 ] - [ 0.0001544600000000, 0.0002133800000000, -0.0001807700000000 ] - [ 0.0001102800000000, 0.0004289900000000, -0.0002376700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003495300000000, 0.0008968800000000, 0.0010719700000000 ] - [ 0.0001096300000000, 0.0000355400000000, 0.0000271900000000 ] - [ -0.0000871300000000, -0.0004731600000000, 0.0001235700000000 ] - [ -0.0008626800000000, 0.0002458000000000, -0.0010940200000000 ] - [ -0.0000325700000000, 0.0000402400000000, 0.0000759900000000 ] - [ -0.0003126200000000, -0.0000986100000000, 0.0000479800000000 ] - [ -0.0001139200000000, 0.0001220600000000, -0.0001778600000000 ] - [ -0.0001812300000000, -0.0000834400000000, 0.0001312600000000 ] - [ -0.0001140700000000, 0.0002430700000000, 0.0000943900000000 ] - [ 0.0002658600000000, -0.0001134000000000, 0.0000537400000000 ] - [ 0.0001770000000000, 0.0000003300000000, -0.0001426600000000 ] - [ 0.0001535300000000, -0.0007155800000000, -0.0002763400000000 ] - [ -0.0002129400000000, -0.0001123400000000, 0.0000660900000000 ] - [ 0.0003981900000000, -0.0000060500000000, 0.0001766100000000 ] - [ 0.0002065400000000, 0.0001074700000000, 0.0000616400000000 ] - [ 0.0003341000000000, -0.0004540700000000, -0.0002015400000000 ] - [ -0.0005040700000000, 0.0001161700000000, 0.0001175500000000 ] - [ -0.0007586400000000, 0.0005185400000000, 0.0003269100000000 ] - [ 0.0002191500000000, -0.0000332600000000, -0.0000888700000000 ] - [ -0.0002449200000000, 0.0058618600000000, -0.0005946900000000 ] - [ -0.0003041700000000, 0.0002300800000000, -0.0002131600000000 ] - [ 0.0000061700000000, 0.0002168500000000, -0.0003596200000000 ] - [ 0.0014996100000000, 0.0006734200000000, -0.0006481900000000 ] - [ 0.0000069800000000, 0.0001876100000000, 0.0002271200000000 ] - [ 0.0001795300000000, -0.0003500800000000, -0.0002089600000000 ] - [ -0.0000774100000000, -0.0001019200000000, 0.0005208700000000 ] - [ 0.0002415900000000, -0.0002010500000000, -0.0000017700000000 ] - [ -0.0005446000000000, -0.0001347300000000, 0.0000811200000000 ] - [ 0.0000619000000000, -0.0000270500000000, -0.0002101400000000 ] - [ -0.0000124000000000, -0.0000200800000000, 0.0001023100000000 ] - [ 0.0002494000000000, -0.0004554400000000, -0.0002494500000000 ] - [ 0.0000292900000000, -0.0000270500000000, -0.0000903900000000 ] - [ -0.0000527700000000, -0.0006046100000000, 0.0003218500000000 ] - [ -0.0009048600000000, 0.0003189300000000, -0.0003078400000000 ] - [ -0.0039353100000000, 0.0576415100000000, 0.0182385400000000 ] - [ -0.0000010600000000, -0.0003313100000000, -0.0004042200000000 ] - [ 0.0005929300000000, -0.0002621200000000, 0.0004412200000000 ] - [ 0.0004635300000000, 0.0008050800000000, -0.0003528400000000 ] - [ -0.0005805400000000, -0.0000143700000000, -0.0002532000000000 ] - [ -0.0001643300000000, 0.0002607000000000, 0.0002621100000000 ] - [ 0.0000185700000000, 0.0001580000000000, -0.0000281200000000 ] - [ 0.0004664000000000, -0.0001038800000000, -0.0000800200000000 ] - [ -0.0000858300000000, 0.0000330300000000, 0.0013433100000000 ] - [ -0.0002481000000000, -0.0000079500000000, -0.0002417700000000 ] - [ -0.0007398300000000, 0.0029972800000000, 0.0044899800000000 ] - [ 0.0000798900000000, -0.0004729000000000, 0.0006317800000000 ] - [ 0.0011508900000000, -0.0008405900000000, 0.0013191400000000 ] - [ 0.0003540300000000, -0.0003189200000000, -0.0000373500000000 ] - [ 0.0043519800000000, -0.0787614700000000, -0.0215652100000000 ] - [ -0.0010668600000000, 0.0001537100000000, 0.0002269300000000 ] - [ 0.0002604800000000, 0.0000954100000000, 0.0004104800000000 ] - [ 0.0002627600000000, -0.0002425000000000, -0.0001702200000000 ] - [ 0.0001661200000000, 0.0001273200000000, -0.0002277700000000 ] - [ -0.0001721200000000, 0.0000255800000000, 0.0001186600000000 ] - [ -0.0001719700000000, 0.0000709300000000, -0.0001816400000000 ] - [ 0.0001213100000000, 0.0002188100000000, -0.0000575200000000 ] - [ 0.0004313400000000, 0.0003717800000000, 0.0000360200000000 ] - [ -0.0004761400000000, 0.0002142900000000, -0.0012724400000000 ] - [ -0.0001233600000000, 0.0000264600000000, -0.0000890100000000 ] - [ -0.0000518100000000, 0.0000244800000000, 0.0001480900000000 ] - [ 0.0003743900000000, 0.0005777700000000, 0.0002682200000000 ] - [ 0.0000787800000000, 0.0000661400000000, -0.0004031200000000 ] - [ -0.0000669400000000, -0.0002831800000000, 0.0002559800000000 ] - [ -0.0002828700000000, 0.0024094600000000, -0.0010513700000000 ] - [ -0.0000612900000000, 0.0002202200000000, 0.0002508300000000 ] - [ 0.0011263300000000, 0.0001196200000000, -0.0009201900000000 ] - [ -0.0001274000000000, -0.0001260100000000, -0.0005077900000000 ] - [ 0.0007379800000000, 0.0017540300000000, -0.0012763300000000 ] - [ 0.0000285900000000, -0.0001340000000000, -0.0000178600000000 ] - [ -0.0000058800000000, -0.0002126300000000, 0.0001537300000000 ] - [ -0.0016641900000000, 0.0019830100000000, 0.0011111300000000 ] - [ -0.0002154700000000, -0.0001957700000000, -0.0001053400000000 ] - [ -0.0002421000000000, 0.0004609000000000, -0.0002655800000000 ] - [ 0.0000414100000000, -0.0001633600000000, -0.0001208400000000 ] - [ -0.0000411200000000, -0.0005945100000000, 0.0007255100000000 ] - [ 0.0004475500000000, 0.0021558200000000, -0.0003283200000000 ] - [ -0.0000182000000000, 0.0017335100000000, -0.0011123100000000 ] - [ 0.0004697000000000, 0.0016761500000000, 0.0016007900000000 ] - [ -0.0002069700000000, -0.0001452800000000, 0.0003970600000000 ] - [ 0.0000363400000000, -0.0000864600000000, -0.0002126900000000 ] - [ -0.0000574300000000, 0.0002219500000000, 0.0001506900000000 ] - [ 0.0000558100000000, 0.0003018200000000, 0.0003038400000000 ] - [ -0.0004699200000000, -0.0002366900000000, -0.0000822300000000 ] - [ 0.0001179200000000, 0.0000038500000000, -0.0000683200000000 ] - [ -0.0000098500000000, 0.0002588700000000, 0.0000188200000000 ] - [ 0.0000878200000000, -0.0002274600000000, 0.0002991900000000 ] - [ -0.0003752100000000, 0.0002265800000000, -0.0004669600000000 ] - [ 0.0001722800000000, 0.0005644000000000, -0.0000641500000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005194300000000, -0.0004039200000000, -0.0005137500000000 ] - [ 0.0000153400000000, 0.0000971000000000, -0.0000025500000000 ] - [ 0.0005388400000000, 0.0003084100000000, -0.0001399900000000 ] - [ 0.0004448600000000, -0.0002545600000000, 0.0013454200000000 ] - [ -0.0000208700000000, 0.0000093200000000, 0.0001680900000000 ] - [ -0.0001589200000000, -0.0001890400000000, -0.0000644500000000 ] - [ -0.0003079900000000, -0.0001188200000000, 0.0004062000000000 ] - [ 0.0003064400000000, -0.0000488200000000, -0.0001088900000000 ] - [ -0.0003036600000000, 0.0001933700000000, 0.0001786200000000 ] - [ 0.0001725800000000, -0.0000937900000000, -0.0000352600000000 ] - [ 0.0002445300000000, 0.0000025100000000, -0.0000853100000000 ] - [ -0.0000962700000000, 0.0007698000000000, 0.0000309700000000 ] - [ -0.0002255700000000, -0.0000961700000000, -0.0000822700000000 ] - [ 0.0000555100000000, 0.0001683200000000, -0.0001943900000000 ] - [ -0.0002613300000000, -0.0001572300000000, 0.0001822600000000 ] - [ -0.0001685400000000, -0.0000404000000000, -0.0003601600000000 ] - [ 0.0000645600000000, 0.0000911600000000, -0.0001344800000000 ] - [ 0.0006511500000000, -0.0003878600000000, -0.0003548600000000 ] - [ 0.0002026900000000, 0.0000309500000000, -0.0001389300000000 ] - [ 0.0007062700000000, -0.0059648100000000, 0.0006135000000000 ] - [ -0.0001497800000000, -0.0000642200000000, 0.0002293600000000 ] - [ 0.0001570000000000, 0.0002767500000000, -0.0001961000000000 ] - [ -0.0019700700000000, -0.0008448500000000, 0.0006745500000000 ] - [ -0.0004770000000000, 0.0001033000000000, -0.0002449400000000 ] - [ 0.0002384400000000, -0.0000875300000000, -0.0000642900000000 ] - [ -0.0000861500000000, -0.0003897800000000, 0.0000358100000000 ] - [ 0.0002298500000000, -0.0000874100000000, 0.0000185500000000 ] - [ 0.0001255700000000, -0.0003005400000000, 0.0001969200000000 ] - [ 0.0004108000000000, 0.0003138600000000, 0.0002277100000000 ] - [ -0.0001110200000000, -0.0001116100000000, -0.0001247200000000 ] - [ 0.0001704400000000, 0.0008954500000000, -0.0000301600000000 ] - [ 0.0000234500000000, -0.0000237600000000, -0.0001537900000000 ] - [ 0.0000698700000000, 0.0006302500000000, -0.0003951100000000 ] - [ 0.0000877200000000, -0.0003741700000000, 0.0001639700000000 ] - [ 0.0029111000000000, -0.0553715900000000, -0.0173270400000000 ] - [ -0.0004456000000000, 0.0002418900000000, -0.0000346000000000 ] - [ -0.0001264100000000, -0.0001092800000000, 0.0001087400000000 ] - [ -0.0009341800000000, -0.0004452500000000, -0.0001987800000000 ] - [ 0.0001174900000000, -0.0003502400000000, -0.0003055000000000 ] - [ 0.0001403500000000, -0.0002793600000000, -0.0001893600000000 ] - [ -0.0000355400000000, -0.0001362200000000, 0.0000941500000000 ] - [ 0.0003467400000000, 0.0000411800000000, 0.0002236500000000 ] - [ 0.0005363500000000, 0.0000433700000000, -0.0009074800000000 ] - [ -0.0002029800000000, 0.0000904000000000, -0.0001948900000000 ] - [ 0.0012106500000000, -0.0025382400000000, -0.0039278800000000 ] - [ 0.0003708700000000, 0.0003929200000000, -0.0001890500000000 ] - [ -0.0011215400000000, 0.0008190300000000, -0.0013837600000000 ] - [ 0.0004609300000000, 0.0003810200000000, 0.0001817600000000 ] - [ -0.0042211100000000, 0.0766535200000000, 0.0200807200000000 ] - [ 0.0011028300000000, -0.0004146600000000, -0.0003745300000000 ] - [ 0.0000853200000000, 0.0002474200000000, 0.0002122100000000 ] - [ 0.0000301600000000, -0.0006180400000000, -0.0002398100000000 ] - [ 0.0003168300000000, -0.0000021100000000, -0.0001656800000000 ] - [ -0.0003115800000000, 0.0001009700000000, 0.0002797600000000 ] - [ 0.0002291100000000, 0.0001844200000000, 0.0005244300000000 ] - [ 0.0001609300000000, -0.0000604000000000, 0.0003638600000000 ] - [ 0.0004335400000000, -0.0006752100000000, 0.0001387600000000 ] - [ 0.0001232700000000, -0.0005674800000000, 0.0006408500000000 ] - [ -0.0001589900000000, 0.0001304100000000, -0.0002143900000000 ] - [ 0.0000273000000000, 0.0002409700000000, -0.0000021900000000 ] - [ -0.0003538700000000, -0.0003127500000000, -0.0004128600000000 ] - [ -0.0001296600000000, -0.0003249800000000, 0.0000546800000000 ] - [ 0.0002144000000000, -0.0002466200000000, 0.0004307400000000 ] - [ 0.0005609000000000, -0.0025186800000000, 0.0013418100000000 ] - [ 0.0001087300000000, -0.0001570000000000, 0.0001178000000000 ] - [ -0.0011348200000000, -0.0003869300000000, 0.0010580800000000 ] - [ -0.0000219000000000, -0.0004062700000000, -0.0001815800000000 ] - [ -0.0008986200000000, -0.0012321200000000, 0.0005973100000000 ] - [ -0.0003059800000000, -0.0000223200000000, -0.0002857700000000 ] - [ 0.0000561600000000, -0.0000474600000000, 0.0001950700000000 ] - [ 0.0011638100000000, -0.0020787700000000, -0.0007001300000000 ] - [ -0.0006470500000000, 0.0004935500000000, -0.0000688000000000 ] - [ 0.0001903600000000, -0.0002034700000000, -0.0000820100000000 ] - [ -0.0000871700000000, 0.0002245400000000, -0.0002478900000000 ] - [ -0.0002501500000000, -0.0002647500000000, -0.0003040000000000 ] - [ 0.0004102000000000, -0.0018606400000000, 0.0005005300000000 ] - [ 0.0001251200000000, -0.0011538600000000, 0.0009903800000000 ] - [ -0.0007556100000000, -0.0007949600000000, -0.0011679800000000 ] - [ 0.0000979700000000, -0.0004378200000000, -0.0002588400000000 ] - [ 0.0000676100000000, -0.0004975400000000, 0.0000737200000000 ] - [ 0.0001036500000000, -0.0002843900000000, 0.0002175600000000 ] - [ 0.0000934800000000, 0.0002288100000000, 0.0003825400000000 ] - [ -0.0003926900000000, -0.0000630200000000, -0.0000944000000000 ] - [ 0.0003671400000000, -0.0001293800000000, -0.0003311100000000 ] - [ -0.0000931600000000, 0.0003255100000000, 0.0001171100000000 ] - [ 0.0002604400000000, -0.0001145100000000, 0.0003225800000000 ] - [ 0.0000252700000000, 0.0001189800000000, -0.0001563800000000 ] - [ 0.0001203100000000, 0.0002961100000000, -0.0003496500000000 ]- atom: 49 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ 0.0011658100000000, 0.0003698200000000, 0.0034762700000000 ] - [ 0.0000407300000000, 0.0000478900000000, -0.0000083100000000 ] - [ 0.0002884300000000, -0.0000065400000000, 0.0000386800000000 ] - [ 0.0020083600000000, -0.0003477900000000, 0.0080801100000000 ] - [ -0.0000105600000000, 0.0000438200000000, 0.0000673300000000 ] - [ -0.0001487000000000, -0.0001716000000000, -0.0001371500000000 ] - [ 0.0000643100000000, -0.0000653100000000, -0.0003045600000000 ] - [ 0.0000159000000000, -0.0000806500000000, 0.0000611600000000 ] - [ -0.0000443400000000, 0.0002229200000000, 0.0000019000000000 ] - [ 0.0002882200000000, -0.0000887900000000, -0.0001572700000000 ] - [ 0.0002312700000000, -0.0000087700000000, -0.0001926300000000 ] - [ -0.0001176500000000, -0.0003815400000000, 0.0000376000000000 ] - [ -0.0001954100000000, -0.0001016000000000, -0.0000216300000000 ] - [ 0.0002310900000000, -0.0000379400000000, -0.0000345800000000 ] - [ 0.0001722900000000, 0.0000439700000000, 0.0001063400000000 ] - [ 0.0000916600000000, -0.0002844700000000, -0.0001513500000000 ] - [ -0.0001570400000000, 0.0001135900000000, -0.0000480200000000 ] - [ -0.0029900700000000, 0.0001759700000000, 0.0014914900000000 ] - [ 0.0001682200000000, 0.0000067300000000, -0.0000053800000000 ] - [ 0.0003261000000000, -0.0010427900000000, -0.0006055000000000 ] - [ -0.0003323400000000, 0.0002382900000000, -0.0003791800000000 ] - [ 0.0000863500000000, 0.0002355400000000, -0.0004842400000000 ] - [ -0.0034735500000000, -0.0004330900000000, 0.0017813900000000 ] - [ -0.0002282700000000, 0.0002242300000000, 0.0003021900000000 ] - [ 0.0002275100000000, -0.0002929300000000, -0.0002368800000000 ] - [ 0.0000198300000000, -0.0001059500000000, 0.0000865500000000 ] - [ 0.0002649900000000, -0.0001546900000000, -0.0000853400000000 ] - [ -0.0005333000000000, -0.0001926000000000, 0.0004685300000000 ] - [ 0.0000932700000000, 0.0000725400000000, 0.0000293400000000 ] - [ -0.0000968200000000, -0.0000704700000000, -0.0001092600000000 ] - [ 0.0003096300000000, -0.0003991900000000, 0.0001085800000000 ] - [ 0.0000378300000000, -0.0000306700000000, -0.0002279200000000 ] - [ 0.0001157400000000, -0.0002258600000000, -0.0002190800000000 ] - [ -0.0008911000000000, 0.0002094900000000, -0.0008474600000000 ] - [ -0.0016658400000000, 0.0188462800000000, 0.0122553600000000 ] - [ -0.0004913600000000, -0.0000798900000000, 0.0001945700000000 ] - [ -0.0003375100000000, -0.0003849300000000, -0.0001381600000000 ] - [ 0.0002043800000000, 0.0002692200000000, -0.0001419900000000 ] - [ -0.0008013800000000, -0.0000752500000000, -0.0002405200000000 ] - [ -0.0003090600000000, 0.0001961300000000, 0.0007482600000000 ] - [ -0.0000525700000000, 0.0001352600000000, -0.0001354300000000 ] - [ 0.0005422100000000, -0.0000369600000000, 0.0000176300000000 ] - [ 0.0004458000000000, 0.0006986000000000, 0.0006395800000000 ] - [ -0.0001775800000000, 0.0000734900000000, -0.0004097200000000 ] - [ 0.0002415400000000, 0.0000430400000000, 0.0001607400000000 ] - [ 0.0005307000000000, 0.0006163500000000, -0.0007232500000000 ] - [ -0.0004979800000000, -0.0002748500000000, 0.0004676400000000 ] - [ 0.0003221500000000, -0.0000016800000000, -0.0000585300000000 ] - [ 0.0047333800000000, -0.0211916500000000, -0.0293076400000000 ] - [ -0.0005103900000000, -0.0000032600000000, 0.0000322800000000 ] - [ 0.0003254700000000, 0.0001451400000000, 0.0004563000000000 ] - [ 0.0002916300000000, -0.0002269300000000, -0.0003238300000000 ] - [ 0.0001223900000000, 0.0000178700000000, -0.0002787900000000 ] - [ -0.0001892400000000, 0.0000980100000000, 0.0007229300000000 ] - [ 0.0003578000000000, -0.0003155400000000, -0.0008276800000000 ] - [ 0.0002139200000000, 0.0001904700000000, 0.0002344600000000 ] - [ 0.0004172100000000, -0.0000569600000000, 0.0002470400000000 ] - [ -0.0005895900000000, -0.0005682100000000, -0.0002645300000000 ] - [ -0.0000766600000000, -0.0000435900000000, -0.0000196000000000 ] - [ -0.0000134700000000, 0.0000627700000000, 0.0004539500000000 ] - [ 0.0004796700000000, 0.0005553300000000, 0.0004605500000000 ] - [ -0.0001687700000000, -0.0001445900000000, -0.0000049800000000 ] - [ 0.0000623400000000, -0.0002365900000000, 0.0002308300000000 ] - [ 0.0001977600000000, -0.0008607900000000, 0.0002774500000000 ] - [ -0.0000156500000000, 0.0001057700000000, 0.0002133000000000 ] - [ -0.0002519700000000, -0.0008355800000000, -0.0001914600000000 ] - [ 0.0000215200000000, -0.0003071500000000, -0.0001753100000000 ] - [ 0.0000657200000000, 0.0001545900000000, -0.0006315000000000 ] - [ 0.0000424900000000, 0.0000275300000000, -0.0002351400000000 ] - [ 0.0000020300000000, -0.0001774900000000, 0.0002565200000000 ] - [ -0.0015821000000000, 0.0022714100000000, 0.0001355300000000 ] - [ -0.0004622400000000, 0.0000837500000000, -0.0002701300000000 ] - [ 0.0001600600000000, 0.0002637000000000, -0.0004277600000000 ] - [ -0.0000067300000000, -0.0000265400000000, 0.0001748300000000 ] - [ -0.0002418000000000, -0.0003640700000000, 0.0018528900000000 ] - [ 0.0005195400000000, 0.0000189000000000, -0.0000934800000000 ] - [ 0.0000388200000000, -0.0002741300000000, -0.0002824700000000 ] - [ 0.0007606000000000, 0.0043875600000000, 0.0016013500000000 ] - [ 0.0002770100000000, -0.0004743500000000, -0.0002240300000000 ] - [ -0.0000517700000000, -0.0003886000000000, 0.0001248000000000 ] - [ 0.0000049900000000, -0.0000047000000000, 0.0002166600000000 ] - [ 0.0001127500000000, 0.0002922700000000, 0.0004550500000000 ] - [ -0.0004234000000000, -0.0002003900000000, -0.0000085500000000 ] - [ 0.0001774200000000, -0.0000701800000000, -0.0001081700000000 ] - [ -0.0001367400000000, 0.0002733700000000, 0.0001943800000000 ] - [ 0.0001380500000000, -0.0001132900000000, 0.0001698900000000 ] - [ 0.0000791200000000, -0.0000842400000000, 0.0006927100000000 ] - [ 0.0001368600000000, 0.0005139900000000, -0.0000465300000000 ]- atom: 49 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0012496000000000, 0.0001119300000000, -0.0027706500000000 ] - [ 0.0000861000000000, 0.0000859500000000, 0.0000398900000000 ] - [ 0.0001658600000000, -0.0001566900000000, -0.0000565900000000 ] - [ -0.0025466600000000, 0.0003297600000000, -0.0081738200000000 ] - [ -0.0000413000000000, 0.0000056700000000, 0.0001784500000000 ] - [ -0.0003214200000000, -0.0001159100000000, 0.0001241400000000 ] - [ -0.0004831900000000, 0.0000677900000000, 0.0005312900000000 ] - [ 0.0001077800000000, -0.0000502600000000, -0.0000364300000000 ] - [ -0.0003735300000000, 0.0002126600000000, 0.0002741900000000 ] - [ 0.0001478100000000, -0.0001207500000000, 0.0001763800000000 ] - [ 0.0001883900000000, 0.0000135200000000, -0.0000345800000000 ] - [ 0.0001718500000000, 0.0004330000000000, -0.0002839300000000 ] - [ -0.0002398600000000, -0.0001094900000000, 0.0000028900000000 ] - [ 0.0002239400000000, 0.0002015200000000, 0.0000190400000000 ] - [ -0.0002265000000000, -0.0000953700000000, 0.0001388100000000 ] - [ 0.0000770600000000, -0.0002095700000000, -0.0004116300000000 ] - [ -0.0002794600000000, 0.0000951400000000, 0.0000293700000000 ] - [ 0.0028225000000000, -0.0000460100000000, -0.0015215100000000 ] - [ 0.0002509800000000, -0.0000103600000000, -0.0002215900000000 ] - [ 0.0001073600000000, 0.0012955700000000, 0.0005973000000000 ] - [ -0.0001216400000000, -0.0000741600000000, 0.0003963800000000 ] - [ 0.0000763400000000, 0.0002579200000000, -0.0000722800000000 ] - [ 0.0030914500000000, 0.0002689000000000, -0.0017730600000000 ] - [ -0.0002432700000000, 0.0000643600000000, -0.0003160300000000 ] - [ 0.0001903000000000, -0.0001426500000000, -0.0000384000000000 ] - [ -0.0001834100000000, -0.0003875000000000, 0.0004706900000000 ] - [ 0.0002063900000000, -0.0001331700000000, 0.0001005900000000 ] - [ 0.0001156300000000, -0.0002421000000000, -0.0001854500000000 ] - [ 0.0003780200000000, 0.0002151000000000, -0.0000147200000000 ] - [ -0.0000300700000000, -0.0000628500000000, 0.0000759800000000 ] - [ 0.0001099100000000, 0.0008335700000000, -0.0003907500000000 ] - [ 0.0000170500000000, -0.0000192400000000, -0.0000171700000000 ] - [ -0.0000937500000000, 0.0002548800000000, 0.0001519500000000 ] - [ 0.0000791900000000, -0.0002675700000000, 0.0007061900000000 ] - [ 0.0008352400000000, -0.0185556900000000, -0.0124658000000000 ] - [ 0.0000470700000000, -0.0000034400000000, -0.0006390800000000 ] - [ 0.0007901600000000, 0.0000229200000000, 0.0006971800000000 ] - [ -0.0006685300000000, 0.0000920100000000, -0.0004167900000000 ] - [ 0.0003429200000000, -0.0002931400000000, -0.0003185100000000 ] - [ 0.0002818700000000, -0.0002336400000000, -0.0006654400000000 ] - [ 0.0000333300000000, -0.0001121300000000, 0.0002015900000000 ] - [ 0.0002686300000000, -0.0000244600000000, 0.0001279900000000 ] - [ -0.0000055100000000, -0.0006106300000000, -0.0001905700000000 ] - [ -0.0002703800000000, 0.0000106800000000, -0.0000335900000000 ] - [ 0.0002179100000000, 0.0003111000000000, 0.0003845200000000 ] - [ -0.0000860200000000, -0.0006996300000000, 0.0011679400000000 ] - [ 0.0005185600000000, 0.0002478700000000, -0.0005465500000000 ] - [ 0.0004907600000000, 0.0000660400000000, 0.0002050000000000 ] - [ -0.0047718700000000, 0.0208490100000000, 0.0292244300000000 ] - [ 0.0005416300000000, -0.0002598500000000, -0.0001813500000000 ] - [ 0.0000162700000000, 0.0001920700000000, 0.0001664200000000 ] - [ -0.0000008800000000, -0.0006333600000000, -0.0000912600000000 ] - [ 0.0003675200000000, 0.0001077500000000, -0.0001170300000000 ] - [ -0.0002974700000000, 0.0000278800000000, -0.0003261400000000 ] - [ -0.0003011800000000, 0.0005773900000000, 0.0011741700000000 ] - [ 0.0000681800000000, -0.0000326900000000, 0.0000674300000000 ] - [ 0.0004486100000000, -0.0002460400000000, -0.0000727700000000 ] - [ 0.0002516700000000, 0.0002279100000000, -0.0003569800000000 ] - [ -0.0002058200000000, 0.0002034300000000, -0.0002813000000000 ] - [ -0.0000084100000000, 0.0002011500000000, -0.0003078900000000 ] - [ -0.0004628000000000, -0.0002918400000000, -0.0006070500000000 ] - [ 0.0001170600000000, -0.0001158600000000, -0.0003446000000000 ] - [ 0.0000842800000000, -0.0002944300000000, 0.0004564300000000 ] - [ 0.0000851100000000, 0.0007000700000000, 0.0000275600000000 ] - [ 0.0000618900000000, -0.0000399100000000, 0.0001563400000000 ] - [ 0.0002335500000000, 0.0005726600000000, 0.0003411000000000 ] - [ -0.0001708600000000, -0.0002239400000000, -0.0005133200000000 ] - [ -0.0002101500000000, 0.0003817400000000, -0.0000615500000000 ] - [ -0.0003226100000000, -0.0001885200000000, -0.0000670200000000 ] - [ 0.0000503000000000, -0.0000825700000000, 0.0000909600000000 ] - [ 0.0010868400000000, -0.0023860600000000, 0.0002550100000000 ] - [ -0.0004032800000000, 0.0002189800000000, 0.0000949000000000 ] - [ -0.0002120400000000, -0.0000036400000000, 0.0000811300000000 ] - [ -0.0000385400000000, 0.0000913500000000, -0.0005448000000000 ] - [ -0.0000484500000000, -0.0004973800000000, -0.0014421000000000 ] - [ 0.0003426500000000, 0.0002817100000000, 0.0002652300000000 ] - [ 0.0000698900000000, 0.0008650600000000, 0.0001380800000000 ] - [ -0.0010347400000000, -0.0034928700000000, -0.0011757900000000 ] - [ -0.0003850600000000, -0.0001096900000000, 0.0003638500000000 ] - [ 0.0001594400000000, -0.0001956000000000, -0.0002613400000000 ] - [ 0.0000408800000000, -0.0000601300000000, 0.0001526000000000 ] - [ 0.0000342300000000, 0.0002392800000000, 0.0002308200000000 ] - [ -0.0004399800000000, -0.0001021900000000, -0.0001692700000000 ] - [ 0.0003092400000000, -0.0000557600000000, -0.0002914600000000 ] - [ 0.0000318900000000, 0.0003111900000000, -0.0000581400000000 ] - [ 0.0002062700000000, -0.0002243500000000, 0.0004523400000000 ] - [ -0.0004233900000000, 0.0004203600000000, -0.0013012900000000 ] - [ 0.0001538300000000, 0.0003462700000000, -0.0003692100000000 ]- atom: 50 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ 0.0000753100000000, 0.0003676400000000, 0.0004493800000000 ] - [ -0.0002208600000000, 0.0003030400000000, 0.0000031900000000 ] - [ 0.0011593100000000, -0.0019795400000000, -0.0002402000000000 ] - [ -0.0006049500000000, -0.0000109200000000, 0.0000573600000000 ] - [ -0.0002940700000000, -0.0001465900000000, 0.0002719300000000 ] - [ -0.0003667700000000, -0.0001497000000000, -0.0000329300000000 ] - [ -0.0002781900000000, -0.0000027800000000, 0.0000929400000000 ] - [ -0.0000415900000000, -0.0000006300000000, -0.0001614500000000 ] - [ 0.0000430000000000, 0.0001385000000000, 0.0002605700000000 ] - [ 0.0002146700000000, -0.0000171800000000, -0.0000588000000000 ] - [ 0.0002077900000000, -0.0000031700000000, 0.0002642400000000 ] - [ -0.0001349700000000, 0.0001223400000000, -0.0001092200000000 ] - [ -0.0001292200000000, -0.0000900700000000, -0.0000215100000000 ] - [ 0.0004642600000000, 0.0000507000000000, 0.0002817000000000 ] - [ -0.0001467900000000, -0.0000756300000000, 0.0001024200000000 ] - [ 0.0020937700000000, -0.0005658000000000, 0.0027510400000000 ] - [ -0.0000477200000000, 0.0002301700000000, -0.0000402800000000 ] - [ -0.0003479000000000, -0.0000346100000000, -0.0000727600000000 ] - [ 0.0001072100000000, 0.0001574400000000, -0.0003261900000000 ] - [ 0.0012373000000000, -0.0000124300000000, -0.0021462200000000 ] - [ -0.0000813100000000, 0.0001051800000000, 0.0000482400000000 ] - [ 0.0003191400000000, 0.0003668100000000, -0.0001495800000000 ] - [ 0.0003398200000000, 0.0009724300000000, -0.0000529300000000 ] - [ -0.0004072000000000, 0.0001397500000000, -0.0001045700000000 ] - [ 0.0010081600000000, 0.0002339900000000, 0.0026219000000000 ] - [ 0.0000588800000000, -0.0002353300000000, 0.0003301200000000 ] - [ 0.0001339800000000, -0.0001515300000000, 0.0000032300000000 ] - [ -0.0000753500000000, -0.0002499700000000, 0.0001639900000000 ] - [ -0.0001002900000000, 0.0001386200000000, 0.0000049200000000 ] - [ -0.0002440100000000, -0.0000561500000000, -0.0000035300000000 ] - [ 0.0003046800000000, 0.0001081500000000, -0.0000560100000000 ] - [ -0.0004423300000000, -0.0000392200000000, 0.0001067000000000 ] - [ -0.0002777000000000, 0.0000236000000000, 0.0001340400000000 ] - [ -0.0014500400000000, -0.0004881800000000, -0.0003251400000000 ] - [ -0.0000632600000000, 0.0010043300000000, 0.0005460000000000 ] - [ 0.0001788000000000, -0.0013474900000000, -0.0011125800000000 ] - [ 0.0006204700000000, -0.0002699300000000, 0.0002160600000000 ] - [ 0.0665037300000000, 0.0100820800000000, -0.0175934800000000 ] - [ 0.0000177700000000, -0.0002710300000000, -0.0001927400000000 ] - [ -0.0005718600000000, -0.0001350700000000, -0.0003539400000000 ] - [ -0.0001693100000000, -0.0001125400000000, 0.0001026800000000 ] - [ 0.0004054200000000, 0.0001014400000000, 0.0001759000000000 ] - [ -0.0006832400000000, 0.0000275000000000, -0.0001558200000000 ] - [ -0.0000530500000000, 0.0000990100000000, -0.0000783800000000 ] - [ 0.0008934200000000, -0.0003301200000000, -0.0002989200000000 ] - [ -0.0001875300000000, 0.0000418200000000, 0.0002707100000000 ] - [ -0.0007382200000000, 0.0005627300000000, -0.0003529900000000 ] - [ 0.0028526600000000, 0.0030577900000000, 0.0026143700000000 ] - [ -0.0002676100000000, -0.0011160100000000, -0.0007244400000000 ] - [ -0.0805187400000000, -0.0129007700000000, 0.0138677400000000 ] - [ 0.0000204300000000, 0.0001365400000000, 0.0001590500000000 ] - [ -0.0000979300000000, -0.0005398500000000, -0.0001942500000000 ] - [ 0.0002200300000000, 0.0000759200000000, -0.0001659100000000 ] - [ 0.0000033800000000, 0.0001893000000000, 0.0001503900000000 ] - [ 0.0003549400000000, 0.0003338000000000, 0.0001830600000000 ] - [ 0.0002159500000000, 0.0000868700000000, 0.0001167100000000 ] - [ 0.0005327600000000, -0.0001455600000000, 0.0000100000000000 ] - [ -0.0001173400000000, -0.0000767300000000, -0.0002489400000000 ] - [ -0.0001624100000000, 0.0001278800000000, -0.0002051100000000 ] - [ -0.0001714700000000, 0.0001650600000000, 0.0000287700000000 ] - [ -0.0002073300000000, 0.0001208500000000, -0.0001737600000000 ] - [ 0.0003937900000000, -0.0001527400000000, -0.0004142500000000 ] - [ 0.0000311800000000, -0.0002326100000000, 0.0005574400000000 ] - [ 0.0005475000000000, 0.0006404500000000, 0.0004885400000000 ] - [ -0.0000014900000000, -0.0000096300000000, 0.0001751200000000 ] - [ -0.0003108500000000, -0.0001296800000000, 0.0001672500000000 ] - [ 0.0002460400000000, -0.0003056500000000, -0.0002842600000000 ] - [ 0.0003992500000000, 0.0004012300000000, -0.0000508100000000 ] - [ 0.0012505900000000, 0.0012861700000000, -0.0005177400000000 ] - [ 0.0001803400000000, -0.0000606300000000, 0.0001613100000000 ] - [ 0.0001105700000000, -0.0004505700000000, 0.0000510600000000 ] - [ -0.0004751800000000, 0.0003444100000000, -0.0000316600000000 ] - [ 0.0004788900000000, -0.0001627700000000, -0.0001846900000000 ] - [ 0.0002149600000000, -0.0003293200000000, 0.0002980300000000 ] - [ 0.0008654400000000, -0.0000991700000000, 0.0007657000000000 ] - [ 0.0013458400000000, 0.0002659100000000, 0.0003923100000000 ] - [ 0.0010223600000000, 0.0002809200000000, -0.0010185400000000 ] - [ -0.0002802800000000, 0.0003903000000000, 0.0001118900000000 ] - [ -0.0005168000000000, 0.0003077100000000, 0.0004530900000000 ] - [ 0.0006844700000000, 0.0002882700000000, 0.0003550600000000 ] - [ 0.0001869300000000, -0.0011770800000000, -0.0000481700000000 ] - [ 0.0002231400000000, 0.0002659600000000, 0.0001522800000000 ] - [ -0.0003940100000000, -0.0001094300000000, -0.0001679200000000 ] - [ 0.0007709200000000, -0.0006915600000000, -0.0019808400000000 ] - [ -0.0002152800000000, 0.0002759200000000, -0.0000870400000000 ] - [ 0.0030452100000000, 0.0004380200000000, 0.0011666800000000 ] - [ -0.0001633800000000, 0.0002204800000000, -0.0003128200000000 ] - [ -0.0005266600000000, 0.0003883800000000, -0.0008337500000000 ]- atom: 50 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0002422000000000, 0.0001253900000000, 0.0001121700000000 ] - [ 0.0003414700000000, -0.0001682400000000, 0.0000173400000000 ] - [ -0.0007126700000000, 0.0018163200000000, 0.0002226800000000 ] - [ 0.0001834500000000, 0.0000125700000000, 0.0001716300000000 ] - [ 0.0002344100000000, 0.0001955200000000, -0.0000273300000000 ] - [ -0.0001043800000000, -0.0001393000000000, 0.0000161100000000 ] - [ -0.0001439500000000, 0.0000049400000000, 0.0001347100000000 ] - [ 0.0001646300000000, -0.0001287800000000, 0.0001772100000000 ] - [ -0.0004562700000000, 0.0002976400000000, 0.0000183800000000 ] - [ 0.0002241500000000, -0.0001893700000000, 0.0000739300000000 ] - [ 0.0002161900000000, 0.0000061300000000, -0.0004900000000000 ] - [ 0.0001921800000000, -0.0000699700000000, -0.0001330200000000 ] - [ -0.0003083100000000, -0.0001185200000000, 0.0000060600000000 ] - [ -0.0000105200000000, 0.0001122200000000, -0.0002974700000000 ] - [ 0.0000905800000000, 0.0000228700000000, 0.0001408400000000 ] - [ -0.0019228900000000, 0.0000721300000000, -0.0032703600000000 ] - [ -0.0003900700000000, -0.0000266400000000, 0.0000224500000000 ] - [ 0.0002225100000000, 0.0001644900000000, 0.0000500700000000 ] - [ 0.0003150500000000, -0.0001578600000000, 0.0000973000000000 ] - [ -0.0008933100000000, 0.0002192000000000, 0.0022538100000000 ] - [ -0.0003719100000000, 0.0000590200000000, -0.0000309100000000 ] - [ -0.0001505400000000, 0.0001274300000000, -0.0004061600000000 ] - [ -0.0007951900000000, -0.0011378900000000, 0.0000686000000000 ] - [ -0.0000638200000000, 0.0001471400000000, 0.0000869700000000 ] - [ -0.0005851800000000, -0.0006730700000000, -0.0029544900000000 ] - [ -0.0002240200000000, -0.0002595200000000, 0.0002253400000000 ] - [ 0.0003369700000000, -0.0001371200000000, 0.0000123600000000 ] - [ -0.0003422200000000, -0.0001863500000000, 0.0001172000000000 ] - [ 0.0005544800000000, 0.0001521900000000, 0.0000192600000000 ] - [ 0.0001201500000000, -0.0000767500000000, -0.0000183800000000 ] - [ 0.0001117300000000, 0.0003283900000000, -0.0002242800000000 ] - [ 0.0004915200000000, -0.0000109000000000, -0.0003599500000000 ] - [ 0.0002960800000000, 0.0000046400000000, -0.0002080000000000 ] - [ 0.0006317500000000, 0.0004278400000000, 0.0001777800000000 ] - [ -0.0007550100000000, -0.0009477600000000, -0.0006891500000000 ] - [ -0.0006084500000000, 0.0012403700000000, 0.0006598300000000 ] - [ -0.0001525700000000, -0.0001002900000000, 0.0003303200000000 ] - [ -0.0642615300000000, -0.0091317400000000, 0.0163550500000000 ] - [ -0.0004847200000000, -0.0001036200000000, -0.0003546100000000 ] - [ 0.0005387600000000, 0.0001081600000000, 0.0004223700000000 ] - [ 0.0001504100000000, 0.0001395600000000, -0.0000291100000000 ] - [ 0.0004156500000000, -0.0001548100000000, -0.0000264200000000 ] - [ 0.0011357900000000, 0.0000521800000000, 0.0005903900000000 ] - [ -0.0003981700000000, -0.0000197400000000, -0.0003617000000000 ] - [ -0.0004324800000000, 0.0006996600000000, 0.0008521800000000 ] - [ 0.0006303100000000, -0.0001249000000000, 0.0001660200000000 ] - [ 0.0007517800000000, -0.0006292400000000, 0.0002925500000000 ] - [ -0.0019854800000000, -0.0029626200000000, -0.0024600700000000 ] - [ 0.0002297500000000, 0.0010575000000000, 0.0003567500000000 ] - [ 0.0776926200000000, 0.0120155600000000, -0.0133709600000000 ] - [ 0.0003251500000000, 0.0002070100000000, 0.0004610700000000 ] - [ 0.0003813500000000, -0.0003146800000000, -0.0002308100000000 ] - [ 0.0002624200000000, 0.0000489600000000, -0.0002282200000000 ] - [ -0.0004843300000000, -0.0000650700000000, 0.0002502000000000 ] - [ -0.0003011100000000, -0.0000748600000000, 0.0001643100000000 ] - [ 0.0000653200000000, 0.0000703500000000, 0.0001879000000000 ] - [ 0.0003324500000000, -0.0001552100000000, 0.0001645900000000 ] - [ -0.0002284800000000, -0.0002636100000000, -0.0003747700000000 ] - [ -0.0001205600000000, 0.0000306500000000, -0.0000983900000000 ] - [ 0.0001469800000000, 0.0001001200000000, 0.0001173900000000 ] - [ 0.0002274100000000, 0.0001430800000000, 0.0000267500000000 ] - [ -0.0004418800000000, -0.0001072600000000, 0.0000674900000000 ] - [ 0.0001126200000000, -0.0002959600000000, 0.0001334100000000 ] - [ -0.0002632600000000, -0.0008000100000000, -0.0001877500000000 ] - [ 0.0000476200000000, 0.0000708800000000, 0.0001904900000000 ] - [ 0.0002915500000000, -0.0001325800000000, -0.0000224700000000 ] - [ -0.0003904200000000, -0.0002248700000000, -0.0004001100000000 ] - [ -0.0005475400000000, 0.0001327200000000, -0.0006320400000000 ] - [ -0.0014884100000000, -0.0014024400000000, 0.0001942200000000 ] - [ -0.0001301300000000, -0.0001973800000000, 0.0001888800000000 ] - [ -0.0005973000000000, 0.0003278500000000, 0.0003436600000000 ] - [ -0.0003871300000000, -0.0000398700000000, -0.0001407900000000 ] - [ -0.0005205300000000, 0.0004301100000000, -0.0001684800000000 ] - [ -0.0002604500000000, 0.0003934300000000, -0.0006659300000000 ] - [ -0.0011564600000000, -0.0007612200000000, -0.0003459400000000 ] - [ -0.0004620400000000, 0.0000487500000000, -0.0002139300000000 ] - [ -0.0009150500000000, 0.0003024800000000, 0.0008924800000000 ] - [ -0.0000125500000000, 0.0004707300000000, 0.0002992600000000 ] - [ 0.0003942200000000, -0.0009001700000000, -0.0003291800000000 ] - [ -0.0005747600000000, -0.0008653500000000, -0.0004864700000000 ] - [ -0.0001453400000000, 0.0010984400000000, 0.0004166100000000 ] - [ -0.0000707900000000, 0.0002676700000000, 0.0005322000000000 ] - [ -0.0004684900000000, -0.0001894600000000, -0.0000089900000000 ] - [ -0.0002397100000000, 0.0005620900000000, 0.0015602200000000 ] - [ 0.0001108500000000, 0.0003111500000000, 0.0002197200000000 ] - [ -0.0025888500000000, -0.0007697200000000, -0.0005170700000000 ] - [ -0.0001848100000000, 0.0001223700000000, -0.0003076700000000 ] - [ 0.0008058900000000, 0.0004668100000000, 0.0004129200000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000169600000000, 0.0002811400000000, 0.0002121900000000 ] - [ 0.0002624300000000, -0.0000845600000000, -0.0000566500000000 ] - [ -0.0010202100000000, 0.0068656600000000, 0.0003931800000000 ] - [ -0.0001550000000000, 0.0000241000000000, 0.0001137900000000 ] - [ -0.0003515000000000, 0.0002603500000000, 0.0003882400000000 ] - [ -0.0002445100000000, -0.0001076000000000, -0.0000450300000000 ] - [ -0.0002015600000000, 0.0000076500000000, 0.0001735800000000 ] - [ 0.0000489300000000, 0.0000107000000000, -0.0000293400000000 ] - [ -0.0001452800000000, 0.0003226800000000, 0.0003802800000000 ] - [ 0.0001728600000000, -0.0001642400000000, -0.0001517200000000 ] - [ 0.0002347500000000, 0.0000057900000000, -0.0002107100000000 ] - [ 0.0000160300000000, 0.0000127900000000, -0.0000736900000000 ] - [ -0.0002335300000000, -0.0000056000000000, -0.0001898000000000 ] - [ 0.0002086800000000, 0.0000992900000000, -0.0000624400000000 ] - [ -0.0000527300000000, -0.0000917400000000, 0.0000405200000000 ] - [ 0.0000926100000000, 0.0001742300000000, -0.0003327300000000 ] - [ -0.0001109900000000, -0.0004099600000000, 0.0000170600000000 ] - [ -0.0000853100000000, 0.0001047300000000, -0.0000763600000000 ] - [ 0.0004677100000000, -0.0001280200000000, 0.0000117300000000 ] - [ -0.0003494000000000, -0.0005366000000000, 0.0003932300000000 ] - [ -0.0002576800000000, 0.0000574600000000, 0.0000462600000000 ] - [ 0.0000986000000000, 0.0001478700000000, -0.0004269100000000 ] - [ -0.0000430900000000, 0.0051965300000000, 0.0004061600000000 ] - [ -0.0003076200000000, 0.0000134800000000, 0.0000147200000000 ] - [ 0.0005544900000000, -0.0003542100000000, 0.0007328700000000 ] - [ -0.0000688100000000, -0.0004596700000000, 0.0002354800000000 ] - [ 0.0002419500000000, -0.0001757000000000, -0.0000168400000000 ] - [ -0.0001344900000000, -0.0005133600000000, 0.0001115600000000 ] - [ 0.0002301700000000, 0.0002952500000000, 0.0001333100000000 ] - [ -0.0000692200000000, -0.0001322700000000, -0.0000311000000000 ] - [ 0.0001143300000000, 0.0001867500000000, -0.0000701200000000 ] - [ 0.0001508200000000, 0.0000586700000000, -0.0002392400000000 ] - [ 0.0001302400000000, -0.0000519500000000, -0.0000233900000000 ] - [ 0.0003901900000000, 0.0002184200000000, 0.0002484700000000 ] - [ -0.0006294800000000, -0.0002430500000000, -0.0000286400000000 ] - [ -0.0009549800000000, 0.0007265400000000, -0.0001615800000000 ] - [ -0.0000270200000000, 0.0001815400000000, 0.0003903200000000 ] - [ 0.0109095100000000, 0.0078066200000000, -0.0025011800000000 ] - [ -0.0003609400000000, -0.0004804400000000, -0.0002123100000000 ] - [ -0.0008330200000000, -0.0004090000000000, -0.0016045600000000 ] - [ 0.0000617700000000, -0.0000067200000000, 0.0000449300000000 ] - [ 0.0010463100000000, 0.0005252100000000, 0.0006174700000000 ] - [ -0.0000669700000000, 0.0002597300000000, 0.0001913800000000 ] - [ -0.0002115500000000, -0.0001986000000000, -0.0000241000000000 ] - [ 0.0003927600000000, -0.0000776200000000, 0.0002664700000000 ] - [ -0.0004433400000000, -0.0002187700000000, 0.0005041500000000 ] - [ 0.0001175200000000, -0.0001845900000000, 0.0001053300000000 ] - [ -0.0002064400000000, -0.0000315000000000, -0.0003836800000000 ] - [ -0.0001034000000000, 0.0002501400000000, -0.0000615700000000 ] - [ -0.0124058700000000, -0.0240617900000000, 0.0001158700000000 ] - [ 0.0001929600000000, 0.0003947100000000, 0.0002166700000000 ] - [ -0.0005838400000000, -0.0000792500000000, -0.0013084700000000 ] - [ 0.0001170200000000, 0.0001078500000000, -0.0001915900000000 ] - [ -0.0004350900000000, -0.0000204200000000, 0.0001230200000000 ] - [ 0.0006331000000000, 0.0001237400000000, 0.0003804200000000 ] - [ 0.0001368400000000, -0.0000149400000000, 0.0001104700000000 ] - [ 0.0004043600000000, -0.0001336100000000, 0.0000864700000000 ] - [ -0.0000894900000000, 0.0000655400000000, -0.0004387200000000 ] - [ -0.0002479200000000, 0.0001807400000000, -0.0002102700000000 ] - [ 0.0000206500000000, 0.0000219700000000, 0.0000517200000000 ] - [ 0.0000208000000000, 0.0002686400000000, -0.0001196100000000 ] - [ -0.0000525800000000, -0.0001556300000000, -0.0001193600000000 ] - [ 0.0003571300000000, -0.0005266600000000, 0.0006167200000000 ] - [ 0.0002167700000000, 0.0001457800000000, 0.0000604800000000 ] - [ -0.0000286500000000, -0.0000772700000000, 0.0001119500000000 ] - [ -0.0000122600000000, 0.0002023300000000, 0.0000637600000000 ] - [ 0.0002011500000000, -0.0001137100000000, -0.0002314900000000 ] - [ 0.0000292000000000, 0.0001900300000000, -0.0003623100000000 ] - [ 0.0038174000000000, 0.0018093300000000, -0.0003569300000000 ] - [ 0.0000242300000000, -0.0000721200000000, 0.0002006500000000 ] - [ -0.0002775600000000, 0.0001213100000000, 0.0002256000000000 ] - [ -0.0003763700000000, 0.0004342600000000, 0.0000667600000000 ] - [ 0.0002148500000000, 0.0001978000000000, -0.0001637900000000 ] - [ -0.0002089900000000, 0.0004770500000000, -0.0006198600000000 ] - [ -0.0012517800000000, -0.0008489200000000, -0.0004036600000000 ] - [ 0.0009524000000000, 0.0007436200000000, 0.0003216200000000 ] - [ 0.0003085800000000, 0.0001539200000000, -0.0003108300000000 ] - [ -0.0000769100000000, 0.0005578100000000, 0.0001714600000000 ] - [ 0.0009831500000000, 0.0006469200000000, 0.0014899600000000 ] - [ 0.0008762300000000, 0.0003337300000000, 0.0003026300000000 ] - [ -0.0011742000000000, 0.0002221200000000, 0.0008229300000000 ] - [ 0.0002256500000000, 0.0006678200000000, 0.0001594500000000 ] - [ -0.0004241700000000, -0.0001701200000000, -0.0001321900000000 ] - [ -0.0004275600000000, -0.0002453800000000, -0.0000339100000000 ] - [ -0.0001558400000000, 0.0005099200000000, -0.0000381100000000 ] - [ 0.0001374000000000, -0.0013062600000000, 0.0004387100000000 ] - [ -0.0000960700000000, -0.0000313800000000, -0.0004430800000000 ] - [ 0.0001637900000000, 0.0002529200000000, 0.0001878700000000 ]- atom: 50 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001837500000000, 0.0002121800000000, 0.0003502100000000 ] - [ -0.0001382400000000, 0.0002165200000000, 0.0000793500000000 ] - [ 0.0015073300000000, -0.0073690800000000, -0.0004260700000000 ] - [ -0.0002689500000000, -0.0000283700000000, 0.0001138300000000 ] - [ 0.0002952100000000, -0.0002087500000000, -0.0001439000000000 ] - [ -0.0002256100000000, -0.0001801100000000, 0.0000283400000000 ] - [ -0.0002196000000000, -0.0000052100000000, 0.0000549000000000 ] - [ 0.0000752600000000, -0.0001419500000000, 0.0000520000000000 ] - [ -0.0002707600000000, 0.0001132800000000, -0.0001036300000000 ] - [ 0.0002655900000000, -0.0000435000000000, 0.0001688400000000 ] - [ 0.0001873300000000, -0.0000028500000000, -0.0000185500000000 ] - [ 0.0000396000000000, 0.0000404100000000, -0.0001696700000000 ] - [ -0.0002051600000000, -0.0002022200000000, 0.0001729900000000 ] - [ 0.0002445300000000, 0.0000635500000000, 0.0000444600000000 ] - [ -0.0000045400000000, 0.0000396000000000, 0.0002034500000000 ] - [ 0.0000661700000000, -0.0006638400000000, -0.0002430400000000 ] - [ -0.0003268800000000, 0.0006156200000000, -0.0000343600000000 ] - [ -0.0000400800000000, 0.0000251300000000, 0.0000526400000000 ] - [ -0.0000464300000000, 0.0001254800000000, -0.0002394900000000 ] - [ 0.0008168500000000, 0.0007337700000000, -0.0004001700000000 ] - [ -0.0001963000000000, 0.0001067400000000, -0.0000291600000000 ] - [ 0.0000662000000000, 0.0003452700000000, -0.0001295700000000 ] - [ -0.0004154500000000, -0.0051043200000000, -0.0003648600000000 ] - [ -0.0001630800000000, 0.0002753900000000, -0.0000325200000000 ] - [ -0.0001304600000000, -0.0000695100000000, -0.0009728300000000 ] - [ -0.0000967200000000, -0.0000335400000000, 0.0003206600000000 ] - [ 0.0002291000000000, -0.0001129500000000, 0.0000339800000000 ] - [ -0.0002825400000000, 0.0000777300000000, 0.0001708000000000 ] - [ 0.0002456700000000, -0.0000079600000000, -0.0001183300000000 ] - [ -0.0000544900000000, -0.0000003400000000, 0.0000075200000000 ] - [ 0.0003041400000000, 0.0002499700000000, -0.0002109700000000 ] - [ -0.0000924000000000, -0.0001088700000000, -0.0000007300000000 ] - [ -0.0001108800000000, 0.0000772600000000, -0.0000485900000000 ] - [ -0.0012064800000000, -0.0002753900000000, -0.0003937800000000 ] - [ -0.0001804400000000, 0.0003091600000000, -0.0001106200000000 ] - [ 0.0005056700000000, -0.0008034400000000, -0.0002748500000000 ] - [ 0.0004902700000000, -0.0005504300000000, 0.0001578300000000 ] - [ -0.0114962600000000, -0.0075459900000000, 0.0019814300000000 ] - [ -0.0001019600000000, 0.0001101800000000, -0.0003387000000000 ] - [ 0.0008145400000000, 0.0003864500000000, 0.0016656700000000 ] - [ -0.0000805300000000, 0.0000301100000000, 0.0000217300000000 ] - [ -0.0002371200000000, -0.0005910100000000, -0.0004740900000000 ] - [ 0.0005178400000000, -0.0001791100000000, 0.0002494200000000 ] - [ -0.0002372100000000, 0.0002794800000000, -0.0004161900000000 ] - [ 0.0000721000000000, 0.0004511800000000, 0.0002758900000000 ] - [ 0.0008942200000000, 0.0001402000000000, -0.0000633600000000 ] - [ -0.0001037600000000, 0.0001828300000000, -0.0001846500000000 ] - [ 0.0010215200000000, 0.0000774300000000, 0.0005085300000000 ] - [ 0.0000528700000000, -0.0003189500000000, -0.0003091700000000 ] - [ 0.0124974800000000, 0.0239605900000000, -0.0002702700000000 ] - [ 0.0001537200000000, -0.0000513000000000, 0.0004069000000000 ] - [ 0.0008819000000000, -0.0007797200000000, 0.0009036500000000 ] - [ 0.0003688200000000, 0.0000184300000000, -0.0002023800000000 ] - [ -0.0000489200000000, 0.0001469200000000, 0.0002735500000000 ] - [ -0.0005805100000000, 0.0001342200000000, -0.0000290100000000 ] - [ 0.0001440900000000, 0.0001723600000000, 0.0001932200000000 ] - [ 0.0004587300000000, -0.0001651900000000, 0.0000881200000000 ] - [ -0.0002564300000000, -0.0004102500000000, -0.0001818900000000 ] - [ -0.0000356800000000, -0.0000233400000000, -0.0000946400000000 ] - [ -0.0000445700000000, 0.0002421400000000, 0.0000947200000000 ] - [ 0.0000000400000000, -0.0000047800000000, -0.0000256900000000 ] - [ 0.0000026700000000, -0.0001042600000000, -0.0002288600000000 ] - [ -0.0002068600000000, -0.0000049900000000, 0.0000709600000000 ] - [ 0.0000739400000000, -0.0003015300000000, 0.0002455100000000 ] - [ 0.0000762300000000, 0.0001395100000000, 0.0002561500000000 ] - [ -0.0000098300000000, -0.0004668700000000, 0.0000827800000000 ] - [ -0.0003515100000000, -0.0004167400000000, -0.0004555200000000 ] - [ -0.0001785700000000, 0.0003414100000000, -0.0003241700000000 ] - [ -0.0040652000000000, -0.0019418400000000, 0.0000444200000000 ] - [ 0.0000259500000000, -0.0001875400000000, 0.0001480100000000 ] - [ -0.0002049800000000, -0.0002492300000000, 0.0001676100000000 ] - [ -0.0004884100000000, -0.0001343700000000, -0.0002402200000000 ] - [ -0.0002669000000000, 0.0000571100000000, -0.0001839100000000 ] - [ 0.0001626300000000, -0.0004136400000000, 0.0002496600000000 ] - [ 0.0009561100000000, -0.0000122700000000, 0.0008169100000000 ] - [ -0.0001262000000000, -0.0004517500000000, -0.0001582300000000 ] - [ -0.0002073800000000, 0.0004308500000000, 0.0001808000000000 ] - [ -0.0002178100000000, 0.0003009800000000, 0.0002379300000000 ] - [ -0.0010798200000000, -0.0012240500000000, -0.0013392700000000 ] - [ -0.0007762500000000, -0.0009208400000000, -0.0004399300000000 ] - [ 0.0012310800000000, -0.0002842000000000, -0.0004567800000000 ] - [ -0.0000763600000000, -0.0001373000000000, 0.0005278300000000 ] - [ -0.0004380400000000, -0.0001295100000000, -0.0000444700000000 ] - [ 0.0009030000000000, 0.0001179100000000, -0.0003621800000000 ] - [ 0.0000513300000000, 0.0000739600000000, 0.0001750600000000 ] - [ 0.0002023800000000, 0.0009586900000000, 0.0001852900000000 ] - [ -0.0002522200000000, 0.0003737200000000, -0.0001789300000000 ] - [ 0.0001264300000000, 0.0006094600000000, -0.0005953300000000 ]- atom: 50 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ 0.0000326800000000, 0.0001541400000000, 0.0000628100000000 ] - [ 0.0002292300000000, -0.0002065000000000, 0.0000651400000000 ] - [ -0.0000468400000000, 0.0008213100000000, 0.0002877000000000 ] - [ -0.0002604300000000, -0.0000926300000000, 0.0002898900000000 ] - [ 0.0000337000000000, 0.0002686300000000, 0.0001138000000000 ] - [ -0.0002177500000000, -0.0001184300000000, -0.0001461200000000 ] - [ -0.0002156900000000, -0.0000171900000000, -0.0000246900000000 ] - [ 0.0000625000000000, 0.0000004900000000, -0.0001800900000000 ] - [ -0.0001924200000000, 0.0004710700000000, 0.0000709600000000 ] - [ 0.0002579300000000, -0.0000315800000000, -0.0000421000000000 ] - [ 0.0003444100000000, -0.0000357900000000, -0.0005636400000000 ] - [ 0.0000208800000000, 0.0000374300000000, -0.0001518900000000 ] - [ -0.0002296700000000, -0.0000405600000000, -0.0003090000000000 ] - [ 0.0001161200000000, 0.0000448000000000, -0.0003533200000000 ] - [ -0.0000602400000000, -0.0000705000000000, 0.0001022700000000 ] - [ 0.0020187200000000, -0.0009431900000000, 0.0044661200000000 ] - [ -0.0002600000000000, -0.0000775500000000, 0.0000387700000000 ] - [ -0.0000849100000000, 0.0000153300000000, 0.0000105700000000 ] - [ 0.0001331200000000, 0.0001388800000000, 0.0001082200000000 ] - [ -0.0022050900000000, 0.0002490800000000, 0.0014058400000000 ] - [ -0.0001597400000000, 0.0001192300000000, -0.0000736100000000 ] - [ 0.0000168900000000, -0.0000027600000000, -0.0004179500000000 ] - [ -0.0003688800000000, 0.0000439800000000, 0.0002956400000000 ] - [ -0.0002537200000000, 0.0001877900000000, 0.0000371000000000 ] - [ 0.0033958100000000, 0.0009193600000000, 0.0097892900000000 ] - [ -0.0000342600000000, -0.0002174100000000, 0.0003816300000000 ] - [ 0.0002209500000000, -0.0001476800000000, -0.0000553100000000 ] - [ -0.0001263500000000, -0.0002963100000000, 0.0002270300000000 ] - [ 0.0003846400000000, 0.0001292500000000, 0.0004323800000000 ] - [ -0.0001132500000000, -0.0000518800000000, -0.0000044900000000 ] - [ 0.0003036100000000, 0.0002882400000000, -0.0002251500000000 ] - [ 0.0004739000000000, -0.0000515600000000, -0.0000885200000000 ] - [ -0.0000210300000000, 0.0000834000000000, -0.0002609100000000 ] - [ -0.0007632500000000, -0.0006521100000000, -0.0005525300000000 ] - [ -0.0005481700000000, -0.0003272100000000, -0.0001423300000000 ] - [ -0.0013764700000000, -0.0003665000000000, -0.0001925700000000 ] - [ 0.0001999600000000, -0.0003000400000000, 0.0000630000000000 ] - [ -0.0182245800000000, -0.0016871300000000, 0.0110615500000000 ] - [ -0.0001613700000000, -0.0001767600000000, -0.0004615000000000 ] - [ 0.0003413300000000, -0.0000342400000000, 0.0011680300000000 ] - [ -0.0000930000000000, 0.0002821900000000, -0.0001021300000000 ] - [ -0.0000678600000000, -0.0004567700000000, -0.0004862100000000 ] - [ 0.0007954600000000, -0.0003093100000000, 0.0001187500000000 ] - [ -0.0001585000000000, 0.0001027400000000, -0.0002827500000000 ] - [ 0.0001874600000000, 0.0003930500000000, 0.0005053300000000 ] - [ -0.0001403900000000, 0.0000321200000000, 0.0006554900000000 ] - [ 0.0001087100000000, 0.0006412200000000, -0.0001810600000000 ] - [ -0.0012415500000000, -0.0028958100000000, -0.0016216700000000 ] - [ -0.0000414200000000, 0.0003306700000000, -0.0000495600000000 ] - [ 0.0177538800000000, 0.0007653600000000, -0.0306293900000000 ] - [ 0.0002932700000000, 0.0001866900000000, 0.0005630900000000 ] - [ 0.0007634400000000, -0.0012293500000000, 0.0007219800000000 ] - [ 0.0003380400000000, 0.0000333100000000, -0.0000778900000000 ] - [ -0.0002809000000000, 0.0001169600000000, 0.0002645200000000 ] - [ -0.0000731200000000, 0.0001742700000000, -0.0001812700000000 ] - [ 0.0002036200000000, 0.0002405500000000, 0.0004382200000000 ] - [ 0.0004115000000000, -0.0002208400000000, 0.0002067600000000 ] - [ -0.0001160400000000, -0.0002059700000000, -0.0004955900000000 ] - [ -0.0000955900000000, 0.0000046500000000, -0.0000879100000000 ] - [ -0.0000463200000000, 0.0001082100000000, 0.0002754500000000 ] - [ -0.0000763800000000, 0.0001798300000000, 0.0001183300000000 ] - [ -0.0003218600000000, -0.0001726600000000, 0.0000529700000000 ] - [ 0.0003245500000000, -0.0003009400000000, 0.0004270600000000 ] - [ 0.0000068800000000, -0.0002256800000000, -0.0000009000000000 ] - [ 0.0001504000000000, 0.0001090800000000, 0.0005740500000000 ] - [ 0.0000991800000000, -0.0001228500000000, -0.0000988000000000 ] - [ -0.0001086200000000, -0.0001701600000000, -0.0004161900000000 ] - [ -0.0001129100000000, 0.0003878500000000, 0.0000021400000000 ] - [ -0.0013096400000000, -0.0005142900000000, -0.0011878900000000 ] - [ -0.0000340600000000, -0.0001628400000000, 0.0002698300000000 ] - [ -0.0003246500000000, 0.0000931700000000, 0.0002480900000000 ] - [ -0.0004472800000000, 0.0003410400000000, -0.0003779500000000 ] - [ -0.0001148500000000, -0.0001022600000000, -0.0002952400000000 ] - [ 0.0001093200000000, -0.0002883100000000, 0.0003282400000000 ] - [ 0.0007837800000000, -0.0001756700000000, 0.0008989000000000 ] - [ -0.0009962900000000, -0.0002983500000000, 0.0000507000000000 ] - [ -0.0007491000000000, 0.0004211800000000, 0.0002533300000000 ] - [ -0.0002311200000000, 0.0004217200000000, 0.0002420400000000 ] - [ 0.0013480600000000, 0.0016681700000000, 0.0012343000000000 ] - [ 0.0005476200000000, -0.0000422500000000, -0.0001673000000000 ] - [ -0.0000680600000000, 0.0010166100000000, -0.0000716700000000 ] - [ 0.0000074900000000, 0.0002816200000000, 0.0004334200000000 ] - [ -0.0004016900000000, -0.0002717700000000, 0.0000518700000000 ] - [ -0.0016630700000000, 0.0003010500000000, 0.0007616000000000 ] - [ -0.0000662200000000, 0.0003461100000000, 0.0001639300000000 ] - [ 0.0030034300000000, 0.0002887100000000, -0.0001637600000000 ] - [ -0.0002045300000000, 0.0002234900000000, -0.0000767200000000 ] - [ -0.0003132900000000, 0.0006476000000000, 0.0009594400000000 ]- atom: 50 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0001994200000000, 0.0003403600000000, 0.0004975500000000 ] - [ -0.0001047300000000, 0.0003399400000000, -0.0000417400000000 ] - [ 0.0004937200000000, -0.0009565200000000, -0.0002977100000000 ] - [ -0.0001616100000000, 0.0000884100000000, -0.0000609100000000 ] - [ -0.0000871400000000, -0.0002191500000000, 0.0001292200000000 ] - [ -0.0002524000000000, -0.0001694700000000, 0.0001298000000000 ] - [ -0.0002052000000000, 0.0000196000000000, 0.0002520400000000 ] - [ 0.0000658700000000, -0.0001328400000000, 0.0002144000000000 ] - [ -0.0002253200000000, -0.0000362800000000, 0.0002032200000000 ] - [ 0.0001797700000000, -0.0001761300000000, 0.0000588000000000 ] - [ 0.0000760300000000, 0.0000387200000000, 0.0003353600000000 ] - [ 0.0000353100000000, 0.0000140700000000, -0.0000928400000000 ] - [ -0.0002089100000000, -0.0001678900000000, 0.0002918100000000 ] - [ 0.0003396100000000, 0.0001178000000000, 0.0003376700000000 ] - [ 0.0000055900000000, 0.0000189000000000, 0.0001417100000000 ] - [ -0.0017480200000000, 0.0004203900000000, -0.0048114700000000 ] - [ -0.0001784400000000, 0.0002855500000000, -0.0000558100000000 ] - [ -0.0000429000000000, 0.0001164600000000, -0.0000439600000000 ] - [ 0.0002882700000000, -0.0001425900000000, -0.0003359800000000 ] - [ 0.0026008100000000, -0.0000404800000000, -0.0014055700000000 ] - [ -0.0002946300000000, 0.0000451200000000, 0.0000901800000000 ] - [ 0.0001460400000000, 0.0004965400000000, -0.0001393100000000 ] - [ -0.0000884400000000, -0.0002239900000000, -0.0002810300000000 ] - [ -0.0002166300000000, 0.0001008100000000, -0.0000536800000000 ] - [ -0.0031399800000000, -0.0014030400000000, -0.0103681600000000 ] - [ -0.0001284000000000, -0.0002748000000000, 0.0001752800000000 ] - [ 0.0002504000000000, -0.0001404300000000, 0.0000716900000000 ] - [ -0.0002913600000000, -0.0001395600000000, 0.0000543900000000 ] - [ 0.0000901400000000, 0.0001576900000000, -0.0004201300000000 ] - [ -0.0000103800000000, -0.0000805300000000, -0.0000192400000000 ] - [ 0.0001154000000000, 0.0001470300000000, -0.0000564800000000 ] - [ -0.0004184800000000, 0.0000013900000000, -0.0001511500000000 ] - [ 0.0000395500000000, -0.0000519500000000, 0.0001815700000000 ] - [ -0.0000543300000000, 0.0005919100000000, 0.0004024800000000 ] - [ -0.0002644300000000, 0.0003894700000000, -0.0000067700000000 ] - [ 0.0009167100000000, 0.0003021700000000, -0.0002440000000000 ] - [ 0.0002650000000000, -0.0000614400000000, 0.0004961000000000 ] - [ 0.0177638200000000, 0.0020666000000000, -0.0115208600000000 ] - [ -0.0002995500000000, -0.0001883500000000, -0.0000966400000000 ] - [ -0.0003588700000000, 0.0000079800000000, -0.0010918700000000 ] - [ 0.0000729900000000, -0.0002479300000000, 0.0001811500000000 ] - [ 0.0008751500000000, 0.0003880300000000, 0.0006336900000000 ] - [ -0.0003480900000000, 0.0003838800000000, 0.0003292400000000 ] - [ -0.0002908200000000, -0.0000289100000000, -0.0001622600000000 ] - [ 0.0002721200000000, -0.0000242600000000, 0.0000514900000000 ] - [ 0.0005839200000000, -0.0001061100000000, -0.0002049100000000 ] - [ -0.0000847900000000, -0.0006627600000000, 0.0000933300000000 ] - [ 0.0020783200000000, 0.0029507100000000, 0.0017495600000000 ] - [ -0.0000038100000000, -0.0003891000000000, -0.0003182100000000 ] - [ -0.0176350600000000, -0.0009825400000000, 0.0305499700000000 ] - [ 0.0000536300000000, 0.0001571500000000, 0.0000600400000000 ] - [ -0.0004673300000000, 0.0003628200000000, -0.0011292600000000 ] - [ 0.0001488900000000, 0.0000925400000000, -0.0003164100000000 ] - [ -0.0002019900000000, 0.0000091600000000, 0.0001313900000000 ] - [ 0.0001216600000000, 0.0000859400000000, 0.0005304700000000 ] - [ 0.0000793100000000, -0.0000835800000000, -0.0001324900000000 ] - [ 0.0004516500000000, -0.0000796300000000, -0.0000314600000000 ] - [ -0.0002295700000000, -0.0001401800000000, -0.0001263600000000 ] - [ -0.0001883000000000, 0.0001516000000000, -0.0002177400000000 ] - [ 0.0000219800000000, 0.0001545800000000, -0.0001290200000000 ] - [ 0.0000969600000000, 0.0000850700000000, -0.0002642300000000 ] - [ 0.0002704400000000, -0.0000885600000000, -0.0004032200000000 ] - [ -0.0001724200000000, -0.0002315700000000, 0.0002606200000000 ] - [ 0.0002780000000000, 0.0000608100000000, 0.0003076800000000 ] - [ -0.0001029100000000, -0.0000456400000000, -0.0002036000000000 ] - [ -0.0001200700000000, -0.0001414300000000, 0.0002441700000000 ] - [ -0.0000409600000000, -0.0003613400000000, -0.0002739100000000 ] - [ -0.0000398400000000, 0.0001418600000000, -0.0006919200000000 ] - [ 0.0010282600000000, 0.0003559600000000, 0.0008932400000000 ] - [ 0.0000847800000000, -0.0000979400000000, 0.0000773500000000 ] - [ -0.0001605700000000, -0.0002174100000000, 0.0001460400000000 ] - [ -0.0004154100000000, -0.0000411100000000, 0.0002024800000000 ] - [ 0.0000617100000000, 0.0003627100000000, -0.0000514800000000 ] - [ -0.0001549100000000, 0.0003523200000000, -0.0007007300000000 ] - [ -0.0010757900000000, -0.0006865400000000, -0.0004908000000000 ] - [ 0.0018409500000000, 0.0005925100000000, 0.0001030000000000 ] - [ 0.0008535800000000, 0.0001652400000000, -0.0003967100000000 ] - [ -0.0000623500000000, 0.0004385000000000, 0.0001682000000000 ] - [ -0.0014401600000000, -0.0022330100000000, -0.0010902800000000 ] - [ -0.0004411900000000, -0.0005400500000000, 0.0000318300000000 ] - [ 0.0001137400000000, -0.0010826100000000, 0.0004438700000000 ] - [ 0.0001416300000000, 0.0002477500000000, 0.0002556800000000 ] - [ -0.0004607900000000, -0.0000292600000000, -0.0002289300000000 ] - [ 0.0021553200000000, -0.0004289700000000, -0.0011611400000000 ] - [ -0.0000379900000000, 0.0002376400000000, -0.0000274500000000 ] - [ -0.0026705000000000, -0.0006437400000000, 0.0007710600000000 ] - [ -0.0001439900000000, 0.0001217800000000, -0.0005434200000000 ] - [ 0.0006121500000000, 0.0002142200000000, -0.0013875800000000 ]- atom: 51 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ -0.0000451600000000, 0.0002545800000000, 0.0002763400000000 ] - [ -0.0005958400000000, -0.0000651100000000, -0.0003328900000000 ] - [ 0.0003174700000000, -0.0000664500000000, -0.0000272300000000 ] - [ -0.0003532000000000, 0.0000156400000000, 0.0001326400000000 ] - [ 0.0000108500000000, 0.0002882000000000, 0.0002248100000000 ] - [ -0.0003545000000000, 0.0001185300000000, -0.0000164700000000 ] - [ -0.0003817300000000, -0.0000898800000000, 0.0001240500000000 ] - [ -0.0000187500000000, -0.0000697600000000, -0.0000252900000000 ] - [ 0.0000211500000000, -0.0001932600000000, 0.0000415300000000 ] - [ 0.0000101900000000, -0.0000992500000000, 0.0002849700000000 ] - [ -0.0001540400000000, -0.0011853600000000, 0.0000963100000000 ] - [ -0.0000062500000000, 0.0000172600000000, -0.0003024200000000 ] - [ -0.0001575700000000, -0.0000818100000000, 0.0000605600000000 ] - [ 0.0003305200000000, 0.0004720900000000, -0.0000049300000000 ] - [ -0.0000014000000000, -0.0000039500000000, 0.0002136700000000 ] - [ 0.0001721800000000, -0.0002477500000000, -0.0002446500000000 ] - [ 0.0001742100000000, 0.0001483700000000, 0.0001407400000000 ] - [ -0.0001700000000000, 0.0000751600000000, -0.0001287600000000 ] - [ 0.0002496400000000, -0.0000148100000000, -0.0001424200000000 ] - [ 0.0002277800000000, 0.0000838600000000, -0.0000512100000000 ] - [ -0.0002311800000000, -0.0002364200000000, -0.0001576700000000 ] - [ 0.0036184900000000, 0.0001860400000000, -0.0013847000000000 ] - [ -0.0001650400000000, -0.0000920300000000, 0.0000357500000000 ] - [ -0.0003607500000000, 0.0000529200000000, -0.0001986100000000 ] - [ 0.0002414200000000, -0.0002729200000000, -0.0000930600000000 ] - [ -0.0003319700000000, -0.0001384300000000, 0.0004115100000000 ] - [ 0.0036365700000000, -0.0011782200000000, -0.0023530700000000 ] - [ -0.0001309200000000, -0.0002246600000000, 0.0001399300000000 ] - [ 0.0001451000000000, 0.0002421700000000, -0.0000876000000000 ] - [ -0.0004616000000000, 0.0000237600000000, -0.0000433500000000 ] - [ 0.0001266700000000, 0.0003505300000000, -0.0009393400000000 ] - [ -0.0000661500000000, 0.0000021200000000, -0.0000419000000000 ] - [ 0.0000568300000000, 0.0005511700000000, 0.0001608500000000 ] - [ -0.0007336500000000, -0.0001830900000000, -0.0001872300000000 ] - [ -0.0006445600000000, 0.0001620600000000, -0.0002306200000000 ] - [ -0.0000766700000000, -0.0000815200000000, -0.0003065600000000 ] - [ 0.0002439600000000, -0.0000495900000000, 0.0002009300000000 ] - [ -0.0001670100000000, 0.0001978300000000, -0.0003742600000000 ] - [ 0.0227207800000000, 0.0065540600000000, 0.0207473900000000 ] - [ 0.0003720200000000, -0.0000014800000000, -0.0000843800000000 ] - [ 0.0004333000000000, -0.0002955500000000, 0.0013011000000000 ] - [ 0.0006952000000000, 0.0008914900000000, -0.0002285500000000 ] - [ 0.0001143400000000, 0.0001651200000000, 0.0001198700000000 ] - [ 0.0062596600000000, 0.0087381600000000, -0.0029822500000000 ] - [ 0.0002405800000000, 0.0002280500000000, 0.0001887500000000 ] - [ 0.0000497000000000, 0.0000502000000000, 0.0003382300000000 ] - [ -0.0000542500000000, -0.0000826100000000, -0.0000504900000000 ] - [ 0.0010243200000000, -0.0001916200000000, 0.0001279900000000 ] - [ 0.0000578300000000, 0.0000524500000000, -0.0000250200000000 ] - [ -0.0001413200000000, -0.0001112100000000, 0.0000371500000000 ] - [ -0.0393946500000000, -0.0133613300000000, -0.0173752500000000 ] - [ -0.0001453200000000, -0.0004125700000000, -0.0002852200000000 ] - [ -0.0000174200000000, 0.0001060600000000, -0.0004272100000000 ] - [ 0.0000299300000000, 0.0000484500000000, 0.0001888000000000 ] - [ 0.0000915900000000, -0.0002259400000000, 0.0007756800000000 ] - [ 0.0000847800000000, -0.0000382200000000, 0.0001347600000000 ] - [ 0.0015560300000000, -0.0004288800000000, 0.0001923700000000 ] - [ -0.0001430600000000, -0.0001139800000000, -0.0002950600000000 ] - [ -0.0009517600000000, 0.0003648500000000, -0.0000627300000000 ] - [ 0.0000466000000000, 0.0002156900000000, 0.0001340500000000 ] - [ 0.0028089900000000, 0.0001644700000000, 0.0029066700000000 ] - [ -0.0001239500000000, -0.0000077600000000, -0.0001980700000000 ] - [ -0.0000220900000000, -0.0001897800000000, 0.0004247900000000 ] - [ 0.0001801500000000, -0.0000943200000000, 0.0002691200000000 ] - [ -0.0000739700000000, -0.0002545300000000, -0.0002488800000000 ] - [ 0.0000033600000000, -0.0002103700000000, 0.0000404400000000 ] - [ -0.0001116400000000, -0.0005517300000000, -0.0003742700000000 ] - [ 0.0000111900000000, 0.0001954700000000, -0.0002517900000000 ] - [ -0.0001718400000000, -0.0001084200000000, -0.0001355800000000 ] - [ 0.0002517500000000, -0.0014022500000000, -0.0001733700000000 ] - [ -0.0001796300000000, -0.0000476000000000, 0.0002453400000000 ] - [ -0.0004933900000000, 0.0001386600000000, 0.0000222200000000 ] - [ 0.0000903800000000, 0.0001791600000000, -0.0001278200000000 ] - [ 0.0000758500000000, 0.0001215400000000, -0.0002117000000000 ] - [ 0.0002713600000000, -0.0001607100000000, 0.0001771300000000 ] - [ 0.0004677100000000, 0.0001757400000000, 0.0000766200000000 ] - [ 0.0001502400000000, 0.0001003300000000, 0.0000719600000000 ] - [ -0.0000015400000000, 0.0003478400000000, 0.0002998800000000 ] - [ -0.0001721900000000, -0.0002394800000000, 0.0001386300000000 ] - [ 0.0003546900000000, -0.0002155700000000, -0.0001638300000000 ] - [ -0.0003055200000000, 0.0001632200000000, 0.0004060300000000 ] - [ -0.0002909700000000, -0.0018802000000000, 0.0012568600000000 ] - [ -0.0005114000000000, -0.0008726900000000, -0.0004086400000000 ] - [ 0.0002338500000000, 0.0004481400000000, 0.0002788000000000 ] - [ 0.0008447500000000, 0.0035529000000000, -0.0012469700000000 ] - [ 0.0000510500000000, -0.0001597900000000, 0.0003043700000000 ] - [ -0.0001743100000000, 0.0000181300000000, -0.0002597000000000 ] - [ -0.0000668600000000, -0.0000296000000000, -0.0004585500000000 ]- atom: 51 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0001188900000000, 0.0002381900000000, 0.0002855500000000 ] - [ 0.0007133100000000, 0.0001985000000000, 0.0003418100000000 ] - [ 0.0001360300000000, -0.0000983300000000, 0.0000105800000000 ] - [ -0.0000676700000000, -0.0000186300000000, 0.0000954600000000 ] - [ -0.0000648900000000, -0.0002398400000000, 0.0000214900000000 ] - [ -0.0001163900000000, -0.0004030100000000, 0.0000033300000000 ] - [ -0.0000381200000000, 0.0000933900000000, 0.0001031500000000 ] - [ 0.0001417000000000, -0.0000617600000000, 0.0000495900000000 ] - [ -0.0004393800000000, 0.0006291400000000, 0.0002342000000000 ] - [ 0.0004292200000000, -0.0001111600000000, -0.0002703800000000 ] - [ 0.0005916900000000, 0.0011551000000000, -0.0003311100000000 ] - [ 0.0000615500000000, 0.0000345800000000, 0.0000572000000000 ] - [ -0.0002795600000000, -0.0001292100000000, -0.0000789400000000 ] - [ 0.0001232900000000, -0.0003093800000000, -0.0000143200000000 ] - [ -0.0000520800000000, -0.0000479500000000, 0.0000321000000000 ] - [ -0.0000063800000000, -0.0002458800000000, -0.0003150700000000 ] - [ -0.0006096400000000, 0.0000598900000000, -0.0001588700000000 ] - [ 0.0000440800000000, 0.0000553700000000, 0.0001018100000000 ] - [ 0.0001713000000000, 0.0000120800000000, -0.0000837500000000 ] - [ 0.0002084500000000, 0.0001267400000000, 0.0000696200000000 ] - [ -0.0002223200000000, 0.0004015300000000, 0.0001742200000000 ] - [ -0.0035841300000000, 0.0003184900000000, 0.0009030000000000 ] - [ -0.0002887900000000, -0.0000708400000000, -0.0000187300000000 ] - [ -0.0001101100000000, 0.0002350100000000, 0.0001824800000000 ] - [ 0.0001759600000000, -0.0001628700000000, -0.0001817700000000 ] - [ 0.0001664600000000, -0.0003561700000000, 0.0001448600000000 ] - [ -0.0030308400000000, 0.0008757400000000, 0.0022642700000000 ] - [ -0.0002871500000000, -0.0002113000000000, 0.0001411200000000 ] - [ 0.0003271200000000, 0.0000445700000000, 0.0000974400000000 ] - [ 0.0003358100000000, -0.0001560500000000, 0.0000185300000000 ] - [ 0.0002916400000000, 0.0000865900000000, 0.0006619300000000 ] - [ 0.0001206500000000, -0.0000510300000000, -0.0002023600000000 ] - [ -0.0000328800000000, -0.0005242000000000, -0.0002359400000000 ] - [ -0.0000790300000000, 0.0001202000000000, 0.0000427800000000 ] - [ -0.0001672000000000, -0.0000987300000000, 0.0000860600000000 ] - [ -0.0003711800000000, -0.0000023200000000, -0.0001335200000000 ] - [ 0.0002160300000000, -0.0003154500000000, 0.0003545300000000 ] - [ -0.0002912300000000, 0.0001688300000000, -0.0001818900000000 ] - [ -0.0235371400000000, -0.0071195900000000, -0.0219816300000000 ] - [ -0.0003919900000000, -0.0000317300000000, 0.0001612700000000 ] - [ -0.0004502700000000, 0.0003368800000000, -0.0012394300000000 ] - [ 0.0001169100000000, -0.0009400300000000, 0.0003678000000000 ] - [ 0.0003381600000000, -0.0000810200000000, 0.0003140400000000 ] - [ -0.0066022600000000, -0.0085675900000000, 0.0024927700000000 ] - [ 0.0002179000000000, 0.0001385900000000, 0.0003679400000000 ] - [ 0.0003973000000000, -0.0001250200000000, 0.0001272500000000 ] - [ 0.0000665800000000, 0.0000495200000000, -0.0000345200000000 ] - [ -0.0002021200000000, 0.0002609800000000, 0.0000173700000000 ] - [ -0.0001039700000000, -0.0001176600000000, -0.0003448300000000 ] - [ 0.0001626700000000, -0.0001526300000000, -0.0001828500000000 ] - [ 0.0400596800000000, 0.0138666400000000, 0.0188201200000000 ] - [ 0.0004331200000000, -0.0004472200000000, -0.0001349100000000 ] - [ 0.0005069700000000, 0.0000176800000000, 0.0000346900000000 ] - [ -0.0005186800000000, 0.0000771300000000, 0.0002104100000000 ] - [ -0.0000387900000000, 0.0004876500000000, -0.0004280000000000 ] - [ 0.0001973100000000, 0.0001984700000000, 0.0001693400000000 ] - [ -0.0006957600000000, 0.0001246400000000, -0.0000179300000000 ] - [ -0.0001981600000000, -0.0002227700000000, -0.0003273000000000 ] - [ 0.0006652700000000, -0.0002105000000000, -0.0002455000000000 ] - [ -0.0000676100000000, 0.0000475400000000, 0.0000119500000000 ] - [ -0.0028529600000000, 0.0000985200000000, -0.0030932800000000 ] - [ 0.0000637300000000, -0.0002582000000000, -0.0001448800000000 ] - [ 0.0001718700000000, -0.0003411000000000, 0.0002638400000000 ] - [ 0.0001011600000000, -0.0000656200000000, 0.0000317000000000 ] - [ 0.0001155300000000, 0.0003264700000000, 0.0006078700000000 ] - [ -0.0000217900000000, -0.0000528300000000, 0.0001034300000000 ] - [ -0.0000408300000000, 0.0000171400000000, -0.0003187400000000 ] - [ -0.0001605600000000, 0.0003359900000000, -0.0004374300000000 ] - [ -0.0001094100000000, -0.0000509000000000, -0.0001673300000000 ] - [ -0.0001941100000000, 0.0011282700000000, 0.0005170300000000 ] - [ -0.0003082900000000, -0.0000776500000000, 0.0001505000000000 ] - [ -0.0003715600000000, 0.0001634500000000, -0.0001979400000000 ] - [ -0.0001424100000000, 0.0000816000000000, -0.0002187200000000 ] - [ -0.0001197800000000, -0.0000549500000000, -0.0001592300000000 ] - [ -0.0005606800000000, -0.0007001600000000, 0.0002396900000000 ] - [ 0.0003961100000000, 0.0001260100000000, 0.0001013200000000 ] - [ -0.0000416300000000, 0.0004849800000000, -0.0002073300000000 ] - [ -0.0002877700000000, 0.0005135100000000, 0.0001157100000000 ] - [ 0.0000634600000000, -0.0003442600000000, -0.0000049800000000 ] - [ -0.0002449600000000, -0.0003685000000000, 0.0000252400000000 ] - [ 0.0003491500000000, -0.0002320500000000, -0.0000436200000000 ] - [ 0.0004339700000000, 0.0023980600000000, -0.0005501000000000 ] - [ -0.0003526000000000, 0.0005696000000000, 0.0002328600000000 ] - [ 0.0002523800000000, -0.0005637300000000, -0.0006684800000000 ] - [ -0.0009706300000000, -0.0029935200000000, 0.0013989400000000 ] - [ 0.0002927500000000, -0.0001778600000000, 0.0003176300000000 ] - [ -0.0001699700000000, 0.0003205600000000, -0.0003608600000000 ] - [ 0.0003582800000000, 0.0008873700000000, 0.0000386800000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001523300000000, 0.0002251900000000, 0.0002480500000000 ] - [ -0.0001774800000000, -0.0001525700000000, -0.0003988100000000 ] - [ 0.0003634800000000, -0.0000809900000000, 0.0002106300000000 ] - [ -0.0002209000000000, 0.0000169500000000, 0.0001716800000000 ] - [ 0.0000360300000000, -0.0000934500000000, 0.0003701100000000 ] - [ 0.0001785000000000, -0.0004306300000000, -0.0001013200000000 ] - [ 0.0000213000000000, 0.0000393500000000, 0.0000386700000000 ] - [ 0.0000523800000000, -0.0002673000000000, 0.0000811300000000 ] - [ -0.0004105600000000, -0.0003262400000000, 0.0002740000000000 ] - [ 0.0003033000000000, -0.0000609300000000, -0.0000565000000000 ] - [ -0.0004928700000000, 0.0024876600000000, -0.0000120400000000 ] - [ -0.0000854000000000, 0.0000518300000000, -0.0000655500000000 ] - [ -0.0003662700000000, -0.0005025600000000, -0.0003396900000000 ] - [ 0.0003855000000000, -0.0000995400000000, 0.0000977500000000 ] - [ 0.0000564200000000, 0.0001607300000000, -0.0000915900000000 ] - [ 0.0001035000000000, -0.0004788100000000, -0.0002145700000000 ] - [ -0.0000934600000000, 0.0001998000000000, 0.0001253900000000 ] - [ 0.0000269600000000, 0.0000347100000000, -0.0000017500000000 ] - [ 0.0000682100000000, 0.0000053600000000, 0.0000291700000000 ] - [ 0.0002251900000000, 0.0000867900000000, 0.0000221900000000 ] - [ -0.0004958600000000, 0.0002576100000000, -0.0001289300000000 ] - [ 0.0009105600000000, 0.0005617200000000, -0.0007762500000000 ] - [ -0.0002743300000000, -0.0000615500000000, -0.0000092800000000 ] - [ -0.0002674600000000, 0.0001538100000000, -0.0001051500000000 ] - [ 0.0003432900000000, -0.0002571300000000, -0.0001857600000000 ] - [ -0.0002725100000000, -0.0001473500000000, 0.0004094600000000 ] - [ -0.0012842800000000, 0.0003639000000000, 0.0007247900000000 ] - [ -0.0002939400000000, -0.0000347900000000, -0.0001076900000000 ] - [ 0.0002538000000000, 0.0001072500000000, 0.0000171700000000 ] - [ -0.0000206300000000, 0.0000874500000000, 0.0001436000000000 ] - [ 0.0003053500000000, 0.0001912700000000, -0.0001019600000000 ] - [ -0.0000061000000000, -0.0000932900000000, -0.0001852400000000 ] - [ -0.0005587000000000, 0.0005157100000000, 0.0000307300000000 ] - [ -0.0004037800000000, 0.0000719400000000, -0.0001688500000000 ] - [ -0.0003031000000000, -0.0000330400000000, -0.0001379500000000 ] - [ -0.0001724100000000, -0.0002319400000000, -0.0004836500000000 ] - [ -0.0000472300000000, -0.0004053500000000, 0.0003303000000000 ] - [ -0.0003059600000000, -0.0001416000000000, -0.0004556500000000 ] - [ 0.0080034900000000, 0.0100108400000000, 0.0084001400000000 ] - [ -0.0001045100000000, 0.0001689600000000, 0.0000868900000000 ] - [ 0.0020720400000000, 0.0033390300000000, -0.0037242300000000 ] - [ -0.0011063100000000, -0.0015381500000000, -0.0001272300000000 ] - [ 0.0003098400000000, -0.0002061900000000, 0.0002583800000000 ] - [ 0.0057804500000000, 0.0412388400000000, -0.0104437100000000 ] - [ 0.0002298900000000, 0.0002458900000000, 0.0002088300000000 ] - [ 0.0001792300000000, 0.0000983800000000, 0.0000373100000000 ] - [ 0.0000628000000000, -0.0001642700000000, -0.0000456100000000 ] - [ 0.0000466300000000, -0.0001695800000000, -0.0005248200000000 ] - [ -0.0000687700000000, -0.0001062600000000, -0.0002062200000000 ] - [ -0.0000226700000000, 0.0000911600000000, -0.0000593200000000 ] - [ -0.0132474300000000, -0.0625535200000000, 0.0053261400000000 ] - [ 0.0002034300000000, 0.0000075100000000, -0.0014374800000000 ] - [ 0.0004728200000000, 0.0001004800000000, -0.0006339700000000 ] - [ -0.0002242000000000, 0.0000736000000000, 0.0002131000000000 ] - [ 0.0000379400000000, 0.0001712100000000, -0.0000438100000000 ] - [ 0.0003785900000000, 0.0002455600000000, 0.0001752400000000 ] - [ 0.0003353800000000, -0.0001273400000000, 0.0000598000000000 ] - [ -0.0001205400000000, -0.0001910200000000, -0.0002558800000000 ] - [ 0.0010493500000000, 0.0010727600000000, 0.0019659000000000 ] - [ 0.0000815900000000, 0.0003706300000000, 0.0000466500000000 ] - [ -0.0005960500000000, -0.0010043500000000, -0.0005707300000000 ] - [ 0.0009329300000000, 0.0004267600000000, -0.0004609200000000 ] - [ 0.0000338900000000, -0.0001641300000000, 0.0004990200000000 ] - [ 0.0001067900000000, -0.0000584800000000, 0.0001418500000000 ] - [ -0.0001047000000000, 0.0004209400000000, -0.0002330500000000 ] - [ -0.0000598200000000, -0.0003345700000000, 0.0000204200000000 ] - [ -0.0002752600000000, -0.0005112200000000, -0.0000950100000000 ] - [ -0.0001304000000000, 0.0004022600000000, -0.0004264000000000 ] - [ -0.0000403900000000, 0.0001328900000000, -0.0001361000000000 ] - [ -0.0009536500000000, -0.0000146500000000, 0.0007906500000000 ] - [ -0.0002921000000000, -0.0001228500000000, 0.0002791400000000 ] - [ -0.0004456600000000, 0.0000636500000000, -0.0000311900000000 ] - [ -0.0000436200000000, 0.0001554500000000, -0.0002047600000000 ] - [ -0.0000785200000000, -0.0000241500000000, -0.0002395200000000 ] - [ 0.0000128700000000, -0.0001676900000000, 0.0001079600000000 ] - [ 0.0004476300000000, 0.0002069400000000, 0.0000831500000000 ] - [ 0.0000957500000000, 0.0003517200000000, -0.0001433600000000 ] - [ -0.0001958400000000, 0.0004741000000000, 0.0002942900000000 ] - [ -0.0000580800000000, -0.0000631400000000, 0.0002988700000000 ] - [ 0.0001477800000000, -0.0003066200000000, -0.0000342400000000 ] - [ 0.0000662700000000, 0.0000229800000000, 0.0004404400000000 ] - [ -0.0007421800000000, -0.0000700100000000, 0.0004448200000000 ] - [ -0.0005218000000000, 0.0027311800000000, 0.0008790100000000 ] - [ 0.0004178100000000, 0.0001995200000000, -0.0001870900000000 ] - [ 0.0011458000000000, 0.0015069000000000, -0.0006477800000000 ] - [ 0.0001696200000000, 0.0000068700000000, 0.0004775600000000 ] - [ -0.0000247900000000, 0.0003679800000000, -0.0002174400000000 ] - [ -0.0002915400000000, 0.0014731900000000, 0.0003976500000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000138400000000, 0.0002678600000000, 0.0003146100000000 ] - [ 0.0002908700000000, 0.0002861600000000, 0.0003936600000000 ] - [ 0.0000903600000000, -0.0000832400000000, -0.0002307800000000 ] - [ -0.0001993800000000, -0.0000197000000000, 0.0000562900000000 ] - [ -0.0000943700000000, 0.0001355100000000, -0.0001319100000000 ] - [ -0.0006511900000000, 0.0001424400000000, 0.0000843800000000 ] - [ -0.0004441600000000, -0.0000376300000000, 0.0001906500000000 ] - [ 0.0000716700000000, 0.0001369700000000, -0.0000570600000000 ] - [ -0.0000062500000000, 0.0007573200000000, 0.0000005700000000 ] - [ 0.0001339200000000, -0.0001458100000000, 0.0000751500000000 ] - [ 0.0008998500000000, -0.0023278300000000, -0.0002205600000000 ] - [ 0.0001430400000000, 0.0000006400000000, -0.0001787000000000 ] - [ -0.0000720100000000, 0.0002988500000000, 0.0003261100000000 ] - [ 0.0000703300000000, 0.0002634200000000, -0.0001123400000000 ] - [ -0.0001143600000000, -0.0002140700000000, 0.0003373500000000 ] - [ 0.0000626100000000, -0.0000128400000000, -0.0003452100000000 ] - [ -0.0003501500000000, 0.0000096800000000, -0.0001399900000000 ] - [ -0.0001496600000000, 0.0000960600000000, -0.0000176700000000 ] - [ 0.0003545900000000, -0.0000066600000000, -0.0002594000000000 ] - [ 0.0002137500000000, 0.0001211900000000, -0.0000045500000000 ] - [ 0.0000426900000000, -0.0000948200000000, 0.0001446100000000 ] - [ -0.0007266700000000, -0.0000635600000000, 0.0002162800000000 ] - [ -0.0001801400000000, -0.0001013200000000, 0.0000263500000000 ] - [ -0.0002004500000000, 0.0001366000000000, 0.0000924800000000 ] - [ 0.0000759800000000, -0.0001784900000000, -0.0000919400000000 ] - [ 0.0001064100000000, -0.0003475600000000, 0.0001460200000000 ] - [ 0.0017390000000000, -0.0006435800000000, -0.0006923600000000 ] - [ -0.0001236200000000, -0.0004028400000000, 0.0003919100000000 ] - [ 0.0002160100000000, 0.0001780800000000, -0.0000003800000000 ] - [ -0.0000976400000000, -0.0002200500000000, -0.0001682300000000 ] - [ 0.0001107300000000, 0.0002454700000000, -0.0001820200000000 ] - [ 0.0000624400000000, 0.0000420600000000, -0.0000595800000000 ] - [ 0.0005725500000000, -0.0004733100000000, -0.0001033200000000 ] - [ -0.0004076400000000, -0.0001323700000000, 0.0000242600000000 ] - [ -0.0005092600000000, 0.0000933000000000, -0.0000043200000000 ] - [ -0.0002769500000000, 0.0001512000000000, 0.0000447200000000 ] - [ 0.0005137500000000, 0.0000397100000000, 0.0002241100000000 ] - [ -0.0001604600000000, 0.0004988300000000, -0.0001027300000000 ] - [ -0.0084566900000000, -0.0103140200000000, -0.0088837300000000 ] - [ 0.0000736900000000, -0.0001977800000000, -0.0000063300000000 ] - [ -0.0021018700000000, -0.0034142100000000, 0.0038156200000000 ] - [ 0.0019401200000000, 0.0015056500000000, 0.0002645800000000 ] - [ 0.0001406200000000, 0.0002852600000000, 0.0001885000000000 ] - [ -0.0065420800000000, -0.0427670900000000, 0.0108082100000000 ] - [ 0.0002337300000000, 0.0001246400000000, 0.0003437500000000 ] - [ 0.0002708900000000, -0.0001770800000000, 0.0003928100000000 ] - [ -0.0000425700000000, 0.0001329700000000, -0.0000318100000000 ] - [ 0.0007630700000000, 0.0002277500000000, 0.0006578600000000 ] - [ 0.0000202400000000, 0.0000451800000000, -0.0001617900000000 ] - [ 0.0000476500000000, -0.0003551500000000, -0.0000846100000000 ] - [ 0.0139010900000000, 0.0644530800000000, -0.0055079300000000 ] - [ 0.0000892200000000, -0.0008731200000000, 0.0010334600000000 ] - [ 0.0000112900000000, 0.0000222900000000, 0.0002415800000000 ] - [ -0.0002621700000000, 0.0000535600000000, 0.0001862700000000 ] - [ 0.0000111100000000, 0.0000985100000000, 0.0003799900000000 ] - [ -0.0000948000000000, -0.0000881900000000, 0.0001300000000000 ] - [ 0.0005314900000000, -0.0001754700000000, 0.0001139900000000 ] - [ -0.0002250100000000, -0.0001527200000000, -0.0003652700000000 ] - [ -0.0013528900000000, -0.0009474200000000, -0.0023046000000000 ] - [ -0.0001051900000000, -0.0001054100000000, 0.0001005700000000 ] - [ 0.0006196300000000, 0.0012605600000000, 0.0004309900000000 ] - [ -0.0009636000000000, -0.0006849500000000, 0.0001061700000000 ] - [ 0.0001149900000000, -0.0003671800000000, 0.0001844600000000 ] - [ 0.0001771800000000, -0.0001002400000000, 0.0001632500000000 ] - [ 0.0001468300000000, -0.0003613400000000, 0.0005831700000000 ] - [ 0.0000391200000000, 0.0000705100000000, 0.0001257900000000 ] - [ 0.0001295800000000, -0.0000234800000000, -0.0005810400000000 ] - [ -0.0000206300000000, 0.0001294500000000, -0.0002633400000000 ] - [ -0.0002387900000000, -0.0002841100000000, -0.0001705900000000 ] - [ 0.0010184000000000, -0.0002470300000000, -0.0004479700000000 ] - [ -0.0001929600000000, -0.0000033300000000, 0.0001145200000000 ] - [ -0.0004159500000000, 0.0002355500000000, -0.0001466400000000 ] - [ -0.0000080400000000, 0.0001020800000000, -0.0001432000000000 ] - [ 0.0000327700000000, 0.0000872600000000, -0.0001286600000000 ] - [ -0.0003061700000000, -0.0006923300000000, 0.0003066300000000 ] - [ 0.0004147900000000, 0.0000936000000000, 0.0000939700000000 ] - [ 0.0000112000000000, 0.0002326300000000, 0.0000064800000000 ] - [ -0.0000970300000000, 0.0003867600000000, 0.0001166500000000 ] - [ -0.0000430100000000, -0.0005225200000000, -0.0001685800000000 ] - [ -0.0000416300000000, -0.0002776000000000, -0.0000984400000000 ] - [ -0.0000219200000000, -0.0000842000000000, -0.0000649300000000 ] - [ 0.0008971600000000, 0.0006001100000000, 0.0002243100000000 ] - [ -0.0003409700000000, -0.0030850300000000, -0.0010685600000000 ] - [ 0.0000672700000000, -0.0003253200000000, -0.0002057000000000 ] - [ -0.0012518600000000, -0.0009416000000000, 0.0007923800000000 ] - [ 0.0001795000000000, -0.0003491300000000, 0.0001430000000000 ] - [ -0.0003234900000000, -0.0000233600000000, -0.0004041700000000 ] - [ 0.0005743500000000, -0.0006026500000000, -0.0007975400000000 ]- atom: 51 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ -0.0000921400000000, 0.0002406900000000, 0.0002993700000000 ] - [ 0.0005032200000000, -0.0001478400000000, 0.0007530400000000 ] - [ 0.0000962400000000, -0.0000694500000000, -0.0005994000000000 ] - [ -0.0002439200000000, 0.0000012400000000, 0.0000602400000000 ] - [ 0.0000771000000000, 0.0005652400000000, 0.0003354700000000 ] - [ -0.0002370200000000, -0.0002185900000000, 0.0000398500000000 ] - [ -0.0002296600000000, -0.0000541600000000, 0.0001564900000000 ] - [ 0.0002177200000000, 0.0001157700000000, 0.0000174500000000 ] - [ -0.0003098900000000, 0.0007022600000000, 0.0002522000000000 ] - [ 0.0001272600000000, -0.0001078900000000, 0.0002418300000000 ] - [ 0.0003052900000000, 0.0007647900000000, -0.0001017600000000 ] - [ 0.0002109800000000, 0.0000372500000000, -0.0002902900000000 ] - [ -0.0002293400000000, -0.0000657600000000, 0.0000249600000000 ] - [ 0.0001118700000000, 0.0002505800000000, 0.0001025600000000 ] - [ 0.0000722100000000, -0.0002282800000000, 0.0000042300000000 ] - [ 0.0000297200000000, 0.0000848500000000, -0.0003694800000000 ] - [ -0.0000411000000000, 0.0000729100000000, -0.0004159100000000 ] - [ -0.0001395200000000, 0.0000559500000000, -0.0001886500000000 ] - [ 0.0004575800000000, -0.0000001900000000, -0.0005415000000000 ] - [ 0.0002047400000000, 0.0001063700000000, -0.0000718800000000 ] - [ -0.0001706800000000, -0.0000262200000000, 0.0003953000000000 ] - [ -0.0009926900000000, 0.0000605400000000, 0.0006457900000000 ] - [ -0.0002226800000000, -0.0000843200000000, -0.0000861200000000 ] - [ -0.0003071600000000, 0.0000409100000000, -0.0002771800000000 ] - [ 0.0001829000000000, -0.0002180800000000, -0.0001318300000000 ] - [ 0.0002066600000000, -0.0002998500000000, 0.0001130400000000 ] - [ -0.0025532900000000, 0.0002976600000000, 0.0023417900000000 ] - [ -0.0002407600000000, -0.0004468200000000, -0.0000439700000000 ] - [ 0.0002584400000000, 0.0002641700000000, 0.0000219200000000 ] - [ -0.0003749700000000, 0.0000476400000000, 0.0002300400000000 ] - [ -0.0000893800000000, 0.0002471100000000, -0.0003130800000000 ] - [ 0.0000261100000000, -0.0000799200000000, -0.0000899000000000 ] - [ 0.0000671500000000, 0.0003379800000000, 0.0001542900000000 ] - [ -0.0003716500000000, -0.0001180700000000, 0.0001845200000000 ] - [ -0.0004233700000000, 0.0000540800000000, -0.0003249000000000 ] - [ -0.0000364700000000, 0.0000331800000000, -0.0004371100000000 ] - [ 0.0002770600000000, -0.0001108600000000, 0.0003040500000000 ] - [ -0.0001385300000000, 0.0004216300000000, -0.0003908000000000 ] - [ 0.0168215100000000, 0.0055063200000000, 0.0275857100000000 ] - [ 0.0005057700000000, -0.0002210200000000, -0.0002753000000000 ] - [ 0.0006989500000000, 0.0002711800000000, 0.0012769100000000 ] - [ 0.0037528500000000, 0.0035181300000000, -0.0000780800000000 ] - [ 0.0000578600000000, 0.0001026300000000, 0.0002619800000000 ] - [ -0.0021851400000000, -0.0115665000000000, 0.0080675800000000 ] - [ 0.0001230000000000, 0.0001275000000000, 0.0001297500000000 ] - [ 0.0002344500000000, 0.0002383700000000, -0.0004446000000000 ] - [ -0.0000549800000000, 0.0000174500000000, -0.0002470700000000 ] - [ 0.0004006100000000, -0.0003823600000000, 0.0000923500000000 ] - [ 0.0000459100000000, 0.0000636600000000, -0.0000439900000000 ] - [ -0.0001286600000000, -0.0002268000000000, 0.0001634600000000 ] - [ -0.0156844000000000, 0.0065559600000000, -0.0457874800000000 ] - [ 0.0005256600000000, -0.0012592400000000, 0.0016201000000000 ] - [ -0.0002696700000000, -0.0001693100000000, 0.0003830200000000 ] - [ -0.0001492200000000, 0.0000780200000000, 0.0000851600000000 ] - [ -0.0000335700000000, -0.0004297700000000, 0.0011159000000000 ] - [ 0.0000346800000000, -0.0000558100000000, 0.0000669000000000 ] - [ 0.0005893900000000, -0.0003769600000000, -0.0000828300000000 ] - [ -0.0001569500000000, -0.0001198100000000, -0.0001326000000000 ] - [ -0.0000552000000000, 0.0011748700000000, 0.0005701000000000 ] - [ 0.0000455900000000, -0.0000004100000000, -0.0001120600000000 ] - [ 0.0006966200000000, 0.0000030200000000, -0.0006575300000000 ] - [ -0.0000579900000000, -0.0001789600000000, -0.0003571700000000 ] - [ -0.0000449900000000, -0.0003153900000000, 0.0005381400000000 ] - [ 0.0002971400000000, -0.0001535500000000, 0.0003612500000000 ] - [ -0.0001120500000000, -0.0008999300000000, 0.0002390700000000 ] - [ -0.0000117000000000, 0.0000032800000000, 0.0003070700000000 ] - [ 0.0001812000000000, -0.0005158200000000, 0.0004142800000000 ] - [ -0.0000577200000000, 0.0001677200000000, -0.0002502300000000 ] - [ -0.0002203300000000, -0.0001161400000000, -0.0001418300000000 ] - [ -0.0000808400000000, 0.0002124100000000, -0.0002241200000000 ] - [ -0.0002383800000000, -0.0000011500000000, 0.0003171500000000 ] - [ -0.0005062900000000, 0.0002285800000000, 0.0001962700000000 ] - [ -0.0000734700000000, 0.0001932900000000, 0.0000655700000000 ] - [ -0.0001265200000000, 0.0000370800000000, -0.0003300000000000 ] - [ -0.0004476300000000, -0.0006785700000000, 0.0002319700000000 ] - [ 0.0004479300000000, 0.0001626600000000, 0.0001669200000000 ] - [ 0.0002156000000000, 0.0001913800000000, -0.0000583500000000 ] - [ -0.0000229500000000, 0.0005151400000000, 0.0003249100000000 ] - [ -0.0001768500000000, -0.0002022200000000, 0.0003932200000000 ] - [ 0.0003863900000000, -0.0002957300000000, 0.0001114300000000 ] - [ -0.0000831300000000, 0.0001141700000000, 0.0011679300000000 ] - [ 0.0006424500000000, -0.0022939500000000, 0.0014131900000000 ] - [ -0.0003973600000000, 0.0000636700000000, -0.0002925500000000 ] - [ 0.0002017300000000, -0.0000317900000000, -0.0003378900000000 ] - [ -0.0016534600000000, -0.0020745400000000, 0.0004651400000000 ] - [ 0.0001747300000000, -0.0003389000000000, 0.0004809900000000 ] - [ -0.0001242100000000, 0.0000873400000000, -0.0004339900000000 ] - [ 0.0000856200000000, 0.0007443100000000, -0.0003304300000000 ]- atom: 51 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0000730100000000, 0.0002525600000000, 0.0002628000000000 ] - [ -0.0003575200000000, 0.0002836300000000, -0.0007057300000000 ] - [ 0.0003579000000000, -0.0000951400000000, 0.0005832600000000 ] - [ -0.0001767600000000, -0.0000040500000000, 0.0001673600000000 ] - [ -0.0001314100000000, -0.0005142900000000, -0.0000891700000000 ] - [ -0.0002319800000000, -0.0000698700000000, -0.0000551800000000 ] - [ -0.0001888800000000, 0.0000581700000000, 0.0000704700000000 ] - [ -0.0000947500000000, -0.0002473700000000, 0.0000061900000000 ] - [ -0.0001085900000000, -0.0002662100000000, 0.0000255300000000 ] - [ 0.0003070400000000, -0.0001009600000000, -0.0002210600000000 ] - [ 0.0001169400000000, -0.0007824900000000, -0.0001406600000000 ] - [ -0.0001564200000000, 0.0000149700000000, 0.0000448500000000 ] - [ -0.0002080300000000, -0.0001438800000000, -0.0000447900000000 ] - [ 0.0003431300000000, -0.0000867300000000, -0.0001219400000000 ] - [ -0.0001278800000000, 0.0001776200000000, 0.0002410300000000 ] - [ 0.0001383500000000, -0.0005796000000000, -0.0001905500000000 ] - [ -0.0003938700000000, 0.0001358800000000, 0.0003968400000000 ] - [ 0.0000140700000000, 0.0000747600000000, 0.0001636600000000 ] - [ -0.0000383100000000, -0.0000034200000000, 0.0003169400000000 ] - [ 0.0002307900000000, 0.0001045500000000, 0.0000908900000000 ] - [ -0.0002825300000000, 0.0001891700000000, -0.0003759700000000 ] - [ 0.0011217000000000, 0.0004327700000000, -0.0011926100000000 ] - [ -0.0002315800000000, -0.0000781200000000, 0.0001038600000000 ] - [ -0.0001632600000000, 0.0002478900000000, 0.0002593900000000 ] - [ 0.0002326800000000, -0.0002180200000000, -0.0001456200000000 ] - [ -0.0003724100000000, -0.0001936100000000, 0.0004432200000000 ] - [ 0.0030928700000000, -0.0005895800000000, -0.0023564500000000 ] - [ -0.0001764400000000, 0.0000123200000000, 0.0003264100000000 ] - [ 0.0002138800000000, 0.0000230600000000, -0.0000081100000000 ] - [ 0.0002507700000000, -0.0001794900000000, -0.0002506000000000 ] - [ 0.0005071300000000, 0.0001898200000000, 0.0000266300000000 ] - [ 0.0000316200000000, 0.0000285300000000, -0.0001550800000000 ] - [ -0.0000412100000000, -0.0003067100000000, -0.0002264000000000 ] - [ -0.0004386900000000, 0.0000536900000000, -0.0003341600000000 ] - [ -0.0003879700000000, 0.0000101200000000, 0.0001764200000000 ] - [ -0.0004117800000000, -0.0001256200000000, -0.0000031500000000 ] - [ 0.0001804700000000, -0.0002529100000000, 0.0002569500000000 ] - [ -0.0003191100000000, -0.0000621000000000, -0.0001692000000000 ] - [ -0.0180587700000000, -0.0060929900000000, -0.0288323200000000 ] - [ -0.0005279400000000, 0.0001933000000000, 0.0003455400000000 ] - [ -0.0007178400000000, -0.0002252100000000, -0.0012181800000000 ] - [ -0.0029741100000000, -0.0035823500000000, 0.0001810200000000 ] - [ 0.0003896400000000, -0.0000164900000000, 0.0001739900000000 ] - [ 0.0017144300000000, 0.0114486200000000, -0.0084852900000000 ] - [ 0.0003329800000000, 0.0002421800000000, 0.0004245700000000 ] - [ 0.0002143800000000, -0.0003176700000000, 0.0008794400000000 ] - [ 0.0000793000000000, -0.0000529000000000, 0.0001693800000000 ] - [ 0.0004100400000000, 0.0004469400000000, 0.0000612500000000 ] - [ -0.0000929800000000, -0.0001250300000000, -0.0003233100000000 ] - [ 0.0001516600000000, -0.0000341600000000, -0.0003116900000000 ] - [ 0.0167869200000000, -0.0057369500000000, 0.0471816600000000 ] - [ -0.0002382700000000, 0.0004028500000000, -0.0020620200000000 ] - [ 0.0007618000000000, 0.0002950600000000, -0.0007885100000000 ] - [ -0.0003369600000000, 0.0000476100000000, 0.0003125700000000 ] - [ 0.0000857100000000, 0.0006883000000000, -0.0007670800000000 ] - [ 0.0002453100000000, 0.0002169300000000, 0.0002358300000000 ] - [ 0.0002767600000000, 0.0000738500000000, 0.0002566900000000 ] - [ -0.0001838000000000, -0.0002178100000000, -0.0004870700000000 ] - [ -0.0002460900000000, -0.0010371300000000, -0.0008930600000000 ] - [ -0.0000699400000000, 0.0002643700000000, 0.0002587600000000 ] - [ -0.0006682400000000, 0.0002589100000000, 0.0005128700000000 ] - [ 0.0000039700000000, -0.0000874700000000, 0.0000093800000000 ] - [ 0.0001942000000000, -0.0002171600000000, 0.0001480600000000 ] - [ -0.0000165900000000, -0.0000087600000000, -0.0000614500000000 ] - [ 0.0001554400000000, 0.0009791000000000, 0.0001161800000000 ] - [ -0.0000091700000000, -0.0002678700000000, -0.0001605100000000 ] - [ -0.0003192400000000, -0.0000175000000000, -0.0010902500000000 ] - [ -0.0000906100000000, 0.0003638800000000, -0.0004376200000000 ] - [ -0.0000601100000000, -0.0000434800000000, -0.0001619000000000 ] - [ 0.0001327500000000, -0.0004693100000000, 0.0005750100000000 ] - [ -0.0002477300000000, -0.0001251300000000, 0.0000779700000000 ] - [ -0.0003582600000000, 0.0000730200000000, -0.0003713100000000 ] - [ 0.0000222600000000, 0.0000673600000000, -0.0004132200000000 ] - [ 0.0000790100000000, 0.0000260300000000, -0.0000397900000000 ] - [ 0.0001573300000000, -0.0001830100000000, 0.0001833800000000 ] - [ 0.0004151400000000, 0.0001397700000000, 0.0000111000000000 ] - [ -0.0001083300000000, 0.0003928000000000, -0.0000761900000000 ] - [ -0.0002685400000000, 0.0003448800000000, 0.0000893100000000 ] - [ 0.0000690100000000, -0.0003808900000000, -0.0002599200000000 ] - [ -0.0002722700000000, -0.0002878300000000, -0.0002444300000000 ] - [ 0.0001270500000000, -0.0001754600000000, -0.0007872100000000 ] - [ -0.0004767900000000, 0.0027889800000000, -0.0006930200000000 ] - [ -0.0004646200000000, -0.0003559900000000, 0.0001189400000000 ] - [ 0.0002820400000000, -0.0000933900000000, -0.0000635500000000 ] - [ 0.0015341600000000, 0.0026432300000000, -0.0003339600000000 ] - [ 0.0001685000000000, 0.0000024300000000, 0.0001405100000000 ] - [ -0.0002193100000000, 0.0002507400000000, -0.0001871200000000 ] - [ 0.0002097600000000, 0.0001114400000000, -0.0000897400000000 ]- atom: 52 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ 0.0000954900000000, 0.0001865400000000, 0.0002570000000000 ] - [ 0.0000414900000000, 0.0000499400000000, -0.0000399500000000 ] - [ -0.0004069700000000, -0.0001144700000000, -0.0001581000000000 ] - [ -0.0003296300000000, -0.0000158900000000, 0.0000888800000000 ] - [ -0.0000431400000000, 0.0000555100000000, 0.0001365700000000 ] - [ -0.0003654100000000, -0.0001394000000000, 0.0000127300000000 ] - [ -0.0004243900000000, 0.0001470800000000, 0.0001961300000000 ] - [ -0.0000339100000000, -0.0005857000000000, -0.0000626400000000 ] - [ -0.0001342800000000, 0.0002191300000000, 0.0001524000000000 ] - [ 0.0002285200000000, -0.0000908400000000, -0.0001447900000000 ] - [ 0.0001226100000000, 0.0000191500000000, -0.0002890100000000 ] - [ -0.0005787800000000, -0.0000117600000000, 0.0003008600000000 ] - [ -0.0001627500000000, -0.0001538400000000, 0.0000346500000000 ] - [ 0.0004223500000000, 0.0001736600000000, 0.0001264100000000 ] - [ -0.0001403500000000, 0.0005401700000000, 0.0001432000000000 ] - [ 0.0004766900000000, 0.0005648700000000, -0.0001623700000000 ] - [ -0.0000609400000000, 0.0000630700000000, 0.0000229500000000 ] - [ -0.0001847900000000, 0.0000613700000000, -0.0000796800000000 ] - [ 0.0074410800000000, 0.0005083200000000, -0.0032420400000000 ] - [ 0.0000675300000000, 0.0001843200000000, -0.0001024100000000 ] - [ -0.0000898100000000, 0.0000805300000000, 0.0000948200000000 ] - [ 0.0002412500000000, 0.0002685100000000, -0.0002255000000000 ] - [ -0.0001143700000000, -0.0001570000000000, 0.0000753700000000 ] - [ -0.0003761000000000, 0.0000962500000000, 0.0000115000000000 ] - [ 0.0002059200000000, -0.0002390900000000, -0.0002161300000000 ] - [ -0.0000703100000000, -0.0002242300000000, 0.0001100100000000 ] - [ 0.0000237100000000, -0.0000759800000000, -0.0009233900000000 ] - [ 0.0001746000000000, -0.0011966400000000, 0.0002862700000000 ] - [ 0.0001521800000000, 0.0002195700000000, 0.0000333300000000 ] - [ -0.0001501300000000, -0.0000988400000000, -0.0000724900000000 ] - [ 0.0046448400000000, 0.0001327400000000, -0.0030262000000000 ] - [ -0.0000142800000000, -0.0000097500000000, -0.0001806600000000 ] - [ -0.0001198600000000, -0.0004116300000000, 0.0000252000000000 ] - [ -0.0005858800000000, -0.0000373200000000, -0.0001062200000000 ] - [ -0.0011929800000000, 0.0000939500000000, -0.0007041700000000 ] - [ 0.0001606000000000, -0.0002276000000000, -0.0006839400000000 ] - [ 0.0004115900000000, -0.0002508700000000, 0.0005165200000000 ] - [ 0.0007072200000000, 0.0003613100000000, -0.0001160000000000 ] - [ 0.0010765100000000, 0.0003407000000000, -0.0002376200000000 ] - [ 0.0000888800000000, 0.0006043800000000, 0.0002367900000000 ] - [ 0.0000152300000000, -0.0000076200000000, 0.0000862700000000 ] - [ 0.0316928100000000, 0.0063131900000000, 0.0298114100000000 ] - [ -0.0009907200000000, -0.0004710600000000, 0.0000663300000000 ] - [ 0.0000283500000000, 0.0001850000000000, -0.0002909200000000 ] - [ -0.0003963300000000, 0.0004476900000000, 0.0003691900000000 ] - [ 0.0003757600000000, -0.0000814600000000, 0.0001094500000000 ] - [ -0.0005470100000000, 0.0001899100000000, -0.0001077100000000 ] - [ 0.0002999300000000, 0.0000870800000000, 0.0000206800000000 ] - [ 0.0001847800000000, 0.0000836200000000, -0.0000241500000000 ] - [ -0.0002215700000000, -0.0008555400000000, 0.0005230900000000 ] - [ -0.0001113500000000, 0.0002363900000000, 0.0006644100000000 ] - [ -0.0504431200000000, -0.0092438800000000, -0.0283851900000000 ] - [ 0.0056121500000000, -0.0002262600000000, 0.0035523600000000 ] - [ -0.0001494300000000, 0.0000762100000000, 0.0002468300000000 ] - [ 0.0002394600000000, -0.0001394300000000, 0.0000884300000000 ] - [ 0.0002184300000000, 0.0001651000000000, 0.0001789300000000 ] - [ 0.0011043600000000, 0.0001170400000000, 0.0001993400000000 ] - [ -0.0000301700000000, -0.0002196500000000, -0.0001799600000000 ] - [ -0.0002789900000000, -0.0001271600000000, -0.0001241700000000 ] - [ -0.0001446100000000, 0.0002022300000000, -0.0000185400000000 ] - [ -0.0006548800000000, 0.0001157100000000, -0.0005811000000000 ] - [ 0.0001262400000000, 0.0001523200000000, -0.0001356700000000 ] - [ 0.0000672900000000, -0.0002826500000000, 0.0003773200000000 ] - [ 0.0001027400000000, -0.0004403300000000, 0.0000345600000000 ] - [ -0.0008440300000000, 0.0006345200000000, 0.0010241600000000 ] - [ 0.0010022200000000, 0.0009571300000000, 0.0010462100000000 ] - [ 0.0000296500000000, -0.0002144200000000, -0.0001062800000000 ] - [ 0.0002465600000000, 0.0004332000000000, -0.0004435200000000 ] - [ -0.0002732600000000, -0.0002094500000000, -0.0002163500000000 ] - [ 0.0000547900000000, -0.0003532100000000, 0.0003791600000000 ] - [ 0.0003223000000000, -0.0001741300000000, 0.0001953700000000 ] - [ -0.0006761900000000, -0.0004576000000000, -0.0002929300000000 ] - [ 0.0004834100000000, 0.0002506100000000, -0.0003229500000000 ] - [ 0.0000129000000000, 0.0000068200000000, -0.0001907800000000 ] - [ -0.0000630000000000, -0.0003335400000000, 0.0002728900000000 ] - [ 0.0005255200000000, 0.0000654400000000, 0.0001113100000000 ] - [ 0.0014902800000000, 0.0003113400000000, -0.0000175700000000 ] - [ 0.0009725900000000, 0.0015734200000000, 0.0001606000000000 ] - [ -0.0003086000000000, -0.0003049000000000, 0.0000852500000000 ] - [ 0.0001227500000000, -0.0002996700000000, -0.0000007600000000 ] - [ -0.0001427600000000, -0.0001357700000000, 0.0000709100000000 ] - [ 0.0000131300000000, 0.0001893000000000, 0.0003521200000000 ] - [ -0.0004213000000000, -0.0000901800000000, -0.0000830500000000 ] - [ 0.0001865500000000, -0.0001067600000000, -0.0001349200000000 ] - [ -0.0002315500000000, 0.0003367000000000, 0.0000593800000000 ] - [ -0.0000362200000000, 0.0002663000000000, 0.0002370400000000 ] - [ 0.0002372900000000, 0.0000127900000000, -0.0005883000000000 ] - [ -0.0000063600000000, 0.0004353700000000, -0.0001664700000000 ]- atom: 52 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0002641200000000, 0.0003068600000000, 0.0003043500000000 ] - [ 0.0000854300000000, 0.0000820300000000, 0.0000649000000000 ] - [ 0.0008571300000000, -0.0000544400000000, 0.0001546300000000 ] - [ -0.0000907100000000, 0.0000130200000000, 0.0001397500000000 ] - [ -0.0000131300000000, -0.0000048500000000, 0.0001075200000000 ] - [ -0.0001032000000000, -0.0001487200000000, -0.0000299800000000 ] - [ 0.0000032800000000, -0.0001456700000000, 0.0000315000000000 ] - [ 0.0001600700000000, 0.0004518700000000, 0.0000855400000000 ] - [ -0.0002836200000000, 0.0002169300000000, 0.0001234000000000 ] - [ 0.0002095100000000, -0.0001162500000000, 0.0001622900000000 ] - [ 0.0002997100000000, -0.0000162300000000, 0.0000614200000000 ] - [ 0.0006313800000000, 0.0000634500000000, -0.0005402600000000 ] - [ -0.0002764400000000, -0.0000543300000000, -0.0000518000000000 ] - [ 0.0000304000000000, -0.0000103300000000, -0.0001442200000000 ] - [ 0.0000865700000000, -0.0005898800000000, 0.0001021000000000 ] - [ -0.0003169100000000, -0.0010769400000000, -0.0003984800000000 ] - [ -0.0003797700000000, 0.0001428000000000, -0.0000412100000000 ] - [ 0.0000614500000000, 0.0000691400000000, 0.0000561300000000 ] - [ -0.0067777900000000, -0.0004877800000000, 0.0028648900000000 ] - [ 0.0003712400000000, 0.0000238000000000, 0.0001210100000000 ] - [ -0.0003649500000000, 0.0000832600000000, -0.0000781100000000 ] - [ -0.0000765400000000, 0.0002248300000000, -0.0003313800000000 ] - [ -0.0003409700000000, -0.0000035200000000, -0.0000594800000000 ] - [ -0.0000920900000000, 0.0001928100000000, -0.0000284300000000 ] - [ 0.0002109100000000, -0.0001965300000000, -0.0000596100000000 ] - [ -0.0000949000000000, -0.0002703100000000, 0.0004479200000000 ] - [ 0.0004477800000000, -0.0002129200000000, 0.0009373500000000 ] - [ -0.0006041700000000, 0.0007774500000000, -0.0000062800000000 ] - [ 0.0003190400000000, 0.0000684500000000, -0.0000160400000000 ] - [ 0.0000265500000000, -0.0000336400000000, 0.0000482400000000 ] - [ -0.0044223700000000, 0.0003001900000000, 0.0028765300000000 ] - [ 0.0000713500000000, -0.0000405900000000, -0.0000640300000000 ] - [ 0.0001395300000000, 0.0004364400000000, -0.0001017500000000 ] - [ -0.0002256600000000, -0.0000198600000000, -0.0000341900000000 ] - [ 0.0003804200000000, -0.0000371300000000, 0.0005631200000000 ] - [ -0.0006098600000000, 0.0001461000000000, 0.0002478600000000 ] - [ 0.0000471000000000, -0.0001178900000000, 0.0000310000000000 ] - [ -0.0011731800000000, 0.0000077200000000, -0.0004380100000000 ] - [ -0.0015424700000000, -0.0007121800000000, -0.0003060100000000 ] - [ -0.0001092900000000, -0.0006364800000000, -0.0001683400000000 ] - [ -0.0000278000000000, 0.0000372800000000, -0.0000111600000000 ] - [ -0.0303736800000000, -0.0061511000000000, -0.0287241400000000 ] - [ 0.0014441300000000, 0.0005593200000000, 0.0003742600000000 ] - [ -0.0004790600000000, -0.0001046800000000, -0.0001510800000000 ] - [ 0.0008675300000000, -0.0000829100000000, 0.0001790100000000 ] - [ 0.0000700500000000, 0.0000049700000000, 0.0003356500000000 ] - [ 0.0005664700000000, -0.0002171600000000, 0.0000239200000000 ] - [ 0.0005125900000000, -0.0000196600000000, 0.0001201200000000 ] - [ -0.0002327700000000, -0.0001469100000000, -0.0003451100000000 ] - [ 0.0002501200000000, 0.0005935500000000, -0.0006715400000000 ] - [ 0.0004588100000000, 0.0001057300000000, -0.0000407500000000 ] - [ 0.0501124300000000, 0.0081798200000000, 0.0269729900000000 ] - [ -0.0050231800000000, 0.0003478000000000, -0.0039023000000000 ] - [ -0.0003346300000000, 0.0000504000000000, 0.0001509800000000 ] - [ -0.0001899500000000, 0.0004009300000000, 0.0002605700000000 ] - [ 0.0000617900000000, -0.0000073300000000, 0.0001250800000000 ] - [ -0.0002382400000000, -0.0004170300000000, -0.0000212100000000 ] - [ -0.0003142800000000, -0.0001213800000000, -0.0004405000000000 ] - [ -0.0000069000000000, 0.0002863500000000, -0.0001818800000000 ] - [ 0.0001211700000000, 0.0000611200000000, 0.0001662500000000 ] - [ 0.0006770900000000, 0.0001477100000000, 0.0004353700000000 ] - [ -0.0001784400000000, -0.0004122700000000, -0.0002107100000000 ] - [ 0.0000806600000000, -0.0002488300000000, 0.0003090700000000 ] - [ 0.0001859100000000, 0.0002844800000000, 0.0002835000000000 ] - [ 0.0008881700000000, -0.0005715400000000, -0.0006567300000000 ] - [ -0.0010269700000000, -0.0012417000000000, -0.0009165000000000 ] - [ -0.0001787300000000, -0.0003168800000000, -0.0005823900000000 ] - [ -0.0003954600000000, 0.0000993200000000, -0.0002429800000000 ] - [ -0.0000074300000000, 0.0000510800000000, -0.0000884100000000 ] - [ -0.0000068700000000, 0.0000926900000000, -0.0000296800000000 ] - [ -0.0008067800000000, 0.0000489700000000, 0.0001994500000000 ] - [ -0.0001867900000000, 0.0007617100000000, 0.0001198600000000 ] - [ -0.0005373400000000, 0.0000070300000000, -0.0000211500000000 ] - [ -0.0000593900000000, 0.0000551100000000, -0.0001777600000000 ] - [ -0.0002309100000000, -0.0005275600000000, 0.0001385600000000 ] - [ 0.0003366000000000, 0.0002350700000000, 0.0000647500000000 ] - [ -0.0013930300000000, 0.0002695900000000, -0.0001188500000000 ] - [ -0.0012723200000000, -0.0007226900000000, 0.0002539800000000 ] - [ 0.0002063200000000, -0.0002803900000000, 0.0000481100000000 ] - [ -0.0000197200000000, -0.0002846100000000, -0.0001354600000000 ] - [ 0.0001872400000000, 0.0000670800000000, 0.0003089100000000 ] - [ 0.0001364000000000, 0.0003416200000000, 0.0003357000000000 ] - [ -0.0004421300000000, -0.0002094200000000, -0.0000939000000000 ] - [ 0.0002963800000000, -0.0000213500000000, -0.0002625500000000 ] - [ 0.0001288400000000, 0.0002482500000000, 0.0000769500000000 ] - [ 0.0003851000000000, -0.0006098900000000, 0.0003843600000000 ] - [ -0.0005888700000000, 0.0003344500000000, -0.0000291300000000 ] - [ 0.0003011400000000, 0.0004231800000000, -0.0002453600000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000765000000000, -0.0000257900000000, 0.0003143800000000 ] - [ 0.0000967000000000, 0.0001233100000000, 0.0000765900000000 ] - [ 0.0001226100000000, -0.0004246500000000, -0.0011643700000000 ] - [ -0.0001298300000000, 0.0000193100000000, 0.0000531900000000 ] - [ -0.0000685500000000, -0.0000192800000000, 0.0000487200000000 ] - [ -0.0002489900000000, -0.0001786300000000, -0.0000494900000000 ] - [ -0.0003449300000000, 0.0000064600000000, 0.0002372500000000 ] - [ -0.0002805900000000, 0.0000390700000000, 0.0001112300000000 ] - [ -0.0002045300000000, 0.0001720900000000, 0.0001223800000000 ] - [ 0.0001760000000000, -0.0000879200000000, 0.0000110300000000 ] - [ 0.0000670900000000, 0.0001533800000000, -0.0007134900000000 ] - [ 0.0000742600000000, 0.0000911500000000, -0.0000881400000000 ] - [ -0.0001190900000000, -0.0005747400000000, 0.0001022800000000 ] - [ 0.0005260900000000, 0.0001241500000000, -0.0002602800000000 ] - [ 0.0002246200000000, -0.0001417300000000, 0.0002236100000000 ] - [ 0.0003602100000000, 0.0056031200000000, -0.0001197900000000 ] - [ -0.0003536500000000, 0.0001072500000000, -0.0000709900000000 ] - [ -0.0000780300000000, -0.0000205900000000, 0.0000704200000000 ] - [ 0.0006780800000000, 0.0002737800000000, -0.0003700300000000 ] - [ 0.0003372700000000, 0.0000811600000000, 0.0001728200000000 ] - [ -0.0002468600000000, 0.0000280000000000, 0.0001048100000000 ] - [ 0.0000442900000000, 0.0003070300000000, -0.0002036300000000 ] - [ -0.0002132400000000, -0.0000291900000000, -0.0000722000000000 ] - [ -0.0001251100000000, 0.0001900300000000, -0.0000367000000000 ] - [ 0.0003016800000000, -0.0001542800000000, -0.0001025400000000 ] - [ -0.0000354500000000, -0.0003077500000000, 0.0004354500000000 ] - [ 0.0003045100000000, -0.0001397700000000, 0.0000101600000000 ] - [ -0.0010142600000000, 0.0061058800000000, -0.0004642800000000 ] - [ 0.0000778400000000, 0.0001203200000000, 0.0000894700000000 ] - [ -0.0000241500000000, -0.0000958000000000, -0.0000269200000000 ] - [ 0.0001613800000000, 0.0003919800000000, -0.0000200900000000 ] - [ 0.0000242200000000, -0.0000101600000000, -0.0001725700000000 ] - [ -0.0002338100000000, 0.0004636300000000, -0.0000783300000000 ] - [ -0.0002820700000000, -0.0001525700000000, -0.0000227500000000 ] - [ -0.0006477800000000, 0.0000289500000000, -0.0009893400000000 ] - [ -0.0000527800000000, -0.0005727800000000, -0.0003087300000000 ] - [ 0.0001608000000000, -0.0002047700000000, 0.0001485000000000 ] - [ -0.0002852200000000, -0.0001534900000000, 0.0002599000000000 ] - [ -0.0013359900000000, -0.0006551800000000, -0.0002011000000000 ] - [ -0.0005038900000000, -0.0010736900000000, 0.0001285800000000 ] - [ 0.0006727000000000, -0.0006678300000000, 0.0004233500000000 ] - [ 0.0076626200000000, 0.0071622000000000, 0.0080515100000000 ] - [ 0.0012145200000000, 0.0001554000000000, 0.0003970800000000 ] - [ -0.0005823200000000, -0.0000699700000000, -0.0003338700000000 ] - [ 0.0008248600000000, -0.0000972000000000, 0.0000320900000000 ] - [ 0.0003832000000000, -0.0001937000000000, 0.0001642000000000 ] - [ -0.0001125300000000, 0.0003616400000000, -0.0004080800000000 ] - [ 0.0002379200000000, 0.0003040400000000, 0.0000659700000000 ] - [ -0.0000300100000000, 0.0001565600000000, 0.0000189100000000 ] - [ -0.0001081700000000, 0.0002127000000000, -0.0008738600000000 ] - [ 0.0001852600000000, 0.0006104200000000, -0.0005203300000000 ] - [ -0.0085998300000000, -0.0217151800000000, -0.0079430400000000 ] - [ -0.0001838500000000, -0.0012318700000000, -0.0006833800000000 ] - [ -0.0002743100000000, 0.0000963700000000, 0.0002330800000000 ] - [ -0.0001762500000000, 0.0007204400000000, 0.0002128700000000 ] - [ 0.0002229400000000, 0.0001080100000000, 0.0002252700000000 ] - [ 0.0004642200000000, -0.0003612300000000, 0.0000688100000000 ] - [ -0.0002527900000000, -0.0001284500000000, -0.0002293400000000 ] - [ -0.0005989200000000, 0.0000205800000000, -0.0003983500000000 ] - [ -0.0000527600000000, 0.0002598900000000, 0.0000624800000000 ] - [ 0.0000482100000000, -0.0000455600000000, -0.0002895800000000 ] - [ -0.0000254400000000, -0.0004190800000000, -0.0002589700000000 ] - [ 0.0000596900000000, -0.0000356500000000, 0.0002460000000000 ] - [ 0.0003857300000000, -0.0002953300000000, 0.0006406100000000 ] - [ 0.0021758900000000, 0.0012718200000000, 0.0042621600000000 ] - [ -0.0003375700000000, -0.0005514300000000, -0.0001944700000000 ] - [ -0.0001251000000000, -0.0002119500000000, -0.0002793700000000 ] - [ -0.0002735800000000, 0.0002912900000000, -0.0004004400000000 ] - [ -0.0000884100000000, 0.0001231200000000, -0.0002388900000000 ] - [ -0.0000765000000000, -0.0000707200000000, 0.0002363200000000 ] - [ -0.0000115500000000, -0.0000018000000000, 0.0004392500000000 ] - [ -0.0000589600000000, 0.0014015800000000, 0.0001770200000000 ] - [ 0.0001606700000000, -0.0000099000000000, -0.0000438900000000 ] - [ -0.0000242600000000, 0.0001650400000000, -0.0002678600000000 ] - [ -0.0002426100000000, -0.0004834400000000, 0.0001776000000000 ] - [ 0.0003712900000000, 0.0001136800000000, 0.0000952600000000 ] - [ -0.0010598800000000, 0.0000731800000000, -0.0002135700000000 ] - [ 0.0009975800000000, 0.0013846200000000, 0.0003293400000000 ] - [ 0.0000214000000000, 0.0001121700000000, -0.0000018600000000 ] - [ -0.0000088600000000, -0.0002644700000000, -0.0000308800000000 ] - [ 0.0000375100000000, -0.0001946200000000, 0.0001189200000000 ] - [ 0.0000251500000000, 0.0002921000000000, 0.0002372700000000 ] - [ -0.0003520300000000, 0.0004072400000000, -0.0001424100000000 ] - [ 0.0003147400000000, -0.0001516600000000, -0.0002016500000000 ] - [ 0.0000273100000000, 0.0003468500000000, 0.0000153500000000 ] - [ 0.0006321400000000, 0.0008697600000000, 0.0000167700000000 ] - [ -0.0004418900000000, 0.0004333100000000, -0.0000757200000000 ] - [ 0.0001405000000000, 0.0003397300000000, -0.0001027300000000 ]- atom: 52 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000906400000000, 0.0005201600000000, 0.0002466200000000 ] - [ 0.0000267400000000, 0.0000093200000000, -0.0000539600000000 ] - [ 0.0003355000000000, 0.0002374400000000, 0.0011729000000000 ] - [ -0.0002930500000000, -0.0000225600000000, 0.0001759600000000 ] - [ 0.0000120100000000, 0.0000693700000000, 0.0001958100000000 ] - [ -0.0002205400000000, -0.0001101300000000, 0.0000318500000000 ] - [ -0.0000765100000000, -0.0000050200000000, -0.0000093000000000 ] - [ 0.0004042300000000, -0.0001695300000000, -0.0000882900000000 ] - [ -0.0002123500000000, 0.0002633100000000, 0.0001534000000000 ] - [ 0.0002622000000000, -0.0001188500000000, 0.0000066700000000 ] - [ 0.0003550200000000, -0.0001507100000000, 0.0004851000000000 ] - [ -0.0000182900000000, -0.0000392000000000, -0.0001577000000000 ] - [ -0.0003197100000000, 0.0003669200000000, -0.0001191300000000 ] - [ -0.0000715000000000, 0.0000390700000000, 0.0002441300000000 ] - [ -0.0002814500000000, 0.0000886800000000, 0.0000204500000000 ] - [ -0.0001873200000000, -0.0057958600000000, -0.0004393300000000 ] - [ -0.0000829300000000, 0.0000999500000000, 0.0000538700000000 ] - [ -0.0000465600000000, 0.0001512100000000, -0.0000938400000000 ] - [ -0.0002789500000000, -0.0002823800000000, 0.0001519000000000 ] - [ 0.0001004200000000, 0.0001263400000000, -0.0001558100000000 ] - [ -0.0002068500000000, 0.0001357500000000, -0.0000877500000000 ] - [ 0.0001207800000000, 0.0001868800000000, -0.0003519100000000 ] - [ -0.0002405800000000, -0.0001339900000000, 0.0000907100000000 ] - [ -0.0003450400000000, 0.0000987900000000, 0.0000194300000000 ] - [ 0.0001149900000000, -0.0002824200000000, -0.0001744600000000 ] - [ -0.0001308600000000, -0.0001853500000000, 0.0001168800000000 ] - [ 0.0001650700000000, -0.0001496000000000, 0.0000092700000000 ] - [ 0.0006089100000000, -0.0068495000000000, 0.0007457800000000 ] - [ 0.0003916300000000, 0.0001684300000000, -0.0000718300000000 ] - [ -0.0000999700000000, -0.0000366500000000, 0.0000033500000000 ] - [ 0.0002763600000000, 0.0000400900000000, -0.0002778700000000 ] - [ 0.0000328600000000, -0.0000404000000000, -0.0000712000000000 ] - [ 0.0002510900000000, -0.0004357300000000, 0.0000045600000000 ] - [ -0.0005328600000000, 0.0000929000000000, -0.0001226300000000 ] - [ -0.0001631200000000, 0.0000315800000000, 0.0008480600000000 ] - [ -0.0003952500000000, 0.0004922600000000, -0.0001338900000000 ] - [ 0.0003024400000000, -0.0001631500000000, 0.0004020000000000 ] - [ -0.0001683300000000, 0.0005225100000000, -0.0008103900000000 ] - [ 0.0008699000000000, 0.0002801600000000, -0.0003525200000000 ] - [ 0.0004892300000000, 0.0010510000000000, -0.0000576700000000 ] - [ -0.0006967400000000, 0.0006955300000000, -0.0003516400000000 ] - [ -0.0069203600000000, -0.0073429000000000, -0.0079906400000000 ] - [ -0.0007679700000000, -0.0000733900000000, 0.0000454900000000 ] - [ 0.0001350200000000, 0.0001505800000000, -0.0001068800000000 ] - [ -0.0003710800000000, 0.0004765300000000, 0.0005239900000000 ] - [ 0.0000661300000000, 0.0001177200000000, 0.0002745200000000 ] - [ 0.0001330800000000, -0.0003939600000000, 0.0003427200000000 ] - [ 0.0005745100000000, -0.0002473400000000, 0.0000763400000000 ] - [ -0.0000170900000000, -0.0002184300000000, -0.0003884000000000 ] - [ 0.0001294500000000, -0.0004874300000000, 0.0007320900000000 ] - [ 0.0001632000000000, -0.0002687300000000, 0.0011440700000000 ] - [ 0.0089336300000000, 0.0210267200000000, 0.0075589200000000 ] - [ 0.0006634900000000, 0.0013584900000000, 0.0002867000000000 ] - [ -0.0002090200000000, 0.0000300400000000, 0.0001644600000000 ] - [ 0.0002273600000000, -0.0004637900000000, 0.0001354800000000 ] - [ 0.0000591100000000, 0.0000510800000000, 0.0000798000000000 ] - [ 0.0003983600000000, 0.0000611800000000, 0.0001049600000000 ] - [ -0.0000880600000000, -0.0002165800000000, -0.0003906000000000 ] - [ 0.0003225400000000, 0.0001385500000000, 0.0000965700000000 ] - [ 0.0000276500000000, 0.0000031100000000, 0.0000840100000000 ] - [ -0.0000271200000000, 0.0003109900000000, 0.0001402800000000 ] - [ -0.0000243200000000, 0.0001579900000000, -0.0000899700000000 ] - [ 0.0000896300000000, -0.0004957400000000, 0.0004413900000000 ] - [ -0.0001072700000000, 0.0001426100000000, -0.0003447700000000 ] - [ -0.0021135000000000, -0.0011997000000000, -0.0038645000000000 ] - [ 0.0003271000000000, 0.0002854200000000, 0.0003548500000000 ] - [ -0.0000242600000000, -0.0003199700000000, -0.0004074900000000 ] - [ 0.0001244400000000, 0.0002388700000000, -0.0002859200000000 ] - [ -0.0001932000000000, -0.0002825600000000, -0.0000654400000000 ] - [ 0.0001261500000000, -0.0001878700000000, 0.0001125500000000 ] - [ -0.0004742900000000, -0.0001244500000000, -0.0000471800000000 ] - [ -0.0008075300000000, -0.0011100200000000, -0.0003547100000000 ] - [ -0.0002123100000000, 0.0002695500000000, -0.0003082900000000 ] - [ -0.0000218200000000, -0.0001037000000000, -0.0001000200000000 ] - [ -0.0000481100000000, -0.0003752400000000, 0.0002380300000000 ] - [ 0.0004914000000000, 0.0001848900000000, 0.0000808100000000 ] - [ 0.0011644500000000, 0.0005074500000000, 0.0000751700000000 ] - [ -0.0013007200000000, -0.0005346600000000, 0.0000821400000000 ] - [ -0.0001269300000000, -0.0006959000000000, 0.0001358500000000 ] - [ 0.0001129900000000, -0.0003213800000000, -0.0001057100000000 ] - [ 0.0000092200000000, 0.0001354700000000, 0.0002511400000000 ] - [ 0.0001239500000000, 0.0002400800000000, 0.0004511300000000 ] - [ -0.0005103000000000, -0.0007072400000000, -0.0000343200000000 ] - [ 0.0001684400000000, 0.0000255400000000, -0.0001954300000000 ] - [ -0.0001311200000000, 0.0002373900000000, 0.0001212600000000 ] - [ -0.0002799900000000, -0.0012075800000000, 0.0006002200000000 ] - [ 0.0000936000000000, -0.0000888500000000, -0.0005429500000000 ] - [ 0.0001514800000000, 0.0005205100000000, -0.0003093000000000 ]- atom: 52 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ -0.0001095900000000, 0.0001809500000000, 0.0003472800000000 ] - [ 0.0000752800000000, -0.0001186900000000, -0.0004133500000000 ] - [ 0.0006217400000000, -0.0010677800000000, 0.0025073400000000 ] - [ -0.0001873700000000, 0.0000320300000000, 0.0000585800000000 ] - [ -0.0000385600000000, 0.0001758900000000, -0.0000255100000000 ] - [ -0.0003244800000000, -0.0001392900000000, -0.0000061700000000 ] - [ -0.0002717500000000, 0.0000463400000000, 0.0001772800000000 ] - [ -0.0000627100000000, -0.0000509800000000, 0.0002418300000000 ] - [ -0.0001366100000000, 0.0003393500000000, 0.0000383000000000 ] - [ 0.0004519800000000, -0.0001114400000000, -0.0002416300000000 ] - [ 0.0001819400000000, -0.0000504100000000, -0.0005342000000000 ] - [ 0.0000038500000000, 0.0000422600000000, 0.0001275400000000 ] - [ -0.0001300800000000, -0.0001741200000000, 0.0001819800000000 ] - [ 0.0003987300000000, -0.0002128800000000, -0.0002183300000000 ] - [ -0.0001197600000000, -0.0000046800000000, 0.0003457800000000 ] - [ 0.0000323300000000, 0.0006651500000000, 0.0003721800000000 ] - [ -0.0001470400000000, -0.0000039300000000, -0.0002993700000000 ] - [ -0.0000712300000000, 0.0000439500000000, 0.0000463600000000 ] - [ -0.0025186100000000, -0.0004120100000000, 0.0017473100000000 ] - [ 0.0000567400000000, 0.0002072400000000, 0.0001664700000000 ] - [ -0.0000649800000000, 0.0003143600000000, 0.0000517300000000 ] - [ 0.0001194100000000, 0.0000572100000000, -0.0008829800000000 ] - [ -0.0002408700000000, 0.0000629200000000, 0.0000596600000000 ] - [ -0.0002057800000000, 0.0001035900000000, -0.0000939100000000 ] - [ 0.0001574500000000, -0.0002428800000000, -0.0003516900000000 ] - [ -0.0000087500000000, -0.0002648600000000, 0.0001230700000000 ] - [ 0.0001004900000000, -0.0001620500000000, 0.0000232100000000 ] - [ -0.0000882700000000, -0.0009473900000000, 0.0003790300000000 ] - [ 0.0002940400000000, 0.0001653500000000, 0.0000019700000000 ] - [ -0.0001670400000000, -0.0000848600000000, -0.0000619300000000 ] - [ -0.0036982200000000, 0.0003933300000000, 0.0029900200000000 ] - [ 0.0000527400000000, -0.0000259200000000, -0.0002553600000000 ] - [ -0.0001073600000000, -0.0002182100000000, -0.0001012100000000 ] - [ -0.0005153900000000, 0.0000450500000000, -0.0002931500000000 ] - [ -0.0005169400000000, -0.0000565200000000, 0.0002897100000000 ] - [ -0.0003992200000000, 0.0003823600000000, 0.0006084400000000 ] - [ 0.0002953000000000, -0.0002938700000000, 0.0002620300000000 ] - [ 0.0003395600000000, 0.0005656000000000, -0.0006361700000000 ] - [ 0.0031676400000000, 0.0025148600000000, 0.0007741400000000 ] - [ -0.0000280300000000, -0.0006411100000000, -0.0002579200000000 ] - [ -0.0006217900000000, 0.0002314100000000, 0.0000687300000000 ] - [ 0.0281416500000000, 0.0067260200000000, 0.0406263200000000 ] - [ 0.0004838600000000, 0.0001251600000000, 0.0003144800000000 ] - [ 0.0002405900000000, 0.0012293600000000, -0.0004817800000000 ] - [ -0.0000211800000000, -0.0001417700000000, 0.0001618900000000 ] - [ 0.0003159100000000, -0.0002402600000000, -0.0001268400000000 ] - [ -0.0002521400000000, 0.0005481400000000, -0.0008342700000000 ] - [ 0.0003988900000000, 0.0008878900000000, -0.0003121500000000 ] - [ -0.0000379700000000, -0.0000043000000000, -0.0003069400000000 ] - [ 0.0000477300000000, -0.0011917200000000, 0.0008183400000000 ] - [ 0.0001295400000000, -0.0010715700000000, 0.0021434600000000 ] - [ -0.0256869400000000, -0.0078860000000000, -0.0563261500000000 ] - [ 0.0000575900000000, 0.0000675100000000, -0.0010616100000000 ] - [ -0.0002510800000000, 0.0000187100000000, 0.0003264800000000 ] - [ -0.0002102700000000, 0.0001987800000000, 0.0004820400000000 ] - [ 0.0002422000000000, 0.0001975600000000, 0.0002515800000000 ] - [ 0.0002649100000000, -0.0000251200000000, -0.0000419100000000 ] - [ -0.0000880000000000, -0.0000798700000000, -0.0001937000000000 ] - [ 0.0000294300000000, -0.0006060300000000, -0.0001255900000000 ] - [ -0.0000962900000000, 0.0000951700000000, 0.0001092400000000 ] - [ -0.0005747700000000, -0.0002577600000000, 0.0011011300000000 ] - [ 0.0000017600000000, -0.0001351800000000, -0.0002683400000000 ] - [ 0.0000900800000000, -0.0002028900000000, 0.0000728000000000 ] - [ 0.0001293000000000, -0.0004986100000000, 0.0010813300000000 ] - [ 0.0012498900000000, 0.0013917900000000, 0.0016002100000000 ] - [ 0.0004959500000000, 0.0004134900000000, 0.0007389700000000 ] - [ 0.0001109400000000, -0.0001749900000000, 0.0000292100000000 ] - [ -0.0001542200000000, 0.0003584000000000, -0.0005494400000000 ] - [ -0.0003094400000000, -0.0003063600000000, -0.0002796300000000 ] - [ 0.0001815700000000, -0.0002181900000000, 0.0001021800000000 ] - [ -0.0002258100000000, -0.0001105000000000, -0.0000393000000000 ] - [ 0.0001092900000000, 0.0006654400000000, 0.0002056800000000 ] - [ 0.0003956900000000, 0.0001070100000000, 0.0000242900000000 ] - [ 0.0000071200000000, -0.0001089900000000, -0.0000210700000000 ] - [ -0.0000830400000000, -0.0004051000000000, 0.0003919400000000 ] - [ 0.0004056300000000, 0.0000895700000000, 0.0001798200000000 ] - [ -0.0001720000000000, 0.0003513100000000, -0.0001195700000000 ] - [ -0.0002521700000000, 0.0004967000000000, -0.0002758000000000 ] - [ 0.0000128000000000, -0.0003295800000000, -0.0002707900000000 ] - [ -0.0000404200000000, -0.0002313100000000, 0.0002472400000000 ] - [ -0.0002904900000000, -0.0005386800000000, 0.0018149300000000 ] - [ 0.0001062400000000, 0.0000288600000000, 0.0008230200000000 ] - [ -0.0003057200000000, -0.0001891400000000, -0.0000492800000000 ] - [ 0.0000808900000000, -0.0002210800000000, 0.0001610100000000 ] - [ -0.0001518400000000, 0.0000805400000000, 0.0004259600000000 ] - [ -0.0000634500000000, -0.0007933700000000, 0.0001813700000000 ] - [ -0.0002277500000000, 0.0002786800000000, -0.0002729500000000 ] - [ 0.0001967500000000, 0.0003269600000000, 0.0002251300000000 ]- atom: 52 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0000555000000000, 0.0003115400000000, 0.0002134700000000 ] - [ 0.0000468600000000, 0.0002506300000000, 0.0004351200000000 ] - [ -0.0002184900000000, 0.0009270000000000, -0.0026410500000000 ] - [ -0.0002342200000000, -0.0000356600000000, 0.0001693600000000 ] - [ -0.0000160900000000, -0.0001250400000000, 0.0002700100000000 ] - [ -0.0001476200000000, -0.0001484400000000, -0.0000102200000000 ] - [ -0.0001516100000000, -0.0000433700000000, 0.0000519900000000 ] - [ 0.0001864000000000, -0.0000778400000000, -0.0002166800000000 ] - [ -0.0002809300000000, 0.0000971000000000, 0.0002364300000000 ] - [ -0.0000125600000000, -0.0000963100000000, 0.0002599100000000 ] - [ 0.0002388900000000, 0.0000536400000000, 0.0003069400000000 ] - [ 0.0000534200000000, 0.0000097700000000, -0.0003743300000000 ] - [ -0.0003066500000000, -0.0000349200000000, -0.0001976700000000 ] - [ 0.0000568100000000, 0.0003746000000000, 0.0002021300000000 ] - [ 0.0000652200000000, -0.0000499600000000, -0.0001007500000000 ] - [ 0.0001362300000000, -0.0011713700000000, -0.0009385800000000 ] - [ -0.0002895500000000, 0.0002124500000000, 0.0002802800000000 ] - [ -0.0000540700000000, 0.0000869900000000, -0.0000709900000000 ] - [ 0.0030308800000000, 0.0004160800000000, -0.0020019700000000 ] - [ 0.0003819500000000, 0.0000008600000000, -0.0001519600000000 ] - [ -0.0003879400000000, -0.0001489500000000, -0.0000315800000000 ] - [ 0.0000473500000000, 0.0004355200000000, 0.0003250700000000 ] - [ -0.0002129700000000, -0.0002288400000000, -0.0000425800000000 ] - [ -0.0002648400000000, 0.0001851300000000, 0.0000753600000000 ] - [ 0.0002615600000000, -0.0001933500000000, 0.0000782500000000 ] - [ -0.0001561200000000, -0.0002286900000000, 0.0004312800000000 ] - [ 0.0003691600000000, -0.0001271200000000, -0.0000025900000000 ] - [ -0.0003299200000000, 0.0005323900000000, -0.0001028200000000 ] - [ 0.0001760500000000, 0.0001222300000000, 0.0000138900000000 ] - [ 0.0000421500000000, -0.0000475100000000, 0.0000381900000000 ] - [ 0.0040326800000000, 0.0000416300000000, -0.0032430500000000 ] - [ 0.0000015100000000, -0.0000246200000000, 0.0000114300000000 ] - [ 0.0001276800000000, 0.0002427000000000, 0.0000348000000000 ] - [ -0.0003000300000000, -0.0000995800000000, 0.0001559600000000 ] - [ -0.0003017700000000, 0.0001151300000000, -0.0004412100000000 ] - [ -0.0000472700000000, -0.0004639900000000, -0.0010496200000000 ] - [ 0.0001714500000000, -0.0000782900000000, 0.0002859800000000 ] - [ -0.0008090100000000, -0.0001970400000000, 0.0000859400000000 ] - [ -0.0035933000000000, -0.0028818900000000, -0.0012709000000000 ] - [ 0.0000094700000000, 0.0006116300000000, 0.0003321400000000 ] - [ 0.0005995400000000, -0.0002050900000000, 0.0000013500000000 ] - [ -0.0262525600000000, -0.0064545300000000, -0.0395774400000000 ] - [ -0.0000436500000000, -0.0000403600000000, 0.0001206500000000 ] - [ -0.0006872900000000, -0.0011299400000000, 0.0000463200000000 ] - [ 0.0004791800000000, 0.0005197000000000, 0.0003900900000000 ] - [ 0.0001340500000000, 0.0001629500000000, 0.0005661500000000 ] - [ 0.0002655900000000, -0.0005838600000000, 0.0007697100000000 ] - [ 0.0004160900000000, -0.0008352900000000, 0.0004512700000000 ] - [ -0.0000077700000000, -0.0000593500000000, -0.0000600300000000 ] - [ -0.0000266400000000, 0.0009366800000000, -0.0009691300000000 ] - [ 0.0002188000000000, 0.0014021000000000, -0.0014898400000000 ] - [ 0.0249055100000000, 0.0066353200000000, 0.0550596600000000 ] - [ 0.0004180700000000, 0.0000574500000000, 0.0006624400000000 ] - [ -0.0002333900000000, 0.0001071800000000, 0.0000709300000000 ] - [ 0.0002635100000000, 0.0000599300000000, -0.0001321900000000 ] - [ 0.0000388100000000, -0.0000407600000000, 0.0000514700000000 ] - [ 0.0005975200000000, -0.0002771600000000, 0.0002130800000000 ] - [ -0.0002556300000000, -0.0002633500000000, -0.0004257100000000 ] - [ -0.0003133000000000, 0.0007559200000000, -0.0001819100000000 ] - [ 0.0000730000000000, 0.0001690100000000, 0.0000356300000000 ] - [ 0.0005814300000000, 0.0005225000000000, -0.0012322000000000 ] - [ -0.0000529700000000, -0.0001253700000000, -0.0000827300000000 ] - [ 0.0000594000000000, -0.0003272900000000, 0.0006155500000000 ] - [ 0.0001512800000000, 0.0003454000000000, -0.0007923900000000 ] - [ -0.0011816900000000, -0.0013076300000000, -0.0012099100000000 ] - [ -0.0005150000000000, -0.0006844400000000, -0.0006038500000000 ] - [ -0.0002587400000000, -0.0003564700000000, -0.0007181200000000 ] - [ 0.0000063700000000, 0.0001708200000000, -0.0001397700000000 ] - [ 0.0000285000000000, 0.0001501200000000, -0.0000236000000000 ] - [ -0.0001268700000000, -0.0000414500000000, 0.0002432900000000 ] - [ -0.0002590200000000, -0.0000147500000000, 0.0004359200000000 ] - [ -0.0009784500000000, -0.0003600800000000, -0.0003809000000000 ] - [ -0.0004543700000000, 0.0001545600000000, -0.0003762500000000 ] - [ -0.0000529900000000, 0.0001722300000000, -0.0003501300000000 ] - [ -0.0002097800000000, -0.0004553100000000, 0.0000224400000000 ] - [ 0.0004585400000000, 0.0002119800000000, -0.0000023800000000 ] - [ 0.0002891500000000, 0.0002320200000000, -0.0000142800000000 ] - [ -0.0000287400000000, 0.0003768700000000, 0.0006866000000000 ] - [ -0.0001205700000000, -0.0002560300000000, 0.0004057100000000 ] - [ 0.0001461500000000, -0.0003536400000000, -0.0003846300000000 ] - [ 0.0003370200000000, 0.0004794400000000, -0.0014538900000000 ] - [ 0.0000454600000000, 0.0004965100000000, -0.0001294600000000 ] - [ -0.0005565300000000, -0.0001136300000000, -0.0001287000000000 ] - [ 0.0004056700000000, 0.0000981600000000, -0.0005585000000000 ] - [ 0.0000453300000000, 0.0005004100000000, -0.0002872500000000 ] - [ 0.0004098900000000, 0.0004471700000000, 0.0004432400000000 ] - [ -0.0001173500000000, 0.0000622900000000, -0.0003513700000000 ] - [ 0.0000942000000000, 0.0005348400000000, -0.0006403100000000 ]- atom: 53 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ -0.0001585700000000, 0.0002386300000000, 0.0002088700000000 ] - [ 0.0002306300000000, 0.0001158100000000, 0.0001646600000000 ] - [ 0.0001313300000000, -0.0000968500000000, -0.0004271000000000 ] - [ -0.0001811000000000, -0.0000176000000000, 0.0001474400000000 ] - [ -0.0000068300000000, 0.0000026500000000, 0.0001568700000000 ] - [ -0.0001529300000000, -0.0001304300000000, 0.0000032200000000 ] - [ -0.0003771200000000, 0.0000598900000000, 0.0000041600000000 ] - [ 0.0006708000000000, -0.0007822500000000, -0.0002189400000000 ] - [ -0.0002236200000000, 0.0001948600000000, 0.0001766500000000 ] - [ -0.0002294000000000, -0.0000517800000000, 0.0001947500000000 ] - [ 0.0004487600000000, 0.0000236800000000, 0.0000842900000000 ] - [ 0.0011643600000000, 0.0003852000000000, -0.0009114700000000 ] - [ -0.0001346000000000, 0.0000299400000000, -0.0000841000000000 ] - [ -0.0001589300000000, 0.0001981600000000, 0.0000982000000000 ] - [ 0.0006449400000000, 0.0018935200000000, -0.0000110700000000 ] - [ -0.0000009500000000, 0.0001822800000000, -0.0003828400000000 ] - [ -0.0002259600000000, 0.0000947600000000, 0.0001135000000000 ] - [ 0.0000780300000000, -0.0000178400000000, -0.0000029600000000 ] - [ 0.0028368000000000, -0.0006519500000000, 0.0041261500000000 ] - [ -0.0000045900000000, 0.0002121400000000, 0.0000529600000000 ] - [ -0.0003299000000000, -0.0001670700000000, -0.0000096200000000 ] - [ 0.0001202500000000, 0.0002987600000000, 0.0000519100000000 ] - [ -0.0003113700000000, -0.0000947000000000, 0.0000269500000000 ] - [ -0.0002910200000000, 0.0003871600000000, 0.0003490800000000 ] - [ 0.0001203800000000, -0.0002143400000000, -0.0001433400000000 ] - [ -0.0001418900000000, -0.0002396100000000, 0.0002980200000000 ] - [ 0.0010641700000000, -0.0005810900000000, 0.0018885200000000 ] - [ -0.0002811900000000, -0.0006642800000000, 0.0000047800000000 ] - [ 0.0003533200000000, 0.0000328300000000, 0.0001008900000000 ] - [ -0.0000858100000000, -0.0001006700000000, -0.0001015200000000 ] - [ -0.0005095300000000, 0.0002285000000000, 0.0001839700000000 ] - [ -0.0000019600000000, -0.0000215100000000, -0.0002165100000000 ] - [ -0.0005293200000000, -0.0000222700000000, -0.0001392700000000 ] - [ -0.0004094300000000, -0.0001101600000000, 0.0000207400000000 ] - [ -0.0015030300000000, -0.0001968500000000, -0.0002018600000000 ] - [ -0.0000866600000000, 0.0000082400000000, -0.0001531600000000 ] - [ -0.0001229000000000, -0.0003071300000000, 0.0002465000000000 ] - [ -0.0001706500000000, 0.0002467300000000, -0.0002892300000000 ] - [ 0.0027477000000000, -0.0026447300000000, 0.0012526800000000 ] - [ -0.0001904400000000, 0.0001691100000000, 0.0001630900000000 ] - [ 0.0013215200000000, 0.0000469800000000, 0.0001736100000000 ] - [ 0.0574457300000000, -0.0122401000000000, -0.0146825600000000 ] - [ -0.0006305500000000, -0.0000070300000000, -0.0005224100000000 ] - [ -0.0003214400000000, -0.0003113400000000, -0.0001162600000000 ] - [ 0.0001515500000000, -0.0000650800000000, 0.0003888700000000 ] - [ 0.0002517200000000, -0.0000363900000000, 0.0003446800000000 ] - [ -0.0011941500000000, 0.0002510000000000, -0.0008038900000000 ] - [ 0.0005334300000000, 0.0001273000000000, 0.0001838800000000 ] - [ 0.0003161400000000, -0.0001109800000000, -0.0002919900000000 ] - [ -0.0000091600000000, -0.0002562000000000, 0.0000190700000000 ] - [ -0.0000919000000000, 0.0004035500000000, -0.0002207500000000 ] - [ 0.0053818100000000, -0.0008443100000000, -0.0001044700000000 ] - [ -0.0740583000000000, 0.0139771500000000, 0.0106076900000000 ] - [ -0.0000837100000000, 0.0001191500000000, 0.0002798500000000 ] - [ -0.0001365200000000, 0.0002240500000000, 0.0000699400000000 ] - [ 0.0002845400000000, 0.0001781800000000, 0.0002177100000000 ] - [ 0.0018216900000000, -0.0003027900000000, 0.0006044200000000 ] - [ -0.0001054300000000, -0.0002205000000000, -0.0003043500000000 ] - [ -0.0005600400000000, 0.0006343100000000, -0.0005819600000000 ] - [ 0.0003435000000000, 0.0000939400000000, 0.0000097400000000 ] - [ 0.0004988800000000, 0.0007968900000000, -0.0019580000000000 ] - [ 0.0003644700000000, 0.0005534200000000, 0.0007275800000000 ] - [ -0.0001110800000000, -0.0002863100000000, 0.0004330200000000 ] - [ 0.0004358700000000, -0.0002462100000000, 0.0006044400000000 ] - [ 0.0008723000000000, -0.0013770300000000, -0.0010952100000000 ] - [ 0.0002352900000000, 0.0000602800000000, 0.0000444600000000 ] - [ -0.0000392700000000, -0.0002308300000000, -0.0003505800000000 ] - [ 0.0010316300000000, 0.0012448200000000, -0.0003269300000000 ] - [ -0.0002119800000000, -0.0002486400000000, -0.0002302000000000 ] - [ -0.0004152800000000, -0.0010541400000000, 0.0010002500000000 ] - [ 0.0004828600000000, 0.0002473000000000, 0.0002429400000000 ] - [ -0.0004487800000000, -0.0000362500000000, -0.0004283900000000 ] - [ 0.0013525500000000, 0.0003624000000000, -0.0005108500000000 ] - [ 0.0000120200000000, 0.0001582400000000, -0.0002508000000000 ] - [ -0.0000522900000000, -0.0003970500000000, 0.0002047200000000 ] - [ 0.0006054600000000, 0.0002107900000000, 0.0000120600000000 ] - [ 0.0006766800000000, 0.0001272700000000, 0.0000041400000000 ] - [ 0.0004211400000000, 0.0006597400000000, 0.0002590200000000 ] - [ -0.0001185100000000, -0.0003092200000000, 0.0001684500000000 ] - [ 0.0003332500000000, -0.0003378800000000, -0.0003026600000000 ] - [ 0.0000128500000000, -0.0001037000000000, 0.0002372500000000 ] - [ -0.0000418900000000, 0.0003521100000000, 0.0002381100000000 ] - [ -0.0007078400000000, -0.0001550000000000, -0.0001308900000000 ] - [ 0.0001708500000000, -0.0000864300000000, -0.0003512000000000 ] - [ -0.0001649500000000, 0.0003825100000000, -0.0000304300000000 ] - [ 0.0001611400000000, -0.0003450400000000, 0.0002722400000000 ] - [ 0.0001046500000000, 0.0001503100000000, -0.0002017200000000 ] - [ 0.0000878100000000, 0.0003569900000000, -0.0003774800000000 ]- atom: 53 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0000078100000000, 0.0002553100000000, 0.0003520900000000 ] - [ -0.0001045400000000, 0.0000165700000000, -0.0001391300000000 ] - [ 0.0003210600000000, -0.0000683400000000, 0.0004137300000000 ] - [ -0.0002380600000000, 0.0000132500000000, 0.0000817500000000 ] - [ -0.0000475300000000, 0.0000476500000000, 0.0000872000000000 ] - [ -0.0003182800000000, -0.0001568200000000, -0.0000180900000000 ] - [ -0.0000423300000000, -0.0000568700000000, 0.0002224200000000 ] - [ -0.0005447500000000, 0.0006484100000000, 0.0002449900000000 ] - [ -0.0001957300000000, 0.0002413300000000, 0.0000960000000000 ] - [ 0.0006705300000000, -0.0001571100000000, -0.0001756200000000 ] - [ -0.0000293100000000, -0.0000192500000000, -0.0003132100000000 ] - [ -0.0010224600000000, -0.0003263500000000, 0.0006199100000000 ] - [ -0.0003040100000000, -0.0002414200000000, 0.0000682000000000 ] - [ 0.0006126000000000, -0.0000357200000000, -0.0001152600000000 ] - [ -0.0006869900000000, -0.0019314900000000, 0.0002571800000000 ] - [ 0.0001650900000000, -0.0006782700000000, -0.0001786000000000 ] - [ -0.0002133000000000, 0.0001142000000000, -0.0001325500000000 ] - [ -0.0002012400000000, 0.0001480100000000, -0.0000227800000000 ] - [ -0.0024159200000000, 0.0006564500000000, -0.0044099500000000 ] - [ 0.0004421600000000, -0.0000016200000000, -0.0000361100000000 ] - [ -0.0001252700000000, 0.0003329800000000, 0.0000271700000000 ] - [ 0.0000424500000000, 0.0001943700000000, -0.0006091500000000 ] - [ -0.0001451600000000, -0.0000677300000000, -0.0000087400000000 ] - [ -0.0001777000000000, -0.0000970900000000, -0.0003639600000000 ] - [ 0.0002971300000000, -0.0002218700000000, -0.0001306600000000 ] - [ -0.0000228300000000, -0.0002534400000000, 0.0002587000000000 ] - [ -0.0005931600000000, 0.0002866300000000, -0.0018310100000000 ] - [ -0.0001420900000000, 0.0002294000000000, 0.0002740800000000 ] - [ 0.0001188500000000, 0.0002536900000000, -0.0000852100000000 ] - [ -0.0000377400000000, -0.0000312800000000, 0.0000783700000000 ] - [ 0.0009305200000000, 0.0002066800000000, -0.0004660100000000 ] - [ 0.0000574500000000, -0.0000291000000000, -0.0000263600000000 ] - [ 0.0005532900000000, 0.0000521300000000, 0.0000695100000000 ] - [ -0.0004052200000000, 0.0000564600000000, -0.0001596500000000 ] - [ 0.0006872800000000, 0.0002503600000000, 0.0000578600000000 ] - [ -0.0003640500000000, -0.0000886600000000, -0.0002839700000000 ] - [ 0.0005863200000000, -0.0000632300000000, 0.0002972300000000 ] - [ -0.0003001900000000, 0.0001209900000000, -0.0002575000000000 ] - [ -0.0032548400000000, 0.0022816300000000, -0.0017820200000000 ] - [ 0.0001793400000000, -0.0002064100000000, -0.0000878900000000 ] - [ -0.0013429900000000, -0.0000200700000000, -0.0000996100000000 ] - [ -0.0589933400000000, 0.0129272000000000, 0.0155678200000000 ] - [ 0.0010760700000000, 0.0000914000000000, 0.0009585800000000 ] - [ -0.0001256400000000, 0.0003951500000000, -0.0003258100000000 ] - [ 0.0003133600000000, 0.0004386500000000, 0.0001600800000000 ] - [ 0.0001970400000000, -0.0000429800000000, 0.0000952200000000 ] - [ 0.0012100200000000, -0.0002789400000000, 0.0007320200000000 ] - [ 0.0002825500000000, -0.0000688300000000, -0.0000452300000000 ] - [ -0.0003595400000000, 0.0000413000000000, -0.0000810200000000 ] - [ 0.0000331000000000, -0.0000056000000000, -0.0001670500000000 ] - [ 0.0004423700000000, -0.0000615400000000, 0.0008467400000000 ] - [ -0.0051989200000000, -0.0000052000000000, -0.0003322600000000 ] - [ 0.0769881500000000, -0.0146691400000000, -0.0117079000000000 ] - [ -0.0004038200000000, 0.0000062200000000, 0.0001183400000000 ] - [ 0.0001883300000000, 0.0000381000000000, 0.0002778500000000 ] - [ -0.0000038400000000, -0.0000216600000000, 0.0000845700000000 ] - [ -0.0009492800000000, -0.0000053100000000, -0.0004289900000000 ] - [ -0.0002387800000000, -0.0001216600000000, -0.0003167900000000 ] - [ 0.0002793900000000, -0.0004801500000000, 0.0002782600000000 ] - [ -0.0003659000000000, 0.0001679500000000, 0.0001370500000000 ] - [ -0.0005092600000000, -0.0005352200000000, 0.0018231700000000 ] - [ -0.0004244300000000, -0.0008167900000000, -0.0010782600000000 ] - [ 0.0002601200000000, -0.0002448700000000, 0.0002566600000000 ] - [ -0.0001496800000000, 0.0000907300000000, -0.0003023500000000 ] - [ -0.0008427000000000, 0.0014618700000000, 0.0014809300000000 ] - [ -0.0002547300000000, -0.0003251900000000, 0.0000985100000000 ] - [ -0.0001107600000000, -0.0003005100000000, -0.0003410600000000 ] - [ -0.0011778900000000, -0.0007056400000000, -0.0003628500000000 ] - [ -0.0000694000000000, 0.0000955100000000, -0.0000736800000000 ] - [ 0.0004649000000000, 0.0007959300000000, -0.0006567600000000 ] - [ -0.0009681600000000, -0.0003627500000000, 0.0001548600000000 ] - [ -0.0004232400000000, 0.0003511500000000, 0.0002569100000000 ] - [ -0.0014044900000000, -0.0001011500000000, 0.0001568800000000 ] - [ -0.0000571500000000, -0.0000945900000000, -0.0001193700000000 ] - [ -0.0002387600000000, -0.0004638700000000, 0.0002105000000000 ] - [ 0.0002586300000000, 0.0000936500000000, 0.0001663200000000 ] - [ -0.0005686700000000, 0.0004560500000000, -0.0001391900000000 ] - [ -0.0007109500000000, 0.0002009000000000, 0.0001558300000000 ] - [ 0.0000124300000000, -0.0002760800000000, -0.0000343100000000 ] - [ -0.0002260300000000, -0.0002468900000000, 0.0001645500000000 ] - [ 0.0000329200000000, 0.0000388800000000, 0.0001352700000000 ] - [ 0.0001916100000000, 0.0001773900000000, 0.0004543400000000 ] - [ -0.0001544300000000, -0.0001477400000000, -0.0000470000000000 ] - [ 0.0003152700000000, -0.0000385600000000, -0.0000475500000000 ] - [ 0.0000583600000000, 0.0002016600000000, 0.0001684600000000 ] - [ 0.0001917400000000, 0.0000031000000000, 0.0003493300000000 ] - [ -0.0004508900000000, 0.0001902100000000, -0.0004181900000000 ] - [ 0.0002037800000000, 0.0005035300000000, -0.0000367900000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000666700000000, 0.0001721600000000, 0.0003245400000000 ] - [ 0.0000632300000000, 0.0001092100000000, 0.0000204300000000 ] - [ 0.0002416900000000, -0.0000880000000000, 0.0000187800000000 ] - [ -0.0001815200000000, 0.0000099200000000, 0.0001205400000000 ] - [ -0.0000131600000000, -0.0000223200000000, 0.0000968600000000 ] - [ -0.0002054200000000, -0.0005017000000000, -0.0000064600000000 ] - [ -0.0000704000000000, -0.0000431700000000, 0.0000642600000000 ] - [ -0.0000181000000000, 0.0041280400000000, 0.0006246100000000 ] - [ -0.0002608400000000, 0.0001697400000000, 0.0000654600000000 ] - [ 0.0001204600000000, -0.0000827400000000, 0.0001129400000000 ] - [ 0.0000630300000000, 0.0000121400000000, -0.0005461400000000 ] - [ 0.0012586100000000, -0.0003617800000000, -0.0006749800000000 ] - [ -0.0003735500000000, -0.0007490300000000, 0.0000427200000000 ] - [ 0.0008078600000000, 0.0003855500000000, -0.0002806900000000 ] - [ 0.0009761300000000, 0.0072691100000000, -0.0003039100000000 ] - [ 0.0003267800000000, -0.0002755800000000, 0.0000436600000000 ] - [ -0.0002853900000000, 0.0001484500000000, -0.0000494500000000 ] - [ -0.0000173800000000, 0.0000030700000000, 0.0000214200000000 ] - [ -0.0003806300000000, 0.0002192300000000, -0.0010581500000000 ] - [ 0.0001538700000000, 0.0001059300000000, 0.0000842200000000 ] - [ -0.0004183800000000, -0.0000292300000000, 0.0000368700000000 ] - [ 0.0000611800000000, 0.0003242800000000, -0.0002146100000000 ] - [ -0.0002582500000000, -0.0000770100000000, 0.0000293800000000 ] - [ -0.0000755900000000, 0.0001397300000000, -0.0000885000000000 ] - [ 0.0002397600000000, -0.0002193100000000, -0.0001603500000000 ] - [ -0.0001262400000000, -0.0002582700000000, 0.0003217100000000 ] - [ -0.0000123000000000, 0.0001115900000000, -0.0004441700000000 ] - [ -0.0005078000000000, -0.0002341100000000, -0.0000102600000000 ] - [ 0.0001966400000000, 0.0001253400000000, 0.0000699600000000 ] - [ 0.0000520700000000, -0.0000129100000000, 0.0001348100000000 ] - [ 0.0002914300000000, 0.0002263000000000, -0.0002774600000000 ] - [ -0.0000415800000000, -0.0000291300000000, -0.0003001800000000 ] - [ -0.0008000800000000, 0.0005886300000000, 0.0002525100000000 ] - [ -0.0003913200000000, -0.0001576700000000, -0.0000937300000000 ] - [ -0.0004135800000000, -0.0001528800000000, -0.0000065000000000 ] - [ -0.0003671000000000, -0.0004693700000000, -0.0002851800000000 ] - [ 0.0004829200000000, -0.0000488700000000, 0.0002343900000000 ] - [ 0.0002566000000000, 0.0000809500000000, 0.0002992200000000 ] - [ 0.0002928100000000, 0.0000816900000000, -0.0000429800000000 ] - [ 0.0005400400000000, -0.0010921100000000, 0.0004816000000000 ] - [ -0.0005037300000000, -0.0004705400000000, 0.0007446800000000 ] - [ -0.0131427100000000, 0.0088952100000000, 0.0037540000000000 ] - [ 0.0002171100000000, -0.0001263700000000, -0.0001982900000000 ] - [ -0.0002698400000000, 0.0001194200000000, -0.0002101700000000 ] - [ 0.0002169400000000, 0.0002275400000000, 0.0002489200000000 ] - [ 0.0001965200000000, -0.0000440800000000, 0.0002469400000000 ] - [ 0.0002293900000000, -0.0000641200000000, -0.0000105600000000 ] - [ 0.0002365900000000, 0.0002694300000000, -0.0000562400000000 ] - [ -0.0000275000000000, 0.0000327800000000, -0.0002293400000000 ] - [ 0.0000259200000000, -0.0000878400000000, -0.0001019500000000 ] - [ 0.0002165600000000, 0.0002120400000000, 0.0000795800000000 ] - [ -0.0001359300000000, -0.0017273900000000, -0.0002182900000000 ] - [ 0.0145452000000000, -0.0242336700000000, -0.0039741000000000 ] - [ -0.0002979300000000, 0.0002976800000000, 0.0001675300000000 ] - [ 0.0000170300000000, 0.0003366900000000, 0.0001329200000000 ] - [ 0.0003701700000000, 0.0000152100000000, 0.0002271100000000 ] - [ 0.0001378700000000, -0.0003960900000000, -0.0002078400000000 ] - [ -0.0001573400000000, -0.0002313400000000, -0.0002478100000000 ] - [ 0.0006114000000000, -0.0000212200000000, -0.0008363900000000 ] - [ -0.0004009300000000, 0.0003172600000000, 0.0002074400000000 ] - [ 0.0006386700000000, -0.0000500900000000, -0.0004046800000000 ] - [ 0.0006049600000000, 0.0003328300000000, 0.0008523000000000 ] - [ 0.0000674800000000, 0.0000956300000000, 0.0001886400000000 ] - [ 0.0000933900000000, -0.0000261500000000, 0.0000433900000000 ] - [ -0.0037577000000000, 0.0020723700000000, 0.0023204200000000 ] - [ -0.0001376400000000, -0.0002158300000000, 0.0000118900000000 ] - [ -0.0000929400000000, -0.0002532400000000, -0.0004183300000000 ] - [ 0.0005210300000000, 0.0004683900000000, -0.0004228400000000 ] - [ -0.0000648100000000, 0.0006643400000000, -0.0002444700000000 ] - [ -0.0001467400000000, 0.0009124900000000, -0.0007880400000000 ] - [ 0.0000602100000000, -0.0000306500000000, 0.0000857700000000 ] - [ -0.0009611000000000, 0.0015199300000000, 0.0003080000000000 ] - [ -0.0001784500000000, 0.0000705200000000, 0.0001057800000000 ] - [ -0.0000760100000000, 0.0000979300000000, -0.0001808500000000 ] - [ -0.0001592400000000, -0.0003966700000000, 0.0002493800000000 ] - [ 0.0003955700000000, 0.0001002000000000, 0.0000827500000000 ] - [ 0.0002481800000000, 0.0004272000000000, 0.0001464900000000 ] - [ -0.0002584200000000, 0.0004915200000000, 0.0001507800000000 ] - [ 0.0000401300000000, -0.0000379600000000, -0.0000571800000000 ] - [ 0.0000959200000000, -0.0002971000000000, -0.0001398700000000 ] - [ -0.0000026900000000, -0.0000690400000000, 0.0001483500000000 ] - [ 0.0000365500000000, 0.0002636000000000, 0.0003216500000000 ] - [ -0.0002345700000000, 0.0001739000000000, -0.0001117400000000 ] - [ 0.0002656500000000, -0.0000642900000000, -0.0002125300000000 ] - [ 0.0000824900000000, 0.0003104200000000, -0.0000927900000000 ] - [ -0.0003349400000000, 0.0000903800000000, 0.0002517000000000 ] - [ -0.0001600000000000, 0.0001815500000000, -0.0003254300000000 ] - [ 0.0001903800000000, 0.0003413200000000, -0.0000439200000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000989500000000, 0.0003210700000000, 0.0002373800000000 ] - [ 0.0000622400000000, 0.0000244900000000, 0.0000088600000000 ] - [ 0.0002121800000000, -0.0000761500000000, -0.0000372200000000 ] - [ -0.0002390200000000, -0.0000135800000000, 0.0001070500000000 ] - [ -0.0000405100000000, 0.0000719200000000, 0.0001491600000000 ] - [ -0.0002665800000000, 0.0002146400000000, -0.0000069600000000 ] - [ -0.0003494600000000, 0.0000478600000000, 0.0001623600000000 ] - [ 0.0001609900000000, -0.0040327400000000, -0.0005613300000000 ] - [ -0.0001576300000000, 0.0002656400000000, 0.0002093300000000 ] - [ 0.0003155100000000, -0.0001248100000000, -0.0000957700000000 ] - [ 0.0003552600000000, -0.0000070500000000, 0.0003185400000000 ] - [ -0.0012319200000000, 0.0003911600000000, 0.0004390900000000 ] - [ -0.0000637300000000, 0.0005379800000000, -0.0000605300000000 ] - [ -0.0003537000000000, -0.0002214200000000, 0.0002646800000000 ] - [ -0.0010496100000000, -0.0076671000000000, 0.0005563500000000 ] - [ -0.0001598200000000, -0.0002166000000000, -0.0006060200000000 ] - [ -0.0001514100000000, 0.0000605200000000, 0.0000303800000000 ] - [ -0.0001098500000000, 0.0001306500000000, -0.0000501700000000 ] - [ 0.0008141600000000, -0.0002335700000000, 0.0008540500000000 ] - [ 0.0002839800000000, 0.0001047500000000, -0.0000669500000000 ] - [ -0.0000350900000000, 0.0001928800000000, -0.0000193500000000 ] - [ 0.0001006200000000, 0.0001688100000000, -0.0003415900000000 ] - [ -0.0001954100000000, -0.0000864600000000, -0.0000124100000000 ] - [ -0.0003948400000000, 0.0001496600000000, 0.0000742700000000 ] - [ 0.0001782400000000, -0.0002161200000000, -0.0001150200000000 ] - [ -0.0000362200000000, -0.0002349000000000, 0.0002342400000000 ] - [ 0.0004801500000000, -0.0003933500000000, 0.0004356200000000 ] - [ 0.0000885000000000, -0.0002034100000000, 0.0002895400000000 ] - [ 0.0002748000000000, 0.0001611900000000, -0.0000574900000000 ] - [ -0.0001777900000000, -0.0001204500000000, -0.0001633000000000 ] - [ 0.0001268200000000, 0.0002103500000000, 0.0000013100000000 ] - [ 0.0000968600000000, -0.0000209500000000, 0.0000553000000000 ] - [ 0.0008248200000000, -0.0005661200000000, -0.0003260600000000 ] - [ -0.0004215900000000, 0.0000957100000000, -0.0000504800000000 ] - [ -0.0003938700000000, 0.0002181000000000, -0.0001438500000000 ] - [ -0.0000797400000000, 0.0003846900000000, -0.0001580600000000 ] - [ -0.0000226200000000, -0.0003173000000000, 0.0003211900000000 ] - [ -0.0007075200000000, 0.0002858200000000, -0.0008617300000000 ] - [ -0.0007452500000000, -0.0004557200000000, -0.0005069300000000 ] - [ -0.0005627300000000, 0.0010619800000000, -0.0004123800000000 ] - [ 0.0004859900000000, 0.0005003700000000, -0.0006706900000000 ] - [ 0.0139532700000000, -0.0090814500000000, -0.0036125700000000 ] - [ 0.0002334400000000, 0.0002110500000000, 0.0006447100000000 ] - [ -0.0001789400000000, -0.0000378300000000, -0.0002285800000000 ] - [ 0.0002369000000000, 0.0001394100000000, 0.0003101800000000 ] - [ 0.0002499800000000, -0.0000328100000000, 0.0001990200000000 ] - [ -0.0002156400000000, 0.0000392600000000, -0.0000582300000000 ] - [ 0.0005741600000000, -0.0002062100000000, 0.0001997600000000 ] - [ -0.0000189700000000, -0.0000982100000000, -0.0001393000000000 ] - [ -0.0000043600000000, -0.0001766800000000, -0.0000440700000000 ] - [ 0.0001266200000000, 0.0001295800000000, 0.0005402600000000 ] - [ 0.0004354800000000, 0.0008627000000000, -0.0002005200000000 ] - [ -0.0140275100000000, 0.0246315300000000, 0.0034991900000000 ] - [ -0.0001891100000000, -0.0001725200000000, 0.0002313000000000 ] - [ 0.0000365600000000, -0.0000766700000000, 0.0002150900000000 ] - [ -0.0000890000000000, 0.0001455200000000, 0.0000745000000000 ] - [ 0.0007321400000000, 0.0000973000000000, 0.0003894100000000 ] - [ -0.0001842300000000, -0.0001089500000000, -0.0003725800000000 ] - [ -0.0009044600000000, 0.0001794500000000, 0.0005385600000000 ] - [ 0.0003782700000000, -0.0000543000000000, -0.0000614800000000 ] - [ -0.0006129100000000, 0.0003123500000000, 0.0002589100000000 ] - [ -0.0006557600000000, -0.0005915400000000, -0.0011916100000000 ] - [ 0.0000807400000000, -0.0006273500000000, 0.0004997000000000 ] - [ 0.0001889100000000, -0.0001360300000000, 0.0002582300000000 ] - [ 0.0037753400000000, -0.0019864000000000, -0.0019303900000000 ] - [ 0.0001195700000000, -0.0000479400000000, 0.0001341500000000 ] - [ -0.0000574100000000, -0.0002774200000000, -0.0002708900000000 ] - [ -0.0006747000000000, 0.0000534000000000, -0.0002678800000000 ] - [ -0.0002180500000000, -0.0008272000000000, -0.0000593800000000 ] - [ 0.0002039000000000, -0.0011761400000000, 0.0011382700000000 ] - [ -0.0005507000000000, -0.0000975600000000, 0.0003105500000000 ] - [ 0.0000974600000000, -0.0012206300000000, -0.0004833800000000 ] - [ 0.0001298400000000, 0.0001915500000000, -0.0004566000000000 ] - [ 0.0000302600000000, -0.0000320000000000, -0.0001902200000000 ] - [ -0.0001309700000000, -0.0004631000000000, 0.0001661400000000 ] - [ 0.0004679600000000, 0.0002020600000000, 0.0000963500000000 ] - [ -0.0001375000000000, 0.0001577500000000, -0.0002817200000000 ] - [ -0.0000329600000000, 0.0003679100000000, 0.0002613200000000 ] - [ -0.0001478700000000, -0.0005463600000000, 0.0001924000000000 ] - [ 0.0000141800000000, -0.0002867000000000, 0.0000015500000000 ] - [ 0.0000476900000000, 0.0000021500000000, 0.0002219300000000 ] - [ 0.0001126200000000, 0.0002679200000000, 0.0003668700000000 ] - [ -0.0006299400000000, -0.0004795500000000, -0.0000660900000000 ] - [ 0.0002221400000000, -0.0000614900000000, -0.0001875800000000 ] - [ -0.0001916000000000, 0.0002744600000000, 0.0002298000000000 ] - [ 0.0006740300000000, -0.0004294000000000, 0.0003699600000000 ] - [ -0.0001844400000000, 0.0001570000000000, -0.0002969600000000 ] - [ 0.0000992900000000, 0.0005176300000000, -0.0003725000000000 ]- atom: 53 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ -0.0000842400000000, 0.0002117800000000, 0.0003730500000000 ] - [ 0.0000516000000000, 0.0000308000000000, -0.0001474200000000 ] - [ 0.0001824400000000, -0.0000914800000000, -0.0002056900000000 ] - [ -0.0001785300000000, 0.0000201800000000, 0.0000198200000000 ] - [ 0.0000189300000000, 0.0000546600000000, -0.0000479500000000 ] - [ -0.0002202600000000, -0.0001911400000000, 0.0000789000000000 ] - [ -0.0002881600000000, -0.0000139500000000, 0.0002212100000000 ] - [ 0.0000194900000000, 0.0007731800000000, 0.0007125400000000 ] - [ -0.0002045600000000, 0.0003026500000000, -0.0000055500000000 ] - [ 0.0006056900000000, -0.0001396100000000, -0.0001416000000000 ] - [ 0.0002640000000000, -0.0001022000000000, -0.0002956800000000 ] - [ -0.0010700400000000, -0.0002250100000000, -0.0003381900000000 ] - [ -0.0002956900000000, -0.0001749800000000, 0.0001214800000000 ] - [ 0.0003876200000000, -0.0000316600000000, -0.0000898300000000 ] - [ -0.0001979600000000, -0.0002652000000000, 0.0003833000000000 ] - [ 0.0000276100000000, -0.0000119900000000, -0.0000466200000000 ] - [ -0.0002432900000000, 0.0001258700000000, -0.0002200000000000 ] - [ -0.0000715500000000, 0.0001022600000000, 0.0000643200000000 ] - [ 0.0037260700000000, -0.0010990900000000, 0.0066402700000000 ] - [ 0.0002492600000000, 0.0001173100000000, 0.0000307900000000 ] - [ -0.0001146800000000, 0.0002760500000000, 0.0000469900000000 ] - [ 0.0001800200000000, 0.0001365400000000, -0.0006901100000000 ] - [ -0.0002759500000000, -0.0000797200000000, 0.0000069400000000 ] - [ -0.0000471300000000, 0.0000788100000000, -0.0001943600000000 ] - [ 0.0002173800000000, -0.0002083700000000, -0.0002333100000000 ] - [ -0.0000272200000000, -0.0002770900000000, 0.0001546900000000 ] - [ 0.0026613000000000, -0.0010080900000000, 0.0077548600000000 ] - [ -0.0002635500000000, -0.0004145900000000, 0.0002937600000000 ] - [ 0.0002441500000000, 0.0001416100000000, -0.0000777300000000 ] - [ -0.0001126600000000, -0.0001249700000000, -0.0001327700000000 ] - [ 0.0000579900000000, 0.0001901000000000, 0.0003195000000000 ] - [ -0.0000216300000000, 0.0000359500000000, -0.0003817200000000 ] - [ -0.0009020100000000, 0.0004322800000000, 0.0003587400000000 ] - [ -0.0006258900000000, 0.0000910400000000, -0.0001906700000000 ] - [ -0.0002827500000000, 0.0000842100000000, 0.0000652800000000 ] - [ -0.0004321600000000, 0.0002556000000000, 0.0006544800000000 ] - [ 0.0004035600000000, -0.0002134200000000, 0.0003150100000000 ] - [ -0.0005815900000000, -0.0001461500000000, -0.0003678400000000 ] - [ -0.0020609500000000, 0.0016050800000000, -0.0011797200000000 ] - [ 0.0009157700000000, -0.0008664300000000, 0.0002000600000000 ] - [ 0.0000237100000000, 0.0001363900000000, -0.0003711500000000 ] - [ -0.0167220100000000, 0.0038392100000000, 0.0104257100000000 ] - [ 0.0003554200000000, -0.0000065000000000, 0.0006895200000000 ] - [ -0.0002835700000000, 0.0007304900000000, -0.0007007200000000 ] - [ 0.0000947900000000, 0.0000825800000000, 0.0002194000000000 ] - [ 0.0001382400000000, -0.0002062400000000, -0.0001896400000000 ] - [ 0.0006151400000000, 0.0002036800000000, 0.0002506500000000 ] - [ 0.0005994300000000, 0.0001969800000000, -0.0003639300000000 ] - [ -0.0000761700000000, -0.0000584700000000, -0.0002617800000000 ] - [ 0.0000461400000000, -0.0001207700000000, 0.0000422800000000 ] - [ -0.0000381000000000, -0.0002788500000000, 0.0009180700000000 ] - [ 0.0035803100000000, -0.0008931100000000, -0.0008677000000000 ] - [ 0.0153848300000000, -0.0044817800000000, -0.0268732700000000 ] - [ -0.0001688600000000, 0.0000911500000000, 0.0004322600000000 ] - [ -0.0000818600000000, 0.0002042000000000, 0.0002870600000000 ] - [ 0.0002562500000000, 0.0000315000000000, 0.0000764900000000 ] - [ -0.0002476700000000, -0.0002980000000000, -0.0006848200000000 ] - [ -0.0001286900000000, -0.0000860900000000, -0.0001890300000000 ] - [ -0.0000731300000000, -0.0003897300000000, 0.0001748100000000 ] - [ -0.0001771400000000, 0.0001629200000000, 0.0001197000000000 ] - [ -0.0017859800000000, -0.0000686800000000, 0.0008970300000000 ] - [ 0.0008897600000000, 0.0009304700000000, 0.0006894000000000 ] - [ 0.0000759700000000, -0.0002014200000000, 0.0000532700000000 ] - [ -0.0000264000000000, -0.0001647800000000, 0.0001747800000000 ] - [ -0.0014017700000000, 0.0010163100000000, 0.0001166500000000 ] - [ -0.0000726800000000, -0.0000668000000000, 0.0001379100000000 ] - [ 0.0000445600000000, -0.0001962800000000, -0.0000715900000000 ] - [ -0.0005265300000000, -0.0000751700000000, -0.0005474000000000 ] - [ -0.0000994900000000, 0.0003595800000000, -0.0001176700000000 ] - [ 0.0003095000000000, -0.0009805100000000, 0.0004950900000000 ] - [ -0.0002321500000000, -0.0001897400000000, 0.0001315000000000 ] - [ -0.0012987800000000, 0.0010745300000000, -0.0000108500000000 ] - [ -0.0008503500000000, -0.0000462100000000, -0.0006781000000000 ] - [ 0.0000353600000000, -0.0001071700000000, -0.0000857100000000 ] - [ -0.0001036600000000, -0.0004661800000000, 0.0003364700000000 ] - [ 0.0003292800000000, 0.0000847500000000, 0.0001787100000000 ] - [ 0.0001135100000000, 0.0002706300000000, -0.0002946700000000 ] - [ -0.0001810400000000, 0.0006608300000000, -0.0000357300000000 ] - [ 0.0000486000000000, -0.0002882200000000, -0.0002255400000000 ] - [ -0.0002237200000000, -0.0002097100000000, 0.0002483800000000 ] - [ 0.0000435800000000, 0.0000531600000000, 0.0007059500000000 ] - [ 0.0000697200000000, 0.0002350500000000, 0.0005960100000000 ] - [ -0.0004439300000000, -0.0003161600000000, -0.0000153900000000 ] - [ 0.0000963100000000, -0.0000493500000000, 0.0000056600000000 ] - [ -0.0001794400000000, 0.0000771900000000, 0.0004136800000000 ] - [ 0.0006464100000000, -0.0001736500000000, 0.0002021200000000 ] - [ -0.0002011100000000, 0.0001599200000000, -0.0004297100000000 ] - [ 0.0002169900000000, 0.0004371700000000, 0.0001666000000000 ]- atom: 53 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0000818400000000, 0.0002821800000000, 0.0001877000000000 ] - [ 0.0000701400000000, 0.0001008800000000, 0.0001667400000000 ] - [ 0.0002710900000000, -0.0000724900000000, 0.0001865800000000 ] - [ -0.0002430500000000, -0.0000231600000000, 0.0002097100000000 ] - [ -0.0000755700000000, -0.0000040600000000, 0.0002928800000000 ] - [ -0.0002491000000000, -0.0000981200000000, -0.0000967300000000 ] - [ -0.0001327400000000, 0.0000160900000000, 0.0000051400000000 ] - [ 0.0001053600000000, -0.0009102400000000, -0.0007001100000000 ] - [ -0.0002126100000000, 0.0001332700000000, 0.0002825000000000 ] - [ -0.0001656800000000, -0.0000674700000000, 0.0001583000000000 ] - [ 0.0001577200000000, 0.0001043300000000, 0.0000678900000000 ] - [ 0.0011195200000000, 0.0002716600000000, 0.0001173600000000 ] - [ -0.0001432400000000, -0.0000325900000000, -0.0001392200000000 ] - [ 0.0000647900000000, 0.0001938100000000, 0.0000740600000000 ] - [ 0.0001475200000000, 0.0002411300000000, -0.0001455200000000 ] - [ 0.0001387900000000, -0.0004789500000000, -0.0005154500000000 ] - [ -0.0001957300000000, 0.0000811700000000, 0.0002021500000000 ] - [ -0.0000516400000000, 0.0000294500000000, -0.0000879800000000 ] - [ -0.0034646800000000, 0.0011421400000000, -0.0071398800000000 ] - [ 0.0001894500000000, 0.0000920600000000, -0.0000140500000000 ] - [ -0.0003391500000000, -0.0001110300000000, -0.0000304300000000 ] - [ -0.0000127400000000, 0.0003571400000000, 0.0001333600000000 ] - [ -0.0001784700000000, -0.0000833700000000, 0.0000102800000000 ] - [ -0.0004225400000000, 0.0002079200000000, 0.0001777100000000 ] - [ 0.0001997500000000, -0.0002271000000000, -0.0000430200000000 ] - [ -0.0001383900000000, -0.0002168800000000, 0.0004010300000000 ] - [ -0.0020566800000000, 0.0006791700000000, -0.0074726800000000 ] - [ -0.0001571400000000, -0.0000242900000000, -0.0000150400000000 ] - [ 0.0002259600000000, 0.0001491500000000, 0.0000959200000000 ] - [ -0.0000105600000000, -0.0000073600000000, 0.0001106800000000 ] - [ 0.0003602900000000, 0.0002458800000000, -0.0005963900000000 ] - [ 0.0000785900000000, -0.0000858700000000, 0.0001378800000000 ] - [ 0.0009238400000000, -0.0004002600000000, -0.0004292400000000 ] - [ -0.0001878000000000, -0.0001500000000000, 0.0000494800000000 ] - [ -0.0005422500000000, -0.0000314000000000, -0.0002060900000000 ] - [ -0.0000164600000000, -0.0003378100000000, -0.0010967000000000 ] - [ 0.0000587300000000, -0.0001545300000000, 0.0002361600000000 ] - [ 0.0001158400000000, 0.0005189300000000, -0.0001793700000000 ] - [ 0.0015787300000000, -0.0019786200000000, 0.0006397300000000 ] - [ -0.0009404800000000, 0.0008376000000000, -0.0001322000000000 ] - [ -0.0000475100000000, -0.0001088200000000, 0.0004420800000000 ] - [ 0.0174488500000000, -0.0038596500000000, -0.0103818400000000 ] - [ 0.0000935800000000, 0.0000905400000000, -0.0002563000000000 ] - [ -0.0001689800000000, -0.0006442000000000, 0.0002588200000000 ] - [ 0.0003689900000000, 0.0002861500000000, 0.0003328800000000 ] - [ 0.0003120800000000, 0.0001209700000000, 0.0006285400000000 ] - [ -0.0005905900000000, -0.0002327300000000, -0.0003305500000000 ] - [ 0.0002135500000000, -0.0001406800000000, 0.0005046800000000 ] - [ 0.0000328200000000, -0.0000060100000000, -0.0001091600000000 ] - [ -0.0000216400000000, -0.0001451900000000, -0.0001887600000000 ] - [ 0.0003834800000000, 0.0006194300000000, -0.0002863000000000 ] - [ -0.0032727900000000, 0.0000293400000000, 0.0004590500000000 ] - [ -0.0147554800000000, 0.0045453400000000, 0.0265611200000000 ] - [ -0.0003156700000000, 0.0000350900000000, -0.0000350100000000 ] - [ 0.0001323700000000, 0.0000553200000000, 0.0000616900000000 ] - [ 0.0000251000000000, 0.0001262300000000, 0.0002289600000000 ] - [ 0.0010979400000000, -0.0000070900000000, 0.0008597200000000 ] - [ -0.0002163500000000, -0.0002550600000000, -0.0004334300000000 ] - [ -0.0002083000000000, 0.0005434600000000, -0.0004789200000000 ] - [ 0.0001535800000000, 0.0001007400000000, 0.0000262500000000 ] - [ 0.0017897500000000, 0.0003318000000000, -0.0010380300000000 ] - [ -0.0009372600000000, -0.0011830700000000, -0.0010339400000000 ] - [ 0.0000734900000000, -0.0003311100000000, 0.0006355500000000 ] - [ 0.0003120700000000, 0.0000074900000000, 0.0001318500000000 ] - [ 0.0014419300000000, -0.0009463000000000, 0.0002465600000000 ] - [ 0.0000535700000000, -0.0001959400000000, 0.0000066800000000 ] - [ -0.0001940900000000, -0.0003348300000000, -0.0006151700000000 ] - [ 0.0003804000000000, 0.0006128000000000, -0.0001382700000000 ] - [ -0.0001825800000000, -0.0005192500000000, -0.0001878800000000 ] - [ -0.0002555900000000, 0.0007254300000000, -0.0001499500000000 ] - [ -0.0002392200000000, 0.0000668900000000, 0.0002599400000000 ] - [ 0.0004416000000000, -0.0007697400000000, -0.0001626400000000 ] - [ 0.0007884200000000, 0.0003053200000000, 0.0003384900000000 ] - [ -0.0000817700000000, 0.0001701900000000, -0.0002835800000000 ] - [ -0.0001897400000000, -0.0003940100000000, 0.0000766800000000 ] - [ 0.0005319700000000, 0.0002148300000000, -0.0000015400000000 ] - [ -0.0000086500000000, 0.0003131800000000, 0.0001623700000000 ] - [ -0.0001102500000000, 0.0002004300000000, 0.0004477000000000 ] - [ -0.0001534200000000, -0.0002961900000000, 0.0003597500000000 ] - [ 0.0003270400000000, -0.0003744400000000, -0.0003822600000000 ] - [ 0.0000036000000000, -0.0001165600000000, -0.0003381900000000 ] - [ 0.0000803500000000, 0.0002960700000000, 0.0000914900000000 ] - [ -0.0004176000000000, 0.0000164200000000, -0.0001613600000000 ] - [ 0.0003887500000000, -0.0000783000000000, -0.0004028300000000 ] - [ 0.0000745800000000, 0.0005052800000000, -0.0002766400000000 ] - [ -0.0003005000000000, -0.0001741900000000, 0.0004207900000000 ] - [ -0.0001458100000000, 0.0001832600000000, -0.0001910700000000 ] - [ 0.0000763900000000, 0.0004229900000000, -0.0005811400000000 ]- atom: 55 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ -0.0005822400000000, 0.0003136300000000, 0.0004522400000000 ] - [ 0.0002128200000000, 0.0000311200000000, 0.0000412000000000 ] - [ 0.0000821100000000, -0.0002309200000000, -0.0001404400000000 ] - [ 0.0010546500000000, -0.0003352700000000, -0.0010749900000000 ] - [ 0.0021113300000000, 0.0004924400000000, 0.0030513500000000 ] - [ -0.0000091800000000, -0.0001792500000000, 0.0002274500000000 ] - [ -0.0002054400000000, 0.0000410800000000, 0.0000193500000000 ] - [ 0.0002828400000000, -0.0001845800000000, 0.0000973400000000 ] - [ -0.0003107500000000, 0.0002162100000000, -0.0001704700000000 ] - [ 0.0001653100000000, -0.0001002500000000, 0.0000877400000000 ] - [ 0.0002673900000000, 0.0000127700000000, -0.0000904600000000 ] - [ 0.0001253700000000, -0.0000047600000000, -0.0001081900000000 ] - [ -0.0002114900000000, -0.0001215900000000, 0.0004030400000000 ] - [ 0.0001161300000000, 0.0001141600000000, -0.0000167300000000 ] - [ 0.0002504400000000, 0.0000379000000000, 0.0002927700000000 ] - [ -0.0000746600000000, -0.0004825900000000, -0.0001888100000000 ] - [ -0.0003111500000000, 0.0002597800000000, -0.0001961300000000 ] - [ 0.0005044600000000, -0.0003875700000000, 0.0017439900000000 ] - [ 0.0003702700000000, 0.0000059300000000, -0.0001518000000000 ] - [ -0.0001034900000000, 0.0001456900000000, -0.0000861000000000 ] - [ -0.0003372300000000, 0.0000598100000000, 0.0000204900000000 ] - [ -0.0000632100000000, 0.0002386700000000, -0.0002537100000000 ] - [ -0.0008695700000000, 0.0001132100000000, 0.0001772000000000 ] - [ 0.0003064000000000, -0.0007785700000000, -0.0002242600000000 ] - [ -0.0000372800000000, -0.0003606400000000, -0.0002089100000000 ] - [ -0.0002681900000000, -0.0001124900000000, 0.0002872800000000 ] - [ 0.0003393100000000, -0.0001074900000000, 0.0000665300000000 ] - [ -0.0006799700000000, -0.0001106000000000, 0.0002830400000000 ] - [ 0.0011262500000000, 0.0016987100000000, -0.0000879800000000 ] - [ 0.0000396400000000, -0.0001740800000000, 0.0002008800000000 ] - [ 0.0000574400000000, 0.0001808500000000, -0.0001597500000000 ] - [ 0.0001507000000000, 0.0000496100000000, -0.0000343000000000 ] - [ 0.0002455800000000, -0.0000019300000000, 0.0000474500000000 ] - [ -0.0015423500000000, -0.0001732900000000, -0.0007915800000000 ] - [ -0.0008926400000000, -0.0000098700000000, -0.0002014100000000 ] - [ 0.0022718900000000, -0.0026626700000000, 0.0021670600000000 ] - [ 0.0001646400000000, -0.0001707700000000, 0.0004367500000000 ] - [ -0.0006522500000000, -0.0013056100000000, -0.0002118700000000 ] - [ -0.0003815600000000, -0.0000777200000000, -0.0001623600000000 ] - [ 0.0607717500000000, -0.0082056000000000, -0.0209970600000000 ] - [ 0.0001641300000000, 0.0000520100000000, 0.0001049500000000 ] - [ 0.0006268000000000, -0.0001110900000000, 0.0002067400000000 ] - [ -0.0003390100000000, -0.0001142500000000, -0.0000016500000000 ] - [ -0.0003407900000000, -0.0001386700000000, 0.0001258700000000 ] - [ -0.0004634900000000, 0.0002532500000000, -0.0000529900000000 ] - [ 0.0005837600000000, -0.0009660100000000, 0.0008303000000000 ] - [ 0.0006100700000000, 0.0005353700000000, -0.0006606000000000 ] - [ 0.0007870900000000, -0.0000985000000000, -0.0005617700000000 ] - [ 0.0018615900000000, -0.0002336900000000, 0.0002527600000000 ] - [ 0.0003391000000000, 0.0004706900000000, -0.0001491100000000 ] - [ 0.0002349200000000, 0.0001856900000000, 0.0002506900000000 ] - [ 0.0003600800000000, -0.0006314100000000, -0.0004323300000000 ] - [ 0.0000796600000000, 0.0000556700000000, -0.0003127200000000 ] - [ 0.0011362300000000, 0.0002188100000000, -0.0005511200000000 ] - [ -0.0771128200000000, 0.0106858500000000, 0.0180423400000000 ] - [ 0.0001564300000000, 0.0000379300000000, 0.0001520700000000 ] - [ 0.0003738600000000, -0.0001529300000000, 0.0000551300000000 ] - [ -0.0002692100000000, 0.0007797100000000, -0.0003474300000000 ] - [ -0.0001639700000000, 0.0000539100000000, -0.0001896500000000 ] - [ 0.0004059400000000, 0.0001041500000000, -0.0002033100000000 ] - [ 0.0001660500000000, 0.0001322700000000, -0.0001244500000000 ] - [ -0.0001668100000000, -0.0000770000000000, -0.0002928800000000 ] - [ -0.0006220300000000, -0.0000512400000000, -0.0001548800000000 ] - [ 0.0002119300000000, -0.0001181100000000, 0.0001686800000000 ] - [ -0.0000292900000000, 0.0001364200000000, 0.0000391900000000 ] - [ 0.0004898400000000, -0.0003736100000000, 0.0000137400000000 ] - [ -0.0002230100000000, -0.0002393200000000, -0.0004514900000000 ] - [ 0.0002499900000000, 0.0000563300000000, 0.0001489400000000 ] - [ 0.0038216600000000, 0.0007595900000000, -0.0000988600000000 ] - [ -0.0001428200000000, -0.0002398100000000, -0.0000348500000000 ] - [ 0.0001508200000000, 0.0005549700000000, 0.0011245400000000 ] - [ 0.0010519300000000, -0.0008069400000000, -0.0011139000000000 ] - [ -0.0003426500000000, 0.0000918300000000, -0.0000482900000000 ] - [ 0.0001082600000000, 0.0000628400000000, -0.0002028300000000 ] - [ 0.0003693700000000, -0.0006139600000000, 0.0006577100000000 ] - [ 0.0007827100000000, -0.0007720400000000, 0.0002488700000000 ] - [ 0.0003740800000000, 0.0002683300000000, -0.0001259700000000 ] - [ 0.0000024900000000, 0.0004284800000000, 0.0002410500000000 ] - [ 0.0006042300000000, 0.0002875000000000, -0.0017782100000000 ] - [ 0.0004283600000000, 0.0000791100000000, -0.0002568100000000 ] - [ -0.0000297500000000, 0.0001840400000000, 0.0003693000000000 ] - [ 0.0005295300000000, -0.0002385500000000, 0.0007751100000000 ] - [ -0.0004311300000000, -0.0001127500000000, -0.0001517300000000 ] - [ -0.0001973600000000, 0.0001087800000000, 0.0000607600000000 ] - [ -0.0001911300000000, 0.0002394600000000, 0.0000696800000000 ] - [ 0.0003999800000000, 0.0008135000000000, 0.0002201200000000 ] - [ -0.0000584000000000, 0.0001891000000000, -0.0003552200000000 ] - [ 0.0001786700000000, 0.0005308400000000, -0.0000513700000000 ]- atom: 55 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ 0.0004221000000000, 0.0001783500000000, 0.0001146000000000 ] - [ -0.0000883700000000, 0.0001013100000000, -0.0000171400000000 ] - [ 0.0003728200000000, 0.0000671400000000, 0.0001207800000000 ] - [ -0.0013833900000000, 0.0003178100000000, 0.0012413000000000 ] - [ -0.0021745500000000, -0.0004468500000000, -0.0028575300000000 ] - [ -0.0004588700000000, -0.0001090500000000, -0.0002425100000000 ] - [ -0.0002140300000000, -0.0000383000000000, 0.0002095800000000 ] - [ -0.0001594200000000, 0.0000531800000000, -0.0000739900000000 ] - [ -0.0001087000000000, 0.0002191900000000, 0.0004514700000000 ] - [ 0.0002711700000000, -0.0001093900000000, -0.0000684000000000 ] - [ 0.0001518700000000, -0.0000080900000000, -0.0001385800000000 ] - [ -0.0000699800000000, 0.0000573500000000, -0.0001366600000000 ] - [ -0.0002277100000000, -0.0000884700000000, -0.0004222000000000 ] - [ 0.0003391200000000, 0.0000491500000000, -0.0000015000000000 ] - [ -0.0003079400000000, -0.0000887300000000, -0.0000485300000000 ] - [ 0.0002385800000000, -0.0000086500000000, -0.0003735800000000 ] - [ -0.0001267000000000, -0.0000523700000000, 0.0001795300000000 ] - [ -0.0006384300000000, 0.0005162300000000, -0.0017367600000000 ] - [ 0.0000489300000000, -0.0000117700000000, -0.0000737600000000 ] - [ 0.0005401000000000, 0.0000621600000000, 0.0001033700000000 ] - [ -0.0001181500000000, 0.0001035700000000, -0.0000008800000000 ] - [ 0.0002276600000000, 0.0002553400000000, -0.0003019400000000 ] - [ 0.0004211600000000, -0.0002773600000000, -0.0001638000000000 ] - [ -0.0007747400000000, 0.0010593400000000, 0.0002080300000000 ] - [ 0.0004548800000000, -0.0000749000000000, -0.0000675800000000 ] - [ 0.0001042300000000, -0.0003816400000000, 0.0002685600000000 ] - [ 0.0001307200000000, -0.0001809500000000, -0.0000512700000000 ] - [ 0.0002632200000000, -0.0003253200000000, -0.0000008400000000 ] - [ -0.0006479300000000, -0.0014044900000000, 0.0001042900000000 ] - [ -0.0001614500000000, 0.0000403700000000, -0.0002249600000000 ] - [ 0.0003621500000000, 0.0002561400000000, -0.0001209500000000 ] - [ -0.0000938600000000, -0.0000988000000000, -0.0002110500000000 ] - [ -0.0002218000000000, 0.0000339000000000, -0.0001179300000000 ] - [ 0.0007228300000000, 0.0001097500000000, 0.0006513900000000 ] - [ 0.0000858500000000, 0.0000899500000000, 0.0000584100000000 ] - [ -0.0027620600000000, 0.0025868900000000, -0.0025912800000000 ] - [ 0.0002935500000000, -0.0001934100000000, 0.0001204600000000 ] - [ 0.0001966200000000, 0.0016892700000000, -0.0003577800000000 ] - [ -0.0000726100000000, -0.0002892300000000, -0.0004014800000000 ] - [ -0.0633286600000000, 0.0087083900000000, 0.0220125100000000 ] - [ -0.0001841500000000, -0.0000220500000000, -0.0000351000000000 ] - [ 0.0001832500000000, 0.0000428400000000, -0.0000534100000000 ] - [ 0.0007878800000000, 0.0002006600000000, 0.0004449600000000 ] - [ -0.0001164700000000, 0.0002184800000000, -0.0005710000000000 ] - [ 0.0009173800000000, 0.0001202800000000, 0.0006040000000000 ] - [ -0.0001288200000000, 0.0008779200000000, -0.0003900700000000 ] - [ -0.0005854900000000, -0.0005623200000000, 0.0005821400000000 ] - [ 0.0000095300000000, 0.0001652000000000, 0.0007180600000000 ] - [ -0.0019024600000000, 0.0001599300000000, -0.0006265000000000 ] - [ -0.0003169500000000, -0.0007385600000000, 0.0000057200000000 ] - [ 0.0001110900000000, 0.0001505000000000, 0.0003767200000000 ] - [ -0.0000711900000000, -0.0002273900000000, 0.0000201800000000 ] - [ 0.0004101800000000, 0.0000715600000000, -0.0000801400000000 ] - [ -0.0016186800000000, -0.0000955900000000, 0.0009346500000000 ] - [ 0.0798010800000000, -0.0109531200000000, -0.0185674500000000 ] - [ 0.0001220900000000, 0.0001205300000000, 0.0001476900000000 ] - [ 0.0004904200000000, -0.0001492500000000, 0.0001192200000000 ] - [ -0.0000821100000000, -0.0011154500000000, -0.0002753300000000 ] - [ -0.0001172800000000, 0.0001076200000000, -0.0001088300000000 ] - [ -0.0004270000000000, 0.0001587600000000, 0.0003465200000000 ] - [ -0.0001469300000000, 0.0001300200000000, -0.0000218600000000 ] - [ 0.0001157000000000, -0.0001838100000000, -0.0000570900000000 ] - [ 0.0007803400000000, -0.0004827200000000, 0.0008462000000000 ] - [ 0.0000682200000000, -0.0000444300000000, 0.0001319200000000 ] - [ 0.0000760000000000, -0.0000732700000000, 0.0003310700000000 ] - [ -0.0005060800000000, 0.0001092500000000, 0.0001325500000000 ] - [ 0.0000714400000000, -0.0002908800000000, -0.0002374400000000 ] - [ -0.0004012600000000, 0.0004776900000000, -0.0008420800000000 ] - [ -0.0042162000000000, -0.0009422300000000, -0.0002243300000000 ] - [ 0.0001943400000000, -0.0000187900000000, 0.0003840200000000 ] - [ -0.0006436500000000, -0.0006864100000000, -0.0007342000000000 ] - [ -0.0019472200000000, 0.0011300700000000, 0.0009613500000000 ] - [ 0.0002916600000000, 0.0001686400000000, -0.0002994200000000 ] - [ -0.0001529200000000, 0.0000020500000000, -0.0001674000000000 ] - [ -0.0006580700000000, -0.0002434200000000, -0.0002467700000000 ] - [ 0.0000771700000000, 0.0010646000000000, -0.0000669400000000 ] - [ -0.0002680900000000, 0.0003153700000000, -0.0000098300000000 ] - [ -0.0002988200000000, 0.0004304300000000, 0.0001697300000000 ] - [ -0.0007464400000000, -0.0008751000000000, 0.0019258300000000 ] - [ -0.0003164500000000, -0.0006593700000000, 0.0001186400000000 ] - [ 0.0000781400000000, -0.0002487700000000, -0.0000028100000000 ] - [ -0.0003712100000000, 0.0007764900000000, -0.0000869800000000 ] - [ -0.0004313600000000, -0.0001881500000000, -0.0000236700000000 ] - [ 0.0006938400000000, -0.0002235000000000, -0.0004517800000000 ] - [ 0.0000871000000000, 0.0003462400000000, 0.0000673300000000 ] - [ -0.0000497900000000, -0.0011632800000000, 0.0004026900000000 ] - [ -0.0002866600000000, 0.0001479300000000, -0.0002680900000000 ] - [ 0.0001167000000000, 0.0003277800000000, -0.0003641200000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002044100000000, 0.0003082700000000, 0.0004245200000000 ] - [ 0.0000601800000000, -0.0001915500000000, 0.0000336200000000 ] - [ 0.0002388900000000, -0.0001816900000000, 0.0000689000000000 ] - [ -0.0000417900000000, -0.0007969200000000, 0.0000031900000000 ] - [ 0.0000741400000000, 0.0004810000000000, 0.0002858700000000 ] - [ -0.0002561600000000, -0.0001100100000000, 0.0000465800000000 ] - [ -0.0002790100000000, 0.0000507200000000, -0.0000220300000000 ] - [ -0.0000091900000000, -0.0001983200000000, 0.0001313900000000 ] - [ -0.0001858000000000, 0.0003059000000000, 0.0001273100000000 ] - [ 0.0002536200000000, -0.0001188500000000, 0.0000125100000000 ] - [ 0.0001376900000000, -0.0000176500000000, -0.0003500000000000 ] - [ 0.0000021900000000, -0.0002302500000000, -0.0001053000000000 ] - [ -0.0002196400000000, -0.0001069700000000, 0.0001338300000000 ] - [ 0.0002565100000000, 0.0000296500000000, -0.0000298800000000 ] - [ -0.0001394700000000, 0.0001140400000000, -0.0002265600000000 ] - [ -0.0001133200000000, -0.0004606300000000, -0.0001375300000000 ] - [ -0.0000171800000000, 0.0000678800000000, 0.0002213900000000 ] - [ -0.0003055900000000, 0.0003818000000000, -0.0007233900000000 ] - [ 0.0000847100000000, -0.0005799200000000, -0.0000404000000000 ] - [ 0.0003033100000000, 0.0000444900000000, -0.0000119400000000 ] - [ -0.0001674900000000, 0.0001267800000000, 0.0000274700000000 ] - [ 0.0001154400000000, 0.0001467000000000, -0.0003260000000000 ] - [ -0.0002545600000000, 0.0000022400000000, -0.0000708300000000 ] - [ -0.0005201900000000, 0.0054485400000000, 0.0009983000000000 ] - [ 0.0002113500000000, -0.0002377800000000, -0.0001594800000000 ] - [ -0.0000675600000000, -0.0002033500000000, 0.0003082900000000 ] - [ 0.0001593100000000, -0.0001713800000000, -0.0000288000000000 ] - [ 0.0003112500000000, 0.0000927600000000, -0.0001345100000000 ] - [ 0.0009395500000000, 0.0062392800000000, -0.0000916600000000 ] - [ -0.0001437600000000, -0.0000418100000000, 0.0000145700000000 ] - [ 0.0002986000000000, 0.0001862500000000, -0.0001518500000000 ] - [ 0.0001122800000000, -0.0000554600000000, -0.0001757700000000 ] - [ -0.0000788200000000, -0.0002847100000000, 0.0000494900000000 ] - [ -0.0001787000000000, 0.0001611900000000, -0.0000370600000000 ] - [ -0.0010445000000000, 0.0007298400000000, 0.0002551900000000 ] - [ 0.0003942900000000, -0.0001711800000000, 0.0003057700000000 ] - [ 0.0002435600000000, -0.0002148700000000, 0.0002916600000000 ] - [ -0.0007410200000000, 0.0005454700000000, -0.0009414400000000 ] - [ 0.0000429800000000, -0.0000151000000000, -0.0002819100000000 ] - [ -0.0094744200000000, 0.0073424400000000, 0.0032394600000000 ] - [ -0.0003903300000000, 0.0005698600000000, 0.0002665800000000 ] - [ 0.0002251200000000, -0.0003259400000000, -0.0001302700000000 ] - [ 0.0005969000000000, 0.0005192500000000, 0.0006510500000000 ] - [ 0.0004813700000000, 0.0006856700000000, -0.0000685600000000 ] - [ 0.0003606300000000, -0.0001115600000000, -0.0000319400000000 ] - [ 0.0004708100000000, -0.0002570800000000, 0.0001505000000000 ] - [ -0.0000387800000000, -0.0002735000000000, 0.0000596800000000 ] - [ -0.0003681500000000, -0.0003643900000000, 0.0004200800000000 ] - [ -0.0005782700000000, -0.0000840500000000, -0.0006555100000000 ] - [ 0.0002170100000000, -0.0001365200000000, -0.0000181500000000 ] - [ -0.0001901500000000, 0.0002083000000000, -0.0002705700000000 ] - [ -0.0001231500000000, 0.0001621500000000, -0.0001520800000000 ] - [ 0.0003363600000000, 0.0002699200000000, -0.0001175800000000 ] - [ -0.0004685700000000, 0.0000032200000000, 0.0003568600000000 ] - [ 0.0107554000000000, -0.0222465500000000, -0.0045075700000000 ] - [ 0.0001359700000000, 0.0001618200000000, 0.0000660600000000 ] - [ 0.0003288500000000, -0.0000010700000000, -0.0000020600000000 ] - [ -0.0000438700000000, 0.0003817500000000, -0.0003507500000000 ] - [ -0.0001976100000000, 0.0000753900000000, -0.0002560500000000 ] - [ -0.0000345100000000, 0.0001063000000000, 0.0000293800000000 ] - [ -0.0000580600000000, 0.0001902000000000, -0.0000444600000000 ] - [ 0.0000275500000000, 0.0000539500000000, -0.0002704900000000 ] - [ 0.0000699300000000, -0.0003592500000000, -0.0000442900000000 ] - [ 0.0001106800000000, -0.0000476100000000, 0.0001407800000000 ] - [ 0.0000465900000000, 0.0002270200000000, 0.0001711900000000 ] - [ 0.0002889900000000, -0.0000615400000000, 0.0003224800000000 ] - [ -0.0000980800000000, -0.0001777100000000, -0.0003273500000000 ] - [ -0.0005672400000000, 0.0003360300000000, -0.0010514700000000 ] - [ 0.0004371100000000, -0.0009941700000000, -0.0004660500000000 ] - [ 0.0001352100000000, -0.0002847000000000, 0.0000289400000000 ] - [ 0.0004513800000000, 0.0004004900000000, 0.0012964600000000 ] - [ -0.0043990800000000, 0.0015311900000000, 0.0017516100000000 ] - [ 0.0000132400000000, 0.0005005700000000, -0.0001732700000000 ] - [ -0.0000700900000000, -0.0000511400000000, -0.0001399000000000 ] - [ -0.0002673800000000, -0.0005696900000000, 0.0002241500000000 ] - [ 0.0001928600000000, 0.0003114700000000, 0.0001685600000000 ] - [ -0.0000699000000000, 0.0003359100000000, -0.0001546100000000 ] - [ 0.0001360400000000, 0.0001428900000000, 0.0002166200000000 ] - [ 0.0007271800000000, -0.0003329600000000, -0.0002825200000000 ] - [ 0.0000784100000000, -0.0001124700000000, -0.0001203200000000 ] - [ 0.0001502100000000, 0.0003011400000000, 0.0000587200000000 ] - [ -0.0007472500000000, -0.0004712100000000, 0.0002344300000000 ] - [ -0.0004465400000000, -0.0003980600000000, -0.0001850700000000 ] - [ 0.0011714600000000, 0.0009789400000000, 0.0007036900000000 ] - [ -0.0001624500000000, 0.0001619400000000, 0.0000112800000000 ] - [ 0.0014301100000000, -0.0000576000000000, 0.0000412000000000 ] - [ -0.0002225600000000, 0.0001980600000000, -0.0003769100000000 ] - [ 0.0003693900000000, 0.0004884800000000, -0.0001054500000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000370500000000, 0.0001855400000000, 0.0001353600000000 ] - [ 0.0000623900000000, 0.0003247100000000, -0.0000112500000000 ] - [ 0.0002162100000000, 0.0000169200000000, -0.0000856000000000 ] - [ -0.0004173800000000, 0.0007969500000000, 0.0002414400000000 ] - [ -0.0001195700000000, -0.0004242300000000, -0.0000303100000000 ] - [ -0.0002122300000000, -0.0001783900000000, -0.0000621100000000 ] - [ -0.0001418800000000, -0.0000485100000000, 0.0002503300000000 ] - [ 0.0001330700000000, 0.0000662300000000, -0.0001083700000000 ] - [ -0.0002320400000000, 0.0001302100000000, 0.0001471600000000 ] - [ 0.0001853000000000, -0.0000885700000000, 0.0000038800000000 ] - [ 0.0002843100000000, 0.0000195000000000, 0.0001215400000000 ] - [ 0.0000531500000000, 0.0002823400000000, -0.0001376300000000 ] - [ -0.0002196600000000, -0.0001010000000000, -0.0001491400000000 ] - [ 0.0001977700000000, 0.0001328700000000, 0.0000127100000000 ] - [ 0.0000827100000000, -0.0001652700000000, 0.0004713100000000 ] - [ 0.0002785500000000, -0.0000333700000000, -0.0004238300000000 ] - [ -0.0004214900000000, 0.0001398100000000, -0.0002395000000000 ] - [ 0.0001795300000000, -0.0002395600000000, 0.0006733200000000 ] - [ 0.0003357700000000, 0.0005771700000000, -0.0001867300000000 ] - [ 0.0001355900000000, 0.0001657100000000, 0.0000307300000000 ] - [ -0.0002863800000000, 0.0000375000000000, -0.0000099500000000 ] - [ 0.0000494000000000, 0.0003459000000000, -0.0002312100000000 ] - [ -0.0002034200000000, -0.0001645900000000, 0.0000897600000000 ] - [ 0.0000529100000000, -0.0049043500000000, -0.0009673300000000 ] - [ 0.0002072700000000, -0.0001966700000000, -0.0001176600000000 ] - [ -0.0000944800000000, -0.0002910600000000, 0.0002471800000000 ] - [ 0.0003108300000000, -0.0001176000000000, 0.0000457500000000 ] - [ -0.0007297700000000, -0.0005278500000000, 0.0004170500000000 ] - [ -0.0004722300000000, -0.0062643600000000, 0.0000976600000000 ] - [ 0.0000206500000000, -0.0000923300000000, -0.0000387100000000 ] - [ 0.0001200700000000, 0.0002494100000000, -0.0001277900000000 ] - [ -0.0000567200000000, 0.0000067100000000, -0.0000696600000000 ] - [ 0.0000985600000000, 0.0003145200000000, -0.0001248500000000 ] - [ -0.0006410500000000, -0.0002243100000000, -0.0001086500000000 ] - [ 0.0002385500000000, -0.0006773500000000, -0.0004042600000000 ] - [ -0.0008394000000000, 0.0000820600000000, -0.0007370900000000 ] - [ 0.0002200900000000, -0.0001478700000000, 0.0002641900000000 ] - [ 0.0002791200000000, -0.0001862100000000, 0.0003896900000000 ] - [ -0.0005019100000000, -0.0003495600000000, -0.0002760600000000 ] - [ 0.0095899400000000, -0.0074759300000000, -0.0032137100000000 ] - [ 0.0003679600000000, -0.0005352400000000, -0.0001898200000000 ] - [ 0.0005839000000000, 0.0002605800000000, 0.0002787300000000 ] - [ -0.0001486400000000, -0.0004432300000000, -0.0002065900000000 ] - [ -0.0009305500000000, -0.0006022200000000, -0.0003848200000000 ] - [ 0.0001015100000000, 0.0004750400000000, 0.0005911700000000 ] - [ -0.0000251200000000, 0.0001892100000000, 0.0002892400000000 ] - [ 0.0000543500000000, 0.0002366800000000, -0.0001381700000000 ] - [ 0.0011827700000000, 0.0004250300000000, -0.0002781600000000 ] - [ 0.0005464200000000, 0.0000294700000000, 0.0003011700000000 ] - [ -0.0001915900000000, -0.0001261500000000, -0.0001288600000000 ] - [ 0.0005329200000000, 0.0001358200000000, 0.0008883700000000 ] - [ 0.0004167700000000, -0.0010228300000000, -0.0002611400000000 ] - [ 0.0001490900000000, -0.0001441900000000, -0.0002774000000000 ] - [ -0.0000079900000000, 0.0001230700000000, 0.0000304400000000 ] - [ -0.0108067700000000, 0.0226423100000000, 0.0048485700000000 ] - [ 0.0001452700000000, -0.0000050700000000, 0.0002390900000000 ] - [ 0.0005342600000000, -0.0002987400000000, 0.0001767200000000 ] - [ -0.0002944800000000, -0.0007297000000000, -0.0002723100000000 ] - [ -0.0000872500000000, 0.0000830500000000, -0.0000501100000000 ] - [ 0.0000110100000000, 0.0001574200000000, 0.0001153500000000 ] - [ 0.0000788900000000, 0.0000742000000000, -0.0001011600000000 ] - [ -0.0000765400000000, -0.0003146500000000, -0.0000779700000000 ] - [ 0.0000814000000000, -0.0001697100000000, 0.0007284300000000 ] - [ 0.0001723100000000, -0.0001093900000000, 0.0001623600000000 ] - [ 0.0000011800000000, -0.0001643700000000, 0.0001970800000000 ] - [ -0.0003082600000000, -0.0002026300000000, -0.0001761900000000 ] - [ -0.0000501000000000, -0.0003540900000000, -0.0003573900000000 ] - [ 0.0004189700000000, 0.0001969100000000, 0.0003657500000000 ] - [ -0.0007081200000000, 0.0008399800000000, 0.0001570900000000 ] - [ -0.0000836900000000, 0.0000246800000000, 0.0003189800000000 ] - [ -0.0009348500000000, -0.0005233400000000, -0.0008958200000000 ] - [ 0.0035081400000000, -0.0012118300000000, -0.0019102000000000 ] - [ -0.0000624500000000, -0.0002412200000000, -0.0001766000000000 ] - [ 0.0000241900000000, 0.0001138100000000, -0.0002288000000000 ] - [ -0.0000244400000000, -0.0002910900000000, 0.0001898800000000 ] - [ 0.0006654200000000, -0.0000038700000000, 0.0000083900000000 ] - [ 0.0001741500000000, 0.0002484500000000, 0.0000203100000000 ] - [ -0.0004290100000000, 0.0007196200000000, 0.0001951300000000 ] - [ -0.0008225700000000, -0.0002516500000000, 0.0004128600000000 ] - [ 0.0000221600000000, -0.0004737100000000, -0.0000131700000000 ] - [ -0.0001040600000000, -0.0003631700000000, 0.0003117700000000 ] - [ 0.0008929400000000, 0.0009984600000000, 0.0004608500000000 ] - [ -0.0004152800000000, 0.0000960800000000, 0.0000081300000000 ] - [ -0.0006923700000000, -0.0011094800000000, -0.0011074000000000 ] - [ 0.0000585600000000, 0.0004213400000000, 0.0001254600000000 ] - [ -0.0010959300000000, -0.0002899800000000, 0.0005844400000000 ] - [ -0.0001256800000000, 0.0001439800000000, -0.0002447500000000 ] - [ -0.0000779500000000, 0.0003712900000000, -0.0003066400000000 ]- atom: 55 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ 0.0003982400000000, 0.0001828300000000, 0.0002468100000000 ] - [ 0.0001470800000000, 0.0000592100000000, 0.0001506000000000 ] - [ 0.0002081400000000, -0.0000967300000000, 0.0000309300000000 ] - [ -0.0017396600000000, 0.0001247600000000, -0.0001177900000000 ] - [ 0.0019071700000000, 0.0006197700000000, 0.0038815400000000 ] - [ -0.0002426400000000, -0.0001317400000000, -0.0001814300000000 ] - [ -0.0002379300000000, 0.0000572500000000, -0.0000704100000000 ] - [ 0.0000560800000000, 0.0001682000000000, -0.0000720500000000 ] - [ -0.0002019300000000, 0.0001473100000000, 0.0000743500000000 ] - [ 0.0002115400000000, -0.0000819000000000, -0.0000535200000000 ] - [ 0.0001681500000000, 0.0001073000000000, -0.0002815700000000 ] - [ 0.0000815300000000, -0.0000411100000000, -0.0000569800000000 ] - [ -0.0001102700000000, -0.0000732700000000, -0.0004458300000000 ] - [ 0.0002251000000000, 0.0000984700000000, -0.0000793800000000 ] - [ 0.0000317100000000, -0.0002782900000000, -0.0001232400000000 ] - [ 0.0001898500000000, 0.0000296900000000, -0.0002689000000000 ] - [ -0.0002991800000000, 0.0001680000000000, 0.0003066600000000 ] - [ 0.0023000200000000, -0.0012038200000000, 0.0094139900000000 ] - [ 0.0001834100000000, -0.0000113200000000, -0.0000836000000000 ] - [ 0.0001832100000000, 0.0000439100000000, 0.0001177900000000 ] - [ -0.0002423700000000, 0.0000593700000000, -0.0001034000000000 ] - [ 0.0000156700000000, 0.0002962300000000, -0.0002602000000000 ] - [ -0.0001303800000000, -0.0000754200000000, 0.0003301400000000 ] - [ -0.0004285700000000, 0.0011441600000000, 0.0005529600000000 ] - [ 0.0002093100000000, -0.0002038200000000, -0.0001367700000000 ] - [ -0.0001155700000000, -0.0002348300000000, 0.0003228900000000 ] - [ 0.0003269900000000, -0.0001540700000000, -0.0000826500000000 ] - [ -0.0000185300000000, -0.0004023800000000, 0.0000009200000000 ] - [ 0.0000874200000000, 0.0000161200000000, 0.0004003700000000 ] - [ 0.0000350900000000, -0.0000289700000000, -0.0001625100000000 ] - [ 0.0001772300000000, 0.0002404800000000, -0.0001715200000000 ] - [ 0.0000990500000000, -0.0000106300000000, -0.0002002000000000 ] - [ 0.0000940000000000, -0.0000422900000000, -0.0000981600000000 ] - [ -0.0000645500000000, 0.0001897300000000, 0.0000322700000000 ] - [ -0.0012378100000000, 0.0009036600000000, 0.0004762500000000 ] - [ -0.0017647000000000, 0.0024969300000000, -0.0014851900000000 ] - [ 0.0001530800000000, -0.0002863600000000, 0.0000784500000000 ] - [ 0.0001758200000000, -0.0002530100000000, 0.0004758900000000 ] - [ -0.0006487100000000, -0.0005587100000000, -0.0005177000000000 ] - [ -0.0221109900000000, 0.0026698000000000, 0.0124599000000000 ] - [ 0.0002913400000000, -0.0001971100000000, -0.0003206900000000 ] - [ 0.0005880200000000, 0.0002264800000000, -0.0000814100000000 ] - [ 0.0001106600000000, -0.0002772600000000, -0.0000904500000000 ] - [ -0.0009743900000000, -0.0010771800000000, -0.0010978600000000 ] - [ 0.0003712800000000, 0.0001186000000000, 0.0004672100000000 ] - [ 0.0000630300000000, 0.0002117100000000, 0.0001875700000000 ] - [ -0.0001407500000000, -0.0001863400000000, 0.0001662200000000 ] - [ -0.0004494000000000, 0.0000990700000000, 0.0004887000000000 ] - [ -0.0010275900000000, -0.0003723800000000, -0.0012508000000000 ] - [ 0.0000017300000000, 0.0000411100000000, -0.0004255700000000 ] - [ 0.0007760100000000, -0.0000382100000000, 0.0012844800000000 ] - [ 0.0000516100000000, -0.0003806500000000, 0.0001086500000000 ] - [ 0.0001495700000000, 0.0000214000000000, -0.0000844500000000 ] - [ -0.0006615900000000, -0.0002255800000000, -0.0002805800000000 ] - [ 0.0224897900000000, -0.0051277800000000, -0.0278437800000000 ] - [ 0.0001855800000000, 0.0002196300000000, 0.0002869100000000 ] - [ 0.0003890300000000, -0.0001515700000000, 0.0001516000000000 ] - [ -0.0001989000000000, -0.0005058100000000, -0.0004927600000000 ] - [ -0.0000367900000000, 0.0000227000000000, 0.0001243700000000 ] - [ -0.0002743800000000, 0.0001881800000000, 0.0003044200000000 ] - [ -0.0000111900000000, 0.0001056100000000, 0.0000251800000000 ] - [ -0.0001332500000000, -0.0002278100000000, -0.0000557600000000 ] - [ -0.0003180300000000, -0.0006485200000000, 0.0011108400000000 ] - [ 0.0001396300000000, -0.0000570500000000, 0.0000853300000000 ] - [ 0.0000323400000000, -0.0002035600000000, 0.0003606600000000 ] - [ -0.0000463800000000, -0.0001290600000000, -0.0000458700000000 ] - [ -0.0001405400000000, -0.0002537400000000, -0.0003534100000000 ] - [ 0.0002670200000000, 0.0000269800000000, 0.0000303900000000 ] - [ 0.0017562000000000, -0.0001697700000000, -0.0008867500000000 ] - [ -0.0001729400000000, 0.0000206100000000, 0.0004516600000000 ] - [ 0.0006440300000000, 0.0009265300000000, 0.0010588400000000 ] - [ -0.0017855800000000, 0.0008850300000000, -0.0001685700000000 ] - [ 0.0001162500000000, 0.0001303800000000, -0.0003642400000000 ] - [ -0.0000232500000000, 0.0000489100000000, -0.0000996400000000 ] - [ -0.0003228200000000, -0.0005527300000000, 0.0003750100000000 ] - [ 0.0003048000000000, 0.0003200800000000, 0.0000006500000000 ] - [ -0.0000888500000000, 0.0002309300000000, 0.0000436300000000 ] - [ -0.0001190800000000, 0.0003474200000000, 0.0001129200000000 ] - [ -0.0019321900000000, -0.0006226600000000, 0.0010374500000000 ] - [ -0.0000341500000000, -0.0004216100000000, -0.0000529800000000 ] - [ 0.0002017400000000, 0.0000496700000000, -0.0000706000000000 ] - [ 0.0010806000000000, 0.0008037800000000, 0.0012693100000000 ] - [ -0.0004419500000000, 0.0000950300000000, 0.0002760400000000 ] - [ 0.0010941700000000, 0.0008880400000000, 0.0001553400000000 ] - [ 0.0001283200000000, 0.0004241500000000, 0.0002466700000000 ] - [ -0.0001841100000000, -0.0008456800000000, -0.0001048300000000 ] - [ -0.0001343600000000, 0.0002017300000000, -0.0000658700000000 ] - [ 0.0003486400000000, 0.0003638100000000, -0.0002728900000000 ]- atom: 55 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0005613200000000, 0.0003106100000000, 0.0003120300000000 ] - [ -0.0000236800000000, 0.0000735300000000, -0.0001293400000000 ] - [ 0.0002458600000000, -0.0000681600000000, -0.0000483800000000 ] - [ 0.0013148600000000, -0.0001270400000000, 0.0003777700000000 ] - [ -0.0020686800000000, -0.0005979300000000, -0.0038166700000000 ] - [ -0.0002296300000000, -0.0001568500000000, 0.0001600900000000 ] - [ -0.0001829400000000, -0.0000551200000000, 0.0002986300000000 ] - [ 0.0000675800000000, -0.0002983300000000, 0.0000950100000000 ] - [ -0.0002160900000000, 0.0002891500000000, 0.0001973500000000 ] - [ 0.0002277300000000, -0.0001248800000000, 0.0000712800000000 ] - [ 0.0002534600000000, -0.0001059200000000, 0.0000526500000000 ] - [ -0.0000256100000000, 0.0000932700000000, -0.0001878900000000 ] - [ -0.0003272100000000, -0.0001345000000000, 0.0004274900000000 ] - [ 0.0002294500000000, 0.0000638000000000, 0.0000621900000000 ] - [ -0.0000863500000000, 0.0002251900000000, 0.0003687800000000 ] - [ -0.0000250900000000, -0.0005216600000000, -0.0002926300000000 ] - [ -0.0001400200000000, 0.0000404800000000, -0.0003253600000000 ] - [ -0.0022865300000000, 0.0012805200000000, -0.0091131900000000 ] - [ 0.0002379900000000, 0.0000092900000000, -0.0001450700000000 ] - [ 0.0002558700000000, 0.0001643600000000, -0.0001015700000000 ] - [ -0.0002110900000000, 0.0001052600000000, 0.0001207100000000 ] - [ 0.0001485000000000, 0.0001966300000000, -0.0002965800000000 ] - [ -0.0003253100000000, -0.0000872700000000, -0.0003106900000000 ] - [ -0.0000393400000000, -0.0008624300000000, -0.0005827900000000 ] - [ 0.0002080300000000, -0.0002334800000000, -0.0001384500000000 ] - [ -0.0000477400000000, -0.0002573800000000, 0.0002332300000000 ] - [ 0.0001427300000000, -0.0001349100000000, 0.0001005800000000 ] - [ -0.0004011400000000, -0.0000345700000000, 0.0002818600000000 ] - [ 0.0003885200000000, 0.0002950400000000, -0.0003845700000000 ] - [ -0.0001596100000000, -0.0001011900000000, 0.0001388700000000 ] - [ 0.0002411900000000, 0.0001951300000000, -0.0001101000000000 ] - [ -0.0000421600000000, -0.0000426700000000, -0.0000427400000000 ] - [ -0.0000760900000000, 0.0000696200000000, 0.0000233000000000 ] - [ -0.0007404600000000, -0.0002441200000000, -0.0001781500000000 ] - [ 0.0004307000000000, -0.0008471700000000, -0.0006153800000000 ] - [ 0.0012907600000000, -0.0025723000000000, 0.0010532200000000 ] - [ 0.0003103100000000, -0.0000873200000000, 0.0004675600000000 ] - [ -0.0006403000000000, 0.0006095600000000, -0.0010206600000000 ] - [ 0.0001898700000000, 0.0001889100000000, -0.0000300000000000 ] - [ 0.0218851500000000, -0.0026538400000000, -0.0124579600000000 ] - [ -0.0003100900000000, 0.0002255900000000, 0.0003948600000000 ] - [ 0.0002215900000000, -0.0002870500000000, 0.0002257500000000 ] - [ 0.0003403800000000, 0.0003559000000000, 0.0005344000000000 ] - [ 0.0005226500000000, 0.0011697400000000, 0.0006601000000000 ] - [ 0.0000905600000000, 0.0002567900000000, 0.0000770200000000 ] - [ 0.0003862600000000, -0.0002904500000000, 0.0002612100000000 ] - [ 0.0001619600000000, 0.0001610000000000, -0.0002447400000000 ] - [ 0.0012652100000000, -0.0000423400000000, -0.0003515200000000 ] - [ 0.0009664000000000, 0.0003103300000000, 0.0008947800000000 ] - [ 0.0000231500000000, -0.0003020700000000, 0.0002767400000000 ] - [ -0.0004345900000000, 0.0003865400000000, -0.0006715300000000 ] - [ 0.0002424800000000, -0.0004797700000000, -0.0005222900000000 ] - [ 0.0003369700000000, 0.0001040000000000, -0.0003107600000000 ] - [ 0.0001637900000000, 0.0003543100000000, 0.0006907800000000 ] - [ -0.0222224200000000, 0.0053917700000000, 0.0280814700000000 ] - [ 0.0000954400000000, -0.0000610600000000, 0.0000177700000000 ] - [ 0.0004743100000000, -0.0001471200000000, 0.0000225700000000 ] - [ -0.0001505800000000, 0.0001639400000000, -0.0001284700000000 ] - [ -0.0002456700000000, 0.0001344300000000, -0.0004292900000000 ] - [ 0.0002491400000000, 0.0000760200000000, -0.0001547800000000 ] - [ 0.0000318900000000, 0.0001585100000000, -0.0001710900000000 ] - [ 0.0000841200000000, -0.0000298200000000, -0.0002935300000000 ] - [ 0.0004648600000000, 0.0001169500000000, -0.0004161400000000 ] - [ 0.0001433700000000, -0.0001006200000000, 0.0002189600000000 ] - [ 0.0000156600000000, 0.0002653800000000, 0.0000066300000000 ] - [ 0.0000264600000000, -0.0001359400000000, 0.0001928800000000 ] - [ -0.0000095000000000, -0.0002771000000000, -0.0003341100000000 ] - [ -0.0004171200000000, 0.0005047000000000, -0.0007188000000000 ] - [ -0.0020113800000000, 0.0000195700000000, 0.0005878200000000 ] - [ 0.0002238000000000, -0.0002818500000000, -0.0001029600000000 ] - [ -0.0011272500000000, -0.0010477000000000, -0.0006619700000000 ] - [ 0.0009151400000000, -0.0005799800000000, -0.0000140300000000 ] - [ -0.0001675400000000, 0.0001290800000000, 0.0000169200000000 ] - [ -0.0000244200000000, 0.0000117300000000, -0.0002690400000000 ] - [ 0.0000321000000000, -0.0003085200000000, 0.0000415000000000 ] - [ 0.0005582800000000, -0.0000271200000000, 0.0001780500000000 ] - [ 0.0001914600000000, 0.0003534300000000, -0.0001765900000000 ] - [ -0.0001758600000000, 0.0005150800000000, 0.0002993300000000 ] - [ 0.0018121200000000, 0.0000349100000000, -0.0008978500000000 ] - [ 0.0001392500000000, -0.0001620800000000, -0.0000844000000000 ] - [ -0.0001563700000000, -0.0001103100000000, 0.0004406400000000 ] - [ -0.0009340300000000, -0.0002724900000000, -0.0005916100000000 ] - [ -0.0004190700000000, -0.0003959300000000, -0.0004532300000000 ] - [ -0.0006139900000000, -0.0010187400000000, -0.0005524400000000 ] - [ -0.0002346500000000, 0.0001583900000000, -0.0001115100000000 ] - [ 0.0005334900000000, 0.0004988200000000, 0.0007223600000000 ] - [ -0.0002141400000000, 0.0001420200000000, -0.0005552400000000 ] - [ -0.0000558300000000, 0.0004978100000000, -0.0001390400000000 ]- atom: 56 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ 0.0001344800000000, 0.0002500700000000, 0.0005773900000000 ] - [ 0.0000829600000000, 0.0000218800000000, -0.0000239100000000 ] - [ 0.0002576600000000, -0.0000388500000000, -0.0000065800000000 ] - [ -0.0001198800000000, -0.0000196900000000, 0.0000641700000000 ] - [ 0.0000049500000000, 0.0000415600000000, 0.0000752700000000 ] - [ -0.0003387600000000, 0.0003466900000000, 0.0000154600000000 ] - [ -0.0001704500000000, 0.0001161300000000, 0.0002252800000000 ] - [ -0.0000331100000000, 0.0000954800000000, -0.0006877100000000 ] - [ -0.0004334900000000, 0.0002691000000000, -0.0001540800000000 ] - [ -0.0004848900000000, -0.0001359000000000, 0.0000575000000000 ] - [ -0.0001427400000000, 0.0000882600000000, 0.0002161300000000 ] - [ 0.0000300100000000, -0.0000209100000000, -0.0002052200000000 ] - [ -0.0006024500000000, 0.0001112700000000, 0.0002023800000000 ] - [ 0.0039182300000000, 0.0000327900000000, -0.0023974400000000 ] - [ -0.0000751400000000, -0.0000539600000000, 0.0001791200000000 ] - [ 0.0000469800000000, -0.0002004000000000, -0.0004743000000000 ] - [ -0.0002168600000000, 0.0001045900000000, -0.0000563300000000 ] - [ -0.0001049200000000, 0.0001579500000000, -0.0000458600000000 ] - [ 0.0001938400000000, 0.0000083400000000, -0.0001790700000000 ] - [ 0.0004157700000000, 0.0000951100000000, 0.0000056400000000 ] - [ -0.0000671500000000, -0.0004420100000000, -0.0000319100000000 ] - [ 0.0000958100000000, 0.0002320300000000, -0.0002925800000000 ] - [ -0.0002355400000000, -0.0001107000000000, -0.0000651800000000 ] - [ -0.0002440900000000, 0.0001261200000000, -0.0000379200000000 ] - [ -0.0003130600000000, 0.0001910400000000, -0.0000600900000000 ] - [ -0.0001008900000000, -0.0004005400000000, 0.0001915600000000 ] - [ 0.0003493000000000, -0.0005763600000000, 0.0000212200000000 ] - [ -0.0002148600000000, -0.0002540500000000, 0.0001819300000000 ] - [ 0.0002095000000000, 0.0001636900000000, -0.0001128400000000 ] - [ -0.0000122500000000, 0.0000119200000000, -0.0000608300000000 ] - [ 0.0002324800000000, 0.0002454900000000, -0.0001010300000000 ] - [ 0.0035161400000000, -0.0004626900000000, -0.0016122600000000 ] - [ 0.0211335800000000, 0.0041132800000000, 0.0199714200000000 ] - [ 0.0005760400000000, -0.0004275500000000, -0.0009686600000000 ] - [ -0.0002181400000000, 0.0001267400000000, -0.0000193800000000 ] - [ -0.0003697200000000, -0.0000915700000000, -0.0003303800000000 ] - [ 0.0050855900000000, 0.0002645100000000, 0.0025289800000000 ] - [ -0.0002185100000000, 0.0000653400000000, -0.0003164200000000 ] - [ -0.0003814900000000, -0.0006406400000000, -0.0002406300000000 ] - [ -0.0000171000000000, -0.0000672800000000, 0.0000138400000000 ] - [ -0.0001345500000000, -0.0000040100000000, -0.0001007500000000 ] - [ 0.0002684800000000, -0.0003878100000000, 0.0000129600000000 ] - [ 0.0021783400000000, 0.0013435500000000, 0.0001437800000000 ] - [ -0.0003631700000000, -0.0002055500000000, -0.0001421900000000 ] - [ 0.0001867000000000, 0.0001391000000000, 0.0002775100000000 ] - [ 0.0000895100000000, 0.0000313600000000, 0.0000827700000000 ] - [ 0.0000723400000000, 0.0001505500000000, -0.0000779700000000 ] - [ 0.0002930500000000, 0.0000800500000000, 0.0002086100000000 ] - [ -0.0000870500000000, -0.0000490100000000, -0.0001155800000000 ] - [ 0.0000882400000000, -0.0001351200000000, -0.0000095100000000 ] - [ 0.0001162000000000, 0.0004085500000000, 0.0002025200000000 ] - [ 0.0002264200000000, -0.0003486100000000, -0.0001001200000000 ] - [ 0.0003878100000000, 0.0002920800000000, -0.0000725400000000 ] - [ -0.0006599200000000, -0.0006953400000000, 0.0002420000000000 ] - [ 0.0000416500000000, 0.0001252900000000, 0.0002193400000000 ] - [ -0.0382393200000000, -0.0082974300000000, -0.0188877300000000 ] - [ -0.0003245700000000, 0.0000698700000000, 0.0002258400000000 ] - [ -0.0002060000000000, -0.0000728200000000, -0.0003920600000000 ] - [ 0.0001188500000000, 0.0003291100000000, -0.0001318500000000 ] - [ 0.0013656300000000, 0.0040945100000000, -0.0010235800000000 ] - [ 0.0004082800000000, 0.0000594700000000, -0.0001851700000000 ] - [ 0.0039683000000000, 0.0004376400000000, 0.0019241600000000 ] - [ 0.0002212000000000, -0.0003822600000000, 0.0004454500000000 ] - [ 0.0001440100000000, -0.0000685300000000, 0.0001622700000000 ] - [ 0.0009260900000000, 0.0001970900000000, 0.0004158500000000 ] - [ -0.0000312300000000, -0.0000263600000000, 0.0001184400000000 ] - [ -0.0002330300000000, -0.0004365200000000, 0.0000311100000000 ] - [ -0.0004021900000000, 0.0000167700000000, 0.0003191900000000 ] - [ -0.0001019700000000, -0.0000180700000000, -0.0001050200000000 ] - [ 0.0000962100000000, -0.0000988000000000, 0.0001769200000000 ] - [ -0.0003125200000000, 0.0000136800000000, 0.0002332200000000 ] - [ -0.0004378000000000, 0.0001506300000000, -0.0000730200000000 ] - [ -0.0000465600000000, 0.0001852000000000, -0.0000733200000000 ] - [ -0.0002669400000000, 0.0004381700000000, -0.0001437500000000 ] - [ -0.0002815100000000, 0.0000314100000000, 0.0003704900000000 ] - [ 0.0003137700000000, -0.0000092500000000, 0.0002689200000000 ] - [ -0.0004937700000000, 0.0001416600000000, -0.0007567700000000 ] - [ -0.0002805500000000, 0.0004826200000000, 0.0000293700000000 ] - [ 0.0000519600000000, -0.0003632600000000, 0.0000579000000000 ] - [ 0.0001567500000000, -0.0004436000000000, -0.0001976000000000 ] - [ 0.0000559800000000, -0.0000482000000000, 0.0002490600000000 ] - [ 0.0001345200000000, 0.0002922200000000, 0.0004130200000000 ] - [ -0.0002141400000000, -0.0002700900000000, -0.0000247700000000 ] - [ 0.0005325500000000, -0.0000146500000000, -0.0003540400000000 ] - [ 0.0001681100000000, 0.0004890300000000, 0.0001207500000000 ] - [ 0.0002143100000000, -0.0001364300000000, 0.0004677700000000 ] - [ -0.0009831200000000, -0.0010104100000000, -0.0002705000000000 ] - [ 0.0001068100000000, 0.0001862500000000, -0.0002281000000000 ]- atom: 56 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0003014000000000, 0.0002434400000000, -0.0000153600000000 ] - [ 0.0000398800000000, 0.0001106200000000, 0.0000468600000000 ] - [ 0.0001956700000000, -0.0001260500000000, -0.0000115500000000 ] - [ -0.0003013400000000, 0.0000176400000000, 0.0001651100000000 ] - [ -0.0000615700000000, 0.0000090200000000, 0.0001687200000000 ] - [ -0.0001315900000000, -0.0006364500000000, -0.0000328900000000 ] - [ -0.0002513600000000, -0.0001112700000000, 0.0000000400000000 ] - [ 0.0001564800000000, -0.0002261400000000, 0.0007122700000000 ] - [ 0.0000157500000000, 0.0001678300000000, 0.0004292200000000 ] - [ 0.0009215000000000, -0.0000301900000000, -0.0000428500000000 ] - [ 0.0005692400000000, -0.0000866100000000, -0.0004493000000000 ] - [ 0.0000283400000000, 0.0000723000000000, -0.0000363000000000 ] - [ 0.0001621200000000, -0.0003192500000000, -0.0002184700000000 ] - [ -0.0033069600000000, 0.0001201900000000, 0.0022748300000000 ] - [ 0.0000191900000000, 0.0000015900000000, 0.0000646200000000 ] - [ 0.0001195000000000, -0.0002929900000000, -0.0000865800000000 ] - [ -0.0002221400000000, 0.0001027500000000, 0.0000390800000000 ] - [ -0.0000186200000000, -0.0000268600000000, 0.0000240300000000 ] - [ 0.0002271200000000, -0.0000105100000000, -0.0000488800000000 ] - [ 0.0000241900000000, 0.0001132200000000, 0.0000129400000000 ] - [ -0.0003847500000000, 0.0006055700000000, 0.0000480300000000 ] - [ 0.0000697600000000, 0.0002601300000000, -0.0002621900000000 ] - [ -0.0002185900000000, -0.0000515700000000, 0.0000828100000000 ] - [ -0.0002258900000000, 0.0001623400000000, 0.0000209600000000 ] - [ 0.0007306200000000, -0.0006291300000000, -0.0002276200000000 ] - [ -0.0000632500000000, -0.0000917400000000, 0.0003667500000000 ] - [ 0.0001227900000000, 0.0002894300000000, -0.0000051100000000 ] - [ -0.0002039100000000, -0.0001824300000000, 0.0000982400000000 ] - [ 0.0002602300000000, 0.0001248600000000, 0.0001312800000000 ] - [ -0.0001133700000000, -0.0001451700000000, 0.0000383900000000 ] - [ 0.0001831800000000, 0.0001905600000000, -0.0001805600000000 ] - [ -0.0035768400000000, 0.0004176500000000, 0.0014508200000000 ] - [ -0.0215179300000000, -0.0043773400000000, -0.0206919200000000 ] - [ -0.0013950000000000, 0.0003621100000000, 0.0008536400000000 ] - [ -0.0005962900000000, -0.0000668400000000, -0.0001226900000000 ] - [ -0.0000794500000000, 0.0000100300000000, -0.0001110400000000 ] - [ -0.0046214000000000, -0.0008035000000000, -0.0019499600000000 ] - [ -0.0002413500000000, 0.0003011400000000, -0.0002371200000000 ] - [ -0.0000737700000000, 0.0002708400000000, -0.0003115500000000 ] - [ -0.0000025400000000, 0.0000416800000000, 0.0000587600000000 ] - [ 0.0001153400000000, 0.0000307500000000, 0.0001757400000000 ] - [ 0.0005437800000000, 0.0003314700000000, 0.0001303900000000 ] - [ -0.0017278400000000, -0.0012634700000000, 0.0002926400000000 ] - [ -0.0000867300000000, 0.0002856100000000, -0.0003010100000000 ] - [ 0.0002768600000000, 0.0002313000000000, 0.0002737900000000 ] - [ 0.0003710500000000, -0.0001107000000000, 0.0003592300000000 ] - [ -0.0000551900000000, -0.0001805800000000, 0.0000077200000000 ] - [ 0.0005254400000000, -0.0000233500000000, -0.0000579200000000 ] - [ 0.0000400500000000, -0.0000128700000000, -0.0002536000000000 ] - [ -0.0000641400000000, -0.0001278700000000, -0.0001376000000000 ] - [ 0.0002303800000000, -0.0000658400000000, 0.0004202700000000 ] - [ 0.0000678500000000, -0.0005124600000000, -0.0003113700000000 ] - [ 0.0000986900000000, -0.0001657100000000, -0.0003212700000000 ] - [ 0.0001728400000000, 0.0008299100000000, 0.0001569300000000 ] - [ 0.0000083800000000, 0.0001339700000000, 0.0001293500000000 ] - [ 0.0389405500000000, 0.0088753100000000, 0.0199185000000000 ] - [ 0.0011787200000000, -0.0003818900000000, -0.0000749800000000 ] - [ -0.0001415300000000, -0.0002698100000000, -0.0002301300000000 ] - [ -0.0004027800000000, -0.0001698800000000, -0.0001717000000000 ] - [ -0.0013625200000000, -0.0037911400000000, 0.0011530800000000 ] - [ -0.0003965300000000, 0.0002036300000000, 0.0000412100000000 ] - [ -0.0041003100000000, -0.0007124500000000, -0.0023015700000000 ] - [ -0.0000718000000000, -0.0001488900000000, 0.0002417500000000 ] - [ 0.0001386500000000, -0.0000885700000000, 0.0001407100000000 ] - [ -0.0008819500000000, -0.0001348500000000, -0.0000495400000000 ] - [ 0.0000108700000000, -0.0002379400000000, 0.0000287800000000 ] - [ 0.0000815200000000, -0.0000931300000000, -0.0007213100000000 ] - [ 0.0002517600000000, 0.0005152500000000, -0.0010128200000000 ] - [ -0.0001793800000000, -0.0001391400000000, -0.0001997200000000 ] - [ -0.0000454000000000, -0.0001607700000000, 0.0001718700000000 ] - [ -0.0001727300000000, -0.0001409600000000, 0.0001582700000000 ] - [ -0.0004262800000000, 0.0001486000000000, -0.0001020100000000 ] - [ -0.0000035800000000, 0.0000758000000000, -0.0002762000000000 ] - [ 0.0002212200000000, -0.0003873600000000, -0.0002288100000000 ] - [ -0.0000119100000000, -0.0008867900000000, 0.0000421200000000 ] - [ 0.0005499600000000, 0.0003112400000000, -0.0000980400000000 ] - [ 0.0005968300000000, 0.0004434400000000, 0.0006189200000000 ] - [ -0.0000122100000000, 0.0003766800000000, 0.0003821500000000 ] - [ -0.0001555300000000, -0.0002216300000000, 0.0000754100000000 ] - [ -0.0000539000000000, -0.0001518900000000, 0.0000722900000000 ] - [ -0.0000099600000000, -0.0000137100000000, 0.0001197900000000 ] - [ 0.0000146800000000, 0.0002393000000000, 0.0002736700000000 ] - [ -0.0006489600000000, -0.0000311100000000, -0.0001509600000000 ] - [ -0.0000439200000000, -0.0001101600000000, -0.0000471400000000 ] - [ -0.0002714000000000, 0.0000952300000000, 0.0000156100000000 ] - [ 0.0001330100000000, -0.0002060200000000, 0.0001546100000000 ] - [ 0.0006345300000000, 0.0013602100000000, -0.0003641100000000 ] - [ 0.0001873100000000, 0.0006723400000000, -0.0001884500000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000650200000000, 0.0003062000000000, 0.0005088300000000 ] - [ -0.0000376900000000, 0.0001175100000000, 0.0000496100000000 ] - [ 0.0002644800000000, -0.0000339100000000, -0.0000562600000000 ] - [ -0.0001223400000000, 0.0000074700000000, -0.0001090500000000 ] - [ 0.0001151100000000, -0.0000283800000000, 0.0000488500000000 ] - [ -0.0001071800000000, 0.0000914600000000, 0.0001300300000000 ] - [ -0.0000160900000000, -0.0006764800000000, 0.0005020900000000 ] - [ 0.0000222400000000, 0.0000106500000000, -0.0002563200000000 ] - [ -0.0004118300000000, 0.0002324000000000, -0.0000526900000000 ] - [ 0.0003912100000000, 0.0013964500000000, 0.0002848000000000 ] - [ 0.0000242800000000, 0.0000706800000000, 0.0000940000000000 ] - [ -0.0001640000000000, 0.0002337500000000, -0.0007098100000000 ] - [ -0.0004103300000000, -0.0000108300000000, 0.0001179800000000 ] - [ 0.0003298900000000, 0.0004273300000000, 0.0003599000000000 ] - [ -0.0000703500000000, -0.0000636100000000, 0.0001592400000000 ] - [ 0.0001389800000000, -0.0002110400000000, -0.0004108000000000 ] - [ -0.0002183100000000, 0.0001111000000000, -0.0000605000000000 ] - [ -0.0000451800000000, -0.0000122900000000, 0.0000768000000000 ] - [ 0.0001947600000000, 0.0000046400000000, -0.0001904400000000 ] - [ 0.0002616400000000, 0.0001191500000000, -0.0000988400000000 ] - [ -0.0003883000000000, -0.0004391800000000, 0.0001898400000000 ] - [ 0.0001657300000000, 0.0002453900000000, -0.0001397100000000 ] - [ -0.0002734900000000, -0.0001164600000000, -0.0001927800000000 ] - [ -0.0002706000000000, 0.0001524800000000, -0.0001009000000000 ] - [ 0.0005896400000000, -0.0002284300000000, -0.0000204000000000 ] - [ -0.0002459500000000, -0.0004231700000000, -0.0000492300000000 ] - [ -0.0001348100000000, -0.0003085500000000, 0.0001807400000000 ] - [ -0.0002110300000000, -0.0002442200000000, 0.0001357200000000 ] - [ 0.0001798800000000, 0.0001811000000000, -0.0001236200000000 ] - [ 0.0003159600000000, -0.0003133000000000, -0.0001182300000000 ] - [ 0.0005217500000000, 0.0001651000000000, -0.0003646200000000 ] - [ -0.0006932000000000, 0.0005525800000000, 0.0004613900000000 ] - [ 0.0030794000000000, 0.0054042300000000, 0.0029800100000000 ] - [ 0.0010079000000000, 0.0014728800000000, -0.0049130600000000 ] - [ 0.0001279600000000, -0.0000546500000000, -0.0000922900000000 ] - [ -0.0002633200000000, -0.0000306800000000, -0.0002902400000000 ] - [ 0.0011701200000000, 0.0452792400000000, -0.0104471500000000 ] - [ -0.0002277000000000, 0.0001179000000000, -0.0003483100000000 ] - [ 0.0005336600000000, -0.0002110000000000, -0.0002194500000000 ] - [ -0.0000343500000000, -0.0001299500000000, -0.0000134000000000 ] - [ 0.0000682400000000, -0.0000277000000000, 0.0001195400000000 ] - [ 0.0002498900000000, 0.0000812400000000, -0.0000066600000000 ] - [ -0.0000146400000000, 0.0018589500000000, 0.0003844200000000 ] - [ -0.0004491900000000, -0.0001718800000000, -0.0000814400000000 ] - [ 0.0001961700000000, 0.0001343600000000, 0.0002063600000000 ] - [ 0.0004746000000000, -0.0003999700000000, 0.0006343900000000 ] - [ -0.0000298200000000, 0.0001217500000000, -0.0000586700000000 ] - [ 0.0002965800000000, 0.0001474000000000, -0.0003394800000000 ] - [ -0.0001248000000000, 0.0001085800000000, -0.0000783600000000 ] - [ 0.0000222100000000, -0.0002263800000000, 0.0000907200000000 ] - [ 0.0000515000000000, 0.0003385200000000, 0.0001692700000000 ] - [ 0.0002340300000000, -0.0004011600000000, -0.0000813300000000 ] - [ 0.0003429600000000, 0.0000007000000000, -0.0002385600000000 ] - [ -0.0007979200000000, -0.0000350200000000, 0.0006371200000000 ] - [ -0.0000134600000000, 0.0002133900000000, 0.0003136200000000 ] - [ -0.0085030000000000, -0.0649302800000000, 0.0075409600000000 ] - [ 0.0020433100000000, 0.0023364900000000, 0.0031418300000000 ] - [ -0.0002005700000000, 0.0000385000000000, -0.0003502500000000 ] - [ -0.0003897100000000, 0.0005339200000000, -0.0002045000000000 ] - [ 0.0013363000000000, 0.0020308000000000, -0.0002980100000000 ] - [ -0.0007029200000000, 0.0003569400000000, 0.0000309300000000 ] - [ 0.0008303500000000, -0.0010463300000000, -0.0002211700000000 ] - [ 0.0001172300000000, -0.0003030300000000, 0.0003671300000000 ] - [ 0.0001312600000000, -0.0000494200000000, 0.0002343000000000 ] - [ 0.0002955700000000, -0.0000236600000000, 0.0003092000000000 ] - [ -0.0000596400000000, -0.0000292900000000, 0.0001440000000000 ] - [ 0.0003123600000000, 0.0006318900000000, -0.0007140500000000 ] - [ -0.0001220000000000, 0.0000308200000000, -0.0001252300000000 ] - [ -0.0000789300000000, 0.0000015200000000, -0.0000611900000000 ] - [ 0.0000625300000000, -0.0000983600000000, 0.0001548600000000 ] - [ -0.0004110000000000, 0.0006815400000000, 0.0006275400000000 ] - [ -0.0004162700000000, 0.0001832000000000, -0.0000439300000000 ] - [ 0.0000011700000000, 0.0001273900000000, -0.0001160600000000 ] - [ -0.0002244100000000, 0.0025133800000000, 0.0005873600000000 ] - [ 0.0000668300000000, -0.0004857000000000, 0.0009052300000000 ] - [ 0.0004474900000000, 0.0000644800000000, 0.0000413900000000 ] - [ -0.0001997700000000, -0.0000941700000000, 0.0002677400000000 ] - [ -0.0002788300000000, 0.0006319700000000, -0.0000295300000000 ] - [ -0.0000410900000000, -0.0003336600000000, 0.0000951400000000 ] - [ -0.0002239700000000, 0.0004093700000000, -0.0005836300000000 ] - [ 0.0000414000000000, -0.0000828900000000, 0.0003107200000000 ] - [ 0.0001993400000000, 0.0004050600000000, 0.0003604400000000 ] - [ -0.0002850100000000, -0.0001900800000000, -0.0001046400000000 ] - [ 0.0004114400000000, -0.0000089300000000, -0.0001005500000000 ] - [ 0.0000834600000000, 0.0005347100000000, 0.0000804900000000 ] - [ 0.0001881000000000, -0.0001497300000000, 0.0003861800000000 ] - [ -0.0004748300000000, 0.0011971600000000, -0.0014453100000000 ] - [ 0.0005139500000000, 0.0002100700000000, 0.0002399700000000 ]- atom: 56 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000985400000000, 0.0001873000000000, 0.0000549800000000 ] - [ 0.0001619200000000, 0.0000151300000000, -0.0000259100000000 ] - [ 0.0001899100000000, -0.0001299400000000, 0.0000386600000000 ] - [ -0.0002960600000000, -0.0000110800000000, 0.0003350400000000 ] - [ -0.0001688800000000, 0.0000775900000000, 0.0001959400000000 ] - [ -0.0003651700000000, -0.0003769300000000, -0.0001434800000000 ] - [ -0.0004039600000000, 0.0006862500000000, -0.0002739100000000 ] - [ 0.0001015100000000, -0.0001412700000000, 0.0002785700000000 ] - [ -0.0000070100000000, 0.0002030600000000, 0.0003272200000000 ] - [ 0.0000374000000000, -0.0017144500000000, -0.0002542500000000 ] - [ 0.0003942000000000, -0.0000654200000000, -0.0003193000000000 ] - [ 0.0002196600000000, -0.0001835200000000, 0.0004657200000000 ] - [ -0.0000291600000000, -0.0001961900000000, -0.0001343000000000 ] - [ 0.0001072900000000, -0.0002597600000000, -0.0003681200000000 ] - [ 0.0000156700000000, 0.0000115500000000, 0.0000873500000000 ] - [ 0.0000277300000000, -0.0002821400000000, -0.0001521500000000 ] - [ -0.0002185200000000, 0.0000975200000000, 0.0000416800000000 ] - [ -0.0000803600000000, 0.0001444600000000, -0.0001033800000000 ] - [ 0.0002248800000000, -0.0000069300000000, -0.0000368600000000 ] - [ 0.0001767500000000, 0.0000910700000000, 0.0001159800000000 ] - [ -0.0000655700000000, 0.0006037300000000, -0.0001707900000000 ] - [ -0.0000004500000000, 0.0002483000000000, -0.0004172600000000 ] - [ -0.0001809200000000, -0.0000465500000000, 0.0002093100000000 ] - [ -0.0002017800000000, 0.0001352300000000, 0.0000858900000000 ] - [ -0.0001712100000000, -0.0001997800000000, -0.0002758400000000 ] - [ 0.0000797700000000, -0.0000732700000000, 0.0006044900000000 ] - [ 0.0006085400000000, 0.0000185600000000, -0.0001651700000000 ] - [ -0.0002076300000000, -0.0001923200000000, 0.0001450400000000 ] - [ 0.0002911200000000, 0.0001067500000000, 0.0001359200000000 ] - [ -0.0004391600000000, 0.0001800600000000, 0.0000909400000000 ] - [ -0.0001046000000000, 0.0002702000000000, 0.0000854900000000 ] - [ 0.0007558300000000, -0.0006031300000000, -0.0007126800000000 ] - [ -0.0030893700000000, -0.0053649300000000, -0.0030702300000000 ] - [ -0.0018137400000000, -0.0014742200000000, 0.0047635000000000 ] - [ -0.0009382900000000, 0.0001183600000000, -0.0000557300000000 ] - [ -0.0001834800000000, -0.0000533300000000, -0.0001500900000000 ] - [ -0.0004700700000000, -0.0437413400000000, 0.0103779200000000 ] - [ -0.0002315400000000, 0.0002546100000000, -0.0002038800000000 ] - [ -0.0009936800000000, -0.0001658300000000, -0.0003385100000000 ] - [ 0.0000140000000000, 0.0001084200000000, 0.0000803300000000 ] - [ -0.0000896300000000, 0.0000520400000000, -0.0000525200000000 ] - [ 0.0005578500000000, -0.0001509300000000, 0.0001590400000000 ] - [ 0.0004768800000000, -0.0017616600000000, 0.0000550800000000 ] - [ 0.0000019900000000, 0.0002602500000000, -0.0003584100000000 ] - [ 0.0002623700000000, 0.0002369000000000, 0.0003446300000000 ] - [ -0.0000355000000000, 0.0003214800000000, -0.0001865400000000 ] - [ 0.0000584300000000, -0.0001576800000000, -0.0000225200000000 ] - [ 0.0005164900000000, -0.0000897600000000, 0.0004740500000000 ] - [ 0.0000771100000000, -0.0001728500000000, -0.0002892700000000 ] - [ 0.0000003100000000, -0.0000390500000000, -0.0002360900000000 ] - [ 0.0002894700000000, -0.0000003800000000, 0.0004523400000000 ] - [ 0.0000570100000000, -0.0004586600000000, -0.0003340800000000 ] - [ 0.0001480500000000, 0.0001285700000000, -0.0001559200000000 ] - [ 0.0003066800000000, 0.0001624000000000, -0.0002359300000000 ] - [ 0.0000656300000000, 0.0000466400000000, 0.0000358200000000 ] - [ 0.0085695500000000, 0.0631312900000000, -0.0065520100000000 ] - [ -0.0012027700000000, -0.0026843100000000, -0.0030147300000000 ] - [ -0.0001406500000000, -0.0003748900000000, -0.0002711300000000 ] - [ 0.0001094700000000, -0.0003713400000000, -0.0000966300000000 ] - [ -0.0013436400000000, -0.0017209800000000, 0.0004274500000000 ] - [ 0.0007332500000000, -0.0000904600000000, -0.0001769300000000 ] - [ -0.0008708000000000, 0.0007876300000000, -0.0001232800000000 ] - [ 0.0000319300000000, -0.0002304900000000, 0.0003202600000000 ] - [ 0.0001497700000000, -0.0001112900000000, 0.0000657600000000 ] - [ -0.0002448200000000, 0.0000909100000000, 0.0000611600000000 ] - [ 0.0000396300000000, -0.0002336200000000, 0.0000027500000000 ] - [ -0.0004736000000000, -0.0011739500000000, 0.0000364500000000 ] - [ -0.0000287500000000, 0.0004977600000000, -0.0005555300000000 ] - [ -0.0002001800000000, -0.0001616900000000, -0.0002397300000000 ] - [ -0.0000089200000000, -0.0001599900000000, 0.0001923500000000 ] - [ -0.0000758600000000, -0.0008086100000000, -0.0002337600000000 ] - [ -0.0004480500000000, 0.0001176000000000, -0.0001316800000000 ] - [ -0.0000507800000000, 0.0001350400000000, -0.0002304800000000 ] - [ 0.0001745000000000, -0.0024125000000000, -0.0009512800000000 ] - [ -0.0003550200000000, -0.0003679100000000, -0.0004794900000000 ] - [ 0.0004164800000000, 0.0002353600000000, 0.0001342600000000 ] - [ 0.0003050200000000, 0.0006772300000000, -0.0003954800000000 ] - [ -0.0000132000000000, 0.0002251900000000, 0.0004446400000000 ] - [ -0.0000665400000000, -0.0002504300000000, 0.0000382700000000 ] - [ 0.0003373100000000, -0.0009940700000000, 0.0004584300000000 ] - [ 0.0000042900000000, 0.0000183500000000, 0.0000594500000000 ] - [ -0.0000516400000000, 0.0001257300000000, 0.0003281600000000 ] - [ -0.0005758000000000, -0.0001125800000000, -0.0000719300000000 ] - [ 0.0000758600000000, -0.0001168600000000, -0.0002927000000000 ] - [ -0.0001916700000000, 0.0000492500000000, 0.0000564900000000 ] - [ 0.0001567600000000, -0.0001889900000000, 0.0002347500000000 ] - [ 0.0001179900000000, -0.0008267100000000, 0.0008059600000000 ] - [ -0.0002192700000000, 0.0006471500000000, -0.0006476500000000 ]- atom: 56 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ 0.0001076500000000, 0.0005048400000000, 0.0003309800000000 ] - [ 0.0000512400000000, 0.0001181900000000, -0.0000472100000000 ] - [ 0.0002679900000000, -0.0000306400000000, -0.0000458200000000 ] - [ -0.0002136200000000, -0.0000432100000000, -0.0001146500000000 ] - [ 0.0001031100000000, -0.0000380300000000, 0.0000783200000000 ] - [ -0.0002274400000000, -0.0001271500000000, 0.0002289200000000 ] - [ -0.0001455000000000, 0.0003615800000000, 0.0002688000000000 ] - [ -0.0001838800000000, -0.0000851600000000, 0.0000520200000000 ] - [ -0.0003066200000000, 0.0001190100000000, 0.0002214400000000 ] - [ 0.0002780800000000, 0.0002762000000000, -0.0006146700000000 ] - [ 0.0002527800000000, 0.0000007300000000, 0.0000367500000000 ] - [ 0.0000471900000000, -0.0002244100000000, -0.0000754200000000 ] - [ -0.0002854500000000, -0.0000596100000000, 0.0000507700000000 ] - [ -0.0029477600000000, 0.0003802900000000, 0.0023480200000000 ] - [ -0.0000387200000000, -0.0000043200000000, 0.0001460600000000 ] - [ 0.0002698200000000, -0.0002549200000000, -0.0004789400000000 ] - [ -0.0001979000000000, 0.0001242000000000, -0.0000283200000000 ] - [ -0.0001711200000000, 0.0004127700000000, -0.0001759800000000 ] - [ 0.0001941800000000, -0.0000129600000000, -0.0001656500000000 ] - [ 0.0004185600000000, 0.0001248500000000, -0.0004206100000000 ] - [ -0.0003842400000000, 0.0000954800000000, 0.0000200800000000 ] - [ 0.0000200600000000, 0.0003893900000000, -0.0003100300000000 ] - [ -0.0002204100000000, -0.0001249800000000, -0.0001085600000000 ] - [ -0.0002514200000000, 0.0001191700000000, -0.0000322700000000 ] - [ 0.0009137300000000, 0.0002640000000000, 0.0027167900000000 ] - [ -0.0001529100000000, -0.0003588800000000, 0.0001308700000000 ] - [ 0.0003438600000000, -0.0001226600000000, 0.0000363100000000 ] - [ -0.0002172200000000, -0.0002257100000000, 0.0001612100000000 ] - [ 0.0001139000000000, 0.0001583000000000, -0.0004963500000000 ] - [ 0.0000749800000000, -0.0002342800000000, -0.0000069100000000 ] - [ 0.0001678600000000, -0.0000075500000000, -0.0000913600000000 ] - [ -0.0010029200000000, 0.0004791500000000, 0.0008551400000000 ] - [ 0.0176915500000000, 0.0035468600000000, 0.0261908500000000 ] - [ -0.0002219700000000, 0.0004965700000000, -0.0015220100000000 ] - [ -0.0002143200000000, 0.0002131400000000, 0.0000593000000000 ] - [ -0.0002604600000000, -0.0001384900000000, -0.0004000700000000 ] - [ 0.0007217200000000, -0.0144096400000000, 0.0106249700000000 ] - [ -0.0002828700000000, 0.0000408200000000, -0.0004503900000000 ] - [ -0.0004292900000000, -0.0001947600000000, -0.0002340700000000 ] - [ -0.0000668800000000, -0.0000148200000000, -0.0000259400000000 ] - [ 0.0000393200000000, 0.0000177500000000, -0.0000095500000000 ] - [ 0.0004109000000000, -0.0002167500000000, 0.0000727400000000 ] - [ 0.0040607700000000, 0.0026707000000000, 0.0015509800000000 ] - [ -0.0002557300000000, 0.0000259400000000, -0.0001572400000000 ] - [ 0.0001669500000000, 0.0001078600000000, 0.0002650300000000 ] - [ 0.0001490200000000, 0.0000873000000000, 0.0000099600000000 ] - [ 0.0001881300000000, 0.0004011900000000, -0.0002166600000000 ] - [ 0.0004007800000000, 0.0003527800000000, -0.0006186500000000 ] - [ -0.0000913700000000, -0.0002380600000000, -0.0001065100000000 ] - [ -0.0000251700000000, -0.0001729900000000, 0.0002065200000000 ] - [ 0.0001586500000000, 0.0001813600000000, 0.0002296600000000 ] - [ 0.0001719700000000, -0.0003607500000000, -0.0001078600000000 ] - [ 0.0003021200000000, 0.0001257300000000, -0.0002760400000000 ] - [ -0.0006499100000000, 0.0007926700000000, 0.0005003300000000 ] - [ 0.0000246600000000, 0.0000447800000000, 0.0003071200000000 ] - [ -0.0170966100000000, 0.0076468600000000, -0.0445163000000000 ] - [ 0.0000483400000000, 0.0001825200000000, -0.0003949900000000 ] - [ -0.0001569600000000, -0.0001598100000000, -0.0002936900000000 ] - [ -0.0001369200000000, 0.0001186100000000, -0.0001735200000000 ] - [ -0.0004508300000000, -0.0002943700000000, -0.0009243700000000 ] - [ 0.0003232100000000, 0.0002298600000000, -0.0002023700000000 ] - [ -0.0001801700000000, -0.0004730800000000, -0.0010248300000000 ] - [ 0.0002626300000000, -0.0003127500000000, 0.0004685100000000 ] - [ 0.0001527900000000, -0.0001635100000000, 0.0001983200000000 ] - [ -0.0000137400000000, 0.0001558300000000, 0.0000884700000000 ] - [ -0.0000623100000000, -0.0000797400000000, 0.0001328800000000 ] - [ -0.0002627700000000, -0.0005306000000000, -0.0002074300000000 ] - [ 0.0002376400000000, -0.0005977600000000, 0.0014682100000000 ] - [ -0.0000940100000000, 0.0000082300000000, -0.0000499900000000 ] - [ 0.0000361600000000, -0.0001198300000000, 0.0001087300000000 ] - [ -0.0003176900000000, -0.0001548000000000, 0.0002286300000000 ] - [ -0.0004253800000000, 0.0001267800000000, -0.0000509300000000 ] - [ -0.0000612200000000, 0.0002272400000000, 0.0000944300000000 ] - [ -0.0000864600000000, 0.0012059800000000, -0.0000653500000000 ] - [ -0.0001104700000000, -0.0002040300000000, 0.0002268000000000 ] - [ 0.0002605800000000, -0.0001146100000000, 0.0010456800000000 ] - [ -0.0006406600000000, 0.0000414000000000, 0.0011407000000000 ] - [ -0.0002056700000000, 0.0003408500000000, 0.0000840200000000 ] - [ -0.0000262000000000, -0.0003082500000000, 0.0001357300000000 ] - [ 0.0000122000000000, -0.0003841200000000, 0.0000995900000000 ] - [ -0.0000092400000000, -0.0000934000000000, 0.0003089700000000 ] - [ 0.0000317200000000, 0.0003330800000000, 0.0003647100000000 ] - [ -0.0006175700000000, -0.0001464700000000, -0.0001884000000000 ] - [ 0.0006849700000000, 0.0000437700000000, -0.0001417100000000 ] - [ -0.0000478800000000, 0.0002341700000000, 0.0000085700000000 ] - [ 0.0002940200000000, -0.0001620600000000, 0.0005185200000000 ] - [ -0.0000430200000000, -0.0018763700000000, 0.0004141100000000 ] - [ 0.0000351000000000, -0.0000525100000000, 0.0007361200000000 ]- atom: 56 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0002750900000000, -0.0000127900000000, 0.0002299100000000 ] - [ 0.0000732400000000, 0.0000151100000000, 0.0000718000000000 ] - [ 0.0001861800000000, -0.0001327200000000, 0.0000283300000000 ] - [ -0.0002077900000000, 0.0000393400000000, 0.0003428600000000 ] - [ -0.0001593400000000, 0.0000872000000000, 0.0001663800000000 ] - [ -0.0002412400000000, -0.0001583100000000, -0.0002456200000000 ] - [ -0.0002755500000000, -0.0003671000000000, -0.0000405100000000 ] - [ 0.0003113400000000, -0.0000441000000000, -0.0000309200000000 ] - [ -0.0001110700000000, 0.0003144200000000, 0.0000561000000000 ] - [ 0.0001607700000000, -0.0004460900000000, 0.0006363700000000 ] - [ 0.0001662900000000, 0.0000027000000000, -0.0002602000000000 ] - [ 0.0000085800000000, 0.0002808000000000, -0.0001747800000000 ] - [ -0.0001517500000000, -0.0001482700000000, -0.0000689500000000 ] - [ 0.0034616700000000, -0.0002235000000000, -0.0023791800000000 ] - [ -0.0000172800000000, -0.0000486400000000, 0.0000981900000000 ] - [ -0.0001063800000000, -0.0002374800000000, -0.0000838900000000 ] - [ -0.0002397400000000, 0.0000834400000000, 0.0000112400000000 ] - [ 0.0000473000000000, -0.0002859700000000, 0.0001534300000000 ] - [ 0.0002275800000000, 0.0000110000000000, -0.0000634900000000 ] - [ 0.0000190400000000, 0.0000826800000000, 0.0004392800000000 ] - [ -0.0000718300000000, 0.0000718700000000, -0.0000014600000000 ] - [ 0.0001425200000000, 0.0001066200000000, -0.0002449400000000 ] - [ -0.0002337900000000, -0.0000384600000000, 0.0001257800000000 ] - [ -0.0002193900000000, 0.0001705300000000, 0.0000143000000000 ] - [ -0.0004466700000000, -0.0006871800000000, -0.0028913500000000 ] - [ -0.0000103700000000, -0.0001353600000000, 0.0004262900000000 ] - [ 0.0001239700000000, -0.0001675000000000, -0.0000171800000000 ] - [ -0.0002014400000000, -0.0002111400000000, 0.0001183700000000 ] - [ 0.0003582700000000, 0.0001289400000000, 0.0005160200000000 ] - [ -0.0001995500000000, 0.0001014800000000, -0.0000161800000000 ] - [ 0.0002538900000000, 0.0004448500000000, -0.0001909600000000 ] - [ 0.0010089000000000, -0.0005274800000000, -0.0010765900000000 ] - [ -0.0183588400000000, -0.0037852800000000, -0.0267464600000000 ] - [ -0.0005940100000000, -0.0005639800000000, 0.0013848200000000 ] - [ -0.0005928300000000, -0.0001525200000000, -0.0002108700000000 ] - [ -0.0001888900000000, 0.0000567200000000, -0.0000450100000000 ] - [ -0.0002975900000000, 0.0140650500000000, -0.0099681300000000 ] - [ -0.0001802200000000, 0.0003224100000000, -0.0001053800000000 ] - [ -0.0000263700000000, -0.0001713200000000, -0.0003223300000000 ] - [ 0.0000478000000000, -0.0000111400000000, 0.0000947300000000 ] - [ -0.0000563400000000, 0.0000081700000000, 0.0000811500000000 ] - [ 0.0003982800000000, 0.0001526000000000, 0.0000723100000000 ] - [ -0.0036586500000000, -0.0025859800000000, -0.0011757400000000 ] - [ -0.0001940300000000, 0.0000542600000000, -0.0002816800000000 ] - [ 0.0002918700000000, 0.0002591800000000, 0.0002949200000000 ] - [ 0.0002995600000000, -0.0001619000000000, 0.0004392000000000 ] - [ -0.0001700800000000, -0.0004318400000000, 0.0001344000000000 ] - [ 0.0004128800000000, -0.0002859200000000, 0.0007474200000000 ] - [ 0.0000432400000000, 0.0001805200000000, -0.0002603900000000 ] - [ 0.0000494800000000, -0.0000904100000000, -0.0003519100000000 ] - [ 0.0001857500000000, 0.0001623000000000, 0.0003908000000000 ] - [ 0.0001239200000000, -0.0004990900000000, -0.0003001800000000 ] - [ 0.0001842400000000, 0.0000004100000000, -0.0001166400000000 ] - [ 0.0001609400000000, -0.0006613200000000, -0.0001024500000000 ] - [ 0.0000249300000000, 0.0002175300000000, 0.0000427800000000 ] - [ 0.0180861400000000, -0.0073480300000000, 0.0451866600000000 ] - [ 0.0008199100000000, -0.0004625000000000, 0.0005708100000000 ] - [ -0.0001891900000000, -0.0001832700000000, -0.0003283700000000 ] - [ -0.0001488000000000, 0.0000395600000000, -0.0001302400000000 ] - [ 0.0004239100000000, 0.0005370100000000, 0.0010756500000000 ] - [ -0.0003053700000000, 0.0000369900000000, 0.0000582500000000 ] - [ 0.0001441800000000, 0.0002112400000000, 0.0006743900000000 ] - [ -0.0001142600000000, -0.0002182900000000, 0.0002191400000000 ] - [ 0.0001311200000000, 0.0000036600000000, 0.0001070300000000 ] - [ 0.0000642500000000, -0.0000940600000000, 0.0002834400000000 ] - [ 0.0000409700000000, -0.0001839700000000, 0.0000139100000000 ] - [ 0.0001075600000000, -0.0000049900000000, -0.0004766500000000 ] - [ -0.0003927900000000, 0.0011389800000000, -0.0021867000000000 ] - [ -0.0001869100000000, -0.0001650900000000, -0.0002541800000000 ] - [ 0.0000130600000000, -0.0001385700000000, 0.0002401500000000 ] - [ -0.0001681500000000, 0.0000357900000000, 0.0001701800000000 ] - [ -0.0004386000000000, 0.0001734500000000, -0.0001229500000000 ] - [ 0.0000105000000000, 0.0000278200000000, -0.0004441300000000 ] - [ 0.0000403800000000, -0.0011370900000000, -0.0003062200000000 ] - [ -0.0001824200000000, -0.0006492300000000, 0.0001855200000000 ] - [ 0.0006019500000000, 0.0004108800000000, -0.0008618900000000 ] - [ 0.0007594200000000, 0.0005409600000000, -0.0013042900000000 ] - [ -0.0000885200000000, 0.0005206600000000, 0.0003289500000000 ] - [ -0.0000788300000000, -0.0002761000000000, -0.0000005300000000 ] - [ 0.0000893200000000, -0.0002012700000000, -0.0002293600000000 ] - [ 0.0000547700000000, 0.0000298300000000, 0.0000621100000000 ] - [ 0.0001159500000000, 0.0001973400000000, 0.0003211200000000 ] - [ -0.0002448600000000, -0.0001514900000000, 0.0000118200000000 ] - [ -0.0001903100000000, -0.0001684100000000, -0.0002510200000000 ] - [ -0.0000560600000000, 0.0003494000000000, 0.0001259900000000 ] - [ 0.0000543200000000, -0.0001800400000000, 0.0001038900000000 ] - [ -0.0003226000000000, 0.0022559200000000, -0.0010583600000000 ] - [ 0.0002636400000000, 0.0009055700000000, -0.0011279600000000 ]- atom: 57 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ -0.0000992700000000, -0.0000079200000000, 0.0002842500000000 ] - [ 0.0000101600000000, 0.0000074200000000, -0.0000709900000000 ] - [ 0.0001984200000000, -0.0000847900000000, -0.0000465400000000 ] - [ -0.0001808300000000, 0.0000045700000000, 0.0001114700000000 ] - [ 0.0000164400000000, 0.0000626400000000, 0.0001692000000000 ] - [ -0.0000355400000000, 0.0004309400000000, -0.0000429000000000 ] - [ -0.0011848000000000, 0.0003708800000000, 0.0001101500000000 ] - [ -0.0001486200000000, 0.0001155100000000, -0.0003492900000000 ] - [ -0.0003009500000000, 0.0002365600000000, 0.0001455000000000 ] - [ 0.0012812100000000, -0.0003266600000000, 0.0030053400000000 ] - [ -0.0002513300000000, -0.0001572700000000, 0.0000275500000000 ] - [ 0.0008916700000000, -0.0005694600000000, 0.0018217100000000 ] - [ -0.0002797900000000, -0.0000591300000000, -0.0000391300000000 ] - [ 0.0000013100000000, -0.0000996600000000, -0.0000939500000000 ] - [ -0.0000322400000000, -0.0001261200000000, 0.0000762200000000 ] - [ 0.0000248000000000, -0.0002135600000000, -0.0002935700000000 ] - [ -0.0002257500000000, 0.0000981600000000, -0.0000293200000000 ] - [ -0.0000584700000000, 0.0002756200000000, -0.0000318000000000 ] - [ 0.0001790200000000, 0.0000056900000000, -0.0002294900000000 ] - [ 0.0003035600000000, 0.0001166300000000, 0.0000974800000000 ] - [ -0.0002309800000000, 0.0002137000000000, 0.0000458800000000 ] - [ 0.0000841000000000, 0.0002005900000000, -0.0003916300000000 ] - [ -0.0002500400000000, -0.0000944200000000, -0.0000220600000000 ] - [ -0.0001582900000000, 0.0000635200000000, 0.0001037200000000 ] - [ 0.0001545300000000, -0.0001868800000000, -0.0002113000000000 ] - [ -0.0001043200000000, -0.0002611800000000, 0.0002176200000000 ] - [ 0.0064858700000000, 0.0001203800000000, -0.0019567100000000 ] - [ -0.0001123500000000, -0.0002084200000000, 0.0001235500000000 ] - [ 0.0002532900000000, 0.0001698300000000, 0.0000248100000000 ] - [ -0.0000134900000000, -0.0001353200000000, 0.0000305800000000 ] - [ 0.0054184700000000, 0.0012445900000000, -0.0031554100000000 ] - [ 0.0003109700000000, 0.0000324400000000, 0.0001550700000000 ] - [ 0.0072513300000000, -0.0101258800000000, -0.0031623100000000 ] - [ -0.0000351700000000, 0.0003070400000000, -0.0005596400000000 ] - [ -0.0012856200000000, 0.0001194700000000, -0.0002495700000000 ] - [ -0.0003059900000000, -0.0000166000000000, -0.0002410500000000 ] - [ 0.0000684300000000, -0.0004167900000000, 0.0011379200000000 ] - [ -0.0002919000000000, 0.0002082700000000, -0.0002595300000000 ] - [ -0.0007960100000000, 0.0002240500000000, 0.0008086200000000 ] - [ 0.0001430000000000, -0.0000247300000000, 0.0000128600000000 ] - [ -0.0003006800000000, 0.0004110300000000, 0.0000100000000000 ] - [ -0.0001661700000000, -0.0003899600000000, 0.0011811500000000 ] - [ 0.0007643300000000, 0.0002254400000000, 0.0000770900000000 ] - [ -0.0002097800000000, 0.0002941800000000, -0.0002726000000000 ] - [ 0.0002545500000000, 0.0002840100000000, 0.0002449300000000 ] - [ 0.0007943200000000, -0.0001407600000000, 0.0002415700000000 ] - [ 0.0000758800000000, 0.0000654500000000, -0.0000002700000000 ] - [ 0.0002182700000000, -0.0000700100000000, 0.0000373900000000 ] - [ 0.0000789700000000, -0.0000328400000000, -0.0001949600000000 ] - [ 0.0001109000000000, -0.0001587200000000, -0.0000885500000000 ] - [ 0.0013030600000000, 0.0000703100000000, 0.0005326500000000 ] - [ 0.0008102300000000, -0.0003966600000000, -0.0003400900000000 ] - [ 0.0016220300000000, -0.0002300200000000, -0.0007911700000000 ] - [ -0.0005215300000000, -0.0001345200000000, 0.0001709600000000 ] - [ -0.0000304100000000, 0.0000278000000000, 0.0001266400000000 ] - [ -0.0006160300000000, 0.0016784400000000, -0.0002735600000000 ] - [ -0.0223117300000000, 0.0106679700000000, 0.0060110000000000 ] - [ -0.0002306100000000, -0.0001813200000000, -0.0003905900000000 ] - [ 0.0000772700000000, -0.0000653700000000, -0.0003246900000000 ] - [ -0.0000558100000000, 0.0001858300000000, 0.0000562900000000 ] - [ 0.0009014100000000, -0.0004074900000000, -0.0014494400000000 ] - [ 0.0014583000000000, -0.0040816500000000, -0.0014355900000000 ] - [ 0.0001828200000000, -0.0003641400000000, 0.0004248100000000 ] - [ 0.0000211100000000, -0.0000984000000000, -0.0000353400000000 ] - [ 0.0002346400000000, 0.0002509400000000, 0.0001689000000000 ] - [ 0.0000285300000000, -0.0001390000000000, 0.0001037100000000 ] - [ -0.0005260100000000, -0.0002331900000000, -0.0005958800000000 ] - [ -0.0003204000000000, -0.0000829400000000, -0.0003041000000000 ] - [ -0.0001461600000000, -0.0000667400000000, -0.0001438700000000 ] - [ 0.0003818500000000, 0.0001058800000000, 0.0000648500000000 ] - [ -0.0002675400000000, -0.0005981800000000, -0.0006779600000000 ] - [ -0.0005180400000000, 0.0001689100000000, -0.0000978300000000 ] - [ -0.0000277800000000, 0.0001454600000000, -0.0001862800000000 ] - [ -0.0001833300000000, 0.0000098700000000, -0.0001046200000000 ] - [ -0.0001322600000000, -0.0005110300000000, 0.0003354100000000 ] - [ 0.0003913100000000, 0.0001265200000000, 0.0001027100000000 ] - [ -0.0000619800000000, 0.0014223800000000, -0.0001891100000000 ] - [ -0.0003842800000000, 0.0008079800000000, 0.0007411500000000 ] - [ -0.0000520300000000, -0.0003697000000000, 0.0000532500000000 ] - [ 0.0000179900000000, -0.0002990300000000, 0.0001132000000000 ] - [ 0.0000935500000000, 0.0000047500000000, 0.0001972700000000 ] - [ 0.0000884900000000, 0.0002406700000000, 0.0003888600000000 ] - [ -0.0001717200000000, -0.0004268500000000, -0.0001407300000000 ] - [ 0.0004183600000000, -0.0000269100000000, -0.0002921700000000 ] - [ 0.0000145700000000, 0.0002289000000000, 0.0000552500000000 ] - [ 0.0002050800000000, -0.0001825100000000, 0.0003292600000000 ] - [ -0.0002458400000000, 0.0002608500000000, -0.0002800900000000 ] - [ 0.0002374500000000, 0.0004906600000000, -0.0002321200000000 ]- atom: 57 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0000666900000000, 0.0004994300000000, 0.0002777500000000 ] - [ 0.0001131400000000, 0.0001246400000000, 0.0000939700000000 ] - [ 0.0002559400000000, -0.0000794500000000, 0.0000297600000000 ] - [ -0.0002394300000000, -0.0000078000000000, 0.0001156400000000 ] - [ -0.0000698500000000, -0.0000126700000000, 0.0000766200000000 ] - [ -0.0004365000000000, -0.0007199400000000, 0.0000300800000000 ] - [ 0.0007712800000000, -0.0003221300000000, 0.0001149000000000 ] - [ 0.0002727100000000, -0.0002479300000000, 0.0003763700000000 ] - [ -0.0001173100000000, 0.0001995600000000, 0.0001295700000000 ] - [ -0.0008559400000000, 0.0001145800000000, -0.0029569000000000 ] - [ 0.0006720500000000, 0.0001618200000000, -0.0002558500000000 ] - [ -0.0008269100000000, 0.0006188300000000, -0.0020856700000000 ] - [ -0.0001552300000000, -0.0001518300000000, 0.0000203600000000 ] - [ 0.0004532600000000, 0.0002615000000000, 0.0000762900000000 ] - [ -0.0000213000000000, 0.0000743500000000, 0.0001687900000000 ] - [ 0.0001425900000000, -0.0002807500000000, -0.0002685000000000 ] - [ -0.0002108200000000, 0.0001099700000000, 0.0000108200000000 ] - [ -0.0000676400000000, -0.0001425900000000, 0.0000052200000000 ] - [ 0.0002403400000000, -0.0000085500000000, 0.0000029300000000 ] - [ 0.0001334200000000, 0.0000937700000000, -0.0000801200000000 ] - [ -0.0002218400000000, -0.0000487900000000, -0.0000268100000000 ] - [ 0.0000816600000000, 0.0002922300000000, -0.0001645200000000 ] - [ -0.0002035300000000, -0.0000685800000000, 0.0000389200000000 ] - [ -0.0003124500000000, 0.0002243500000000, -0.0001185500000000 ] - [ 0.0002638700000000, -0.0002487100000000, -0.0000626800000000 ] - [ -0.0000607400000000, -0.0002325400000000, 0.0003387100000000 ] - [ -0.0062931800000000, -0.0004384500000000, 0.0020850700000000 ] - [ -0.0003047500000000, -0.0002265700000000, 0.0001560000000000 ] - [ 0.0002167100000000, 0.0001180000000000, -0.0000093000000000 ] - [ -0.0001115000000000, 0.0000017300000000, -0.0000577300000000 ] - [ -0.0048216000000000, -0.0007934500000000, 0.0027429200000000 ] - [ -0.0002567700000000, -0.0000820800000000, -0.0004005000000000 ] - [ -0.0071349100000000, 0.0100500900000000, 0.0030554700000000 ] - [ -0.0007775500000000, -0.0003642100000000, 0.0004181100000000 ] - [ 0.0004658500000000, -0.0000543000000000, 0.0001024600000000 ] - [ -0.0001381200000000, -0.0000698800000000, -0.0002010000000000 ] - [ 0.0003916600000000, 0.0000541200000000, -0.0005833000000000 ] - [ -0.0001660700000000, 0.0001616000000000, -0.0002909400000000 ] - [ 0.0003480900000000, -0.0005937200000000, -0.0013538800000000 ] - [ -0.0001613800000000, 0.0000000700000000, 0.0000567300000000 ] - [ 0.0002709100000000, -0.0003797100000000, 0.0000630500000000 ] - [ 0.0009757200000000, 0.0003195000000000, -0.0010308300000000 ] - [ -0.0003148800000000, -0.0001415900000000, 0.0003533100000000 ] - [ -0.0002340600000000, -0.0002084000000000, -0.0001715100000000 ] - [ 0.0002048000000000, 0.0000901700000000, 0.0003042200000000 ] - [ -0.0003451400000000, 0.0000563100000000, 0.0001969400000000 ] - [ -0.0000612500000000, -0.0000905200000000, -0.0000688000000000 ] - [ 0.0005948900000000, 0.0001287800000000, 0.0001058100000000 ] - [ -0.0001248000000000, -0.0000306300000000, -0.0001707900000000 ] - [ -0.0000894600000000, -0.0001047200000000, -0.0000576600000000 ] - [ -0.0009453000000000, 0.0002688900000000, 0.0000947100000000 ] - [ -0.0005258700000000, -0.0004622500000000, -0.0000797500000000 ] - [ -0.0011354700000000, 0.0003596000000000, 0.0003949100000000 ] - [ 0.0000342900000000, 0.0002601200000000, 0.0002278200000000 ] - [ 0.0000832800000000, 0.0002313700000000, 0.0002207400000000 ] - [ 0.0008960700000000, -0.0015269200000000, 0.0005769200000000 ] - [ 0.0231875300000000, -0.0109195600000000, -0.0057977100000000 ] - [ -0.0001112200000000, -0.0001559100000000, -0.0002310600000000 ] - [ -0.0003551900000000, 0.0002219300000000, 0.0000210600000000 ] - [ 0.0000325600000000, 0.0000763000000000, 0.0000891300000000 ] - [ -0.0008815300000000, 0.0006680000000000, 0.0012939300000000 ] - [ -0.0015338000000000, 0.0038527200000000, 0.0011029000000000 ] - [ -0.0000341900000000, -0.0001687600000000, 0.0002627500000000 ] - [ 0.0002633000000000, -0.0000628800000000, 0.0003363100000000 ] - [ -0.0001882000000000, -0.0001832500000000, 0.0002000900000000 ] - [ -0.0000476900000000, -0.0001251900000000, 0.0000427100000000 ] - [ 0.0003788100000000, -0.0002999300000000, -0.0000918700000000 ] - [ 0.0001729200000000, 0.0006142900000000, -0.0003830900000000 ] - [ -0.0001347900000000, -0.0000943400000000, -0.0001579200000000 ] - [ -0.0003220700000000, -0.0003673100000000, 0.0002798700000000 ] - [ -0.0002333100000000, 0.0004669600000000, 0.0010674400000000 ] - [ -0.0003467400000000, 0.0001346400000000, -0.0000781100000000 ] - [ -0.0000259700000000, 0.0001147700000000, -0.0001595700000000 ] - [ 0.0001373900000000, 0.0000515100000000, -0.0002653200000000 ] - [ -0.0001577300000000, -0.0003512600000000, 0.0000815300000000 ] - [ 0.0004730800000000, 0.0001773700000000, 0.0000753500000000 ] - [ 0.0001723700000000, -0.0008327600000000, 0.0000536700000000 ] - [ 0.0000922000000000, 0.0000624800000000, -0.0003187400000000 ] - [ -0.0000590100000000, -0.0002145700000000, 0.0000816700000000 ] - [ 0.0000900100000000, -0.0002850700000000, -0.0002504200000000 ] - [ -0.0000484800000000, -0.0000704100000000, 0.0001723400000000 ] - [ 0.0000619800000000, 0.0002896800000000, 0.0003031200000000 ] - [ -0.0006907400000000, 0.0001238900000000, -0.0000383700000000 ] - [ 0.0000690300000000, -0.0000989200000000, -0.0001065200000000 ] - [ -0.0001267600000000, 0.0003538700000000, 0.0000823500000000 ] - [ 0.0001379600000000, -0.0001547200000000, 0.0002932000000000 ] - [ -0.0000977200000000, 0.0000708400000000, -0.0003413400000000 ] - [ 0.0000517100000000, 0.0003699400000000, -0.0001856500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003852600000000, -0.0002080800000000, 0.0004891600000000 ] - [ 0.0000194800000000, 0.0001038100000000, 0.0001035300000000 ] - [ 0.0002579000000000, -0.0000487300000000, -0.0000389000000000 ] - [ -0.0002125500000000, -0.0000104000000000, 0.0000897300000000 ] - [ 0.0000023900000000, -0.0000077700000000, 0.0001180800000000 ] - [ -0.0000534800000000, -0.0006506200000000, -0.0001156400000000 ] - [ -0.0000803400000000, 0.0029409000000000, -0.0001035200000000 ] - [ 0.0003700400000000, 0.0000243000000000, 0.0001602500000000 ] - [ -0.0002724200000000, 0.0001937400000000, 0.0000550600000000 ] - [ 0.0003758100000000, -0.0002376000000000, 0.0003633400000000 ] - [ 0.0004268600000000, 0.0000667600000000, -0.0001746300000000 ] - [ -0.0007340100000000, 0.0007135200000000, -0.0017199800000000 ] - [ -0.0002775200000000, -0.0001301000000000, -0.0000114800000000 ] - [ -0.0000372000000000, 0.0002444700000000, -0.0001553500000000 ] - [ -0.0001600600000000, -0.0001342300000000, 0.0000203800000000 ] - [ -0.0002188800000000, -0.0002085800000000, -0.0001265600000000 ] - [ -0.0002093200000000, 0.0001102800000000, -0.0000036500000000 ] - [ 0.0000295100000000, -0.0003796100000000, 0.0002073600000000 ] - [ 0.0002115900000000, 0.0000028800000000, -0.0001768100000000 ] - [ 0.0001328300000000, 0.0000777000000000, 0.0003350000000000 ] - [ -0.0001171200000000, -0.0002217900000000, 0.0001007000000000 ] - [ 0.0000760700000000, 0.0002890300000000, -0.0001803700000000 ] - [ -0.0002224000000000, -0.0000968800000000, -0.0000069300000000 ] - [ -0.0002766300000000, 0.0002009100000000, -0.0001041500000000 ] - [ 0.0001061500000000, -0.0001920200000000, -0.0003764800000000 ] - [ -0.0000990900000000, -0.0002380700000000, 0.0002829100000000 ] - [ -0.0000339900000000, 0.0003897100000000, 0.0001944700000000 ] - [ -0.0001112800000000, -0.0002119700000000, 0.0000819900000000 ] - [ 0.0003255700000000, 0.0001149700000000, 0.0001890500000000 ] - [ -0.0000904300000000, -0.0001883800000000, 0.0001858100000000 ] - [ 0.0016861900000000, 0.0009552400000000, -0.0008775200000000 ] - [ 0.0000695700000000, 0.0000443500000000, -0.0003365500000000 ] - [ -0.0100759700000000, 0.0630954100000000, 0.0139347100000000 ] - [ -0.0005109100000000, -0.0014548500000000, -0.0007670600000000 ] - [ -0.0000192000000000, -0.0004403100000000, -0.0006614200000000 ] - [ -0.0001830600000000, 0.0001106500000000, -0.0000913300000000 ] - [ -0.0008734900000000, -0.0008284100000000, -0.0001853600000000 ] - [ -0.0002451000000000, 0.0001127800000000, -0.0002602900000000 ] - [ 0.0001032900000000, -0.0007572100000000, -0.0004555700000000 ] - [ -0.0000030000000000, -0.0001334800000000, 0.0000286800000000 ] - [ -0.0008428500000000, 0.0001098600000000, 0.0002886400000000 ] - [ 0.0002461600000000, 0.0005488700000000, 0.0000546800000000 ] - [ -0.0013876800000000, 0.0019967400000000, 0.0046960500000000 ] - [ -0.0002812200000000, -0.0000200400000000, -0.0000661700000000 ] - [ 0.0002133200000000, 0.0003284300000000, 0.0001590100000000 ] - [ 0.0005517000000000, -0.0002062800000000, 0.0004642800000000 ] - [ -0.0002682000000000, 0.0002746600000000, -0.0000494700000000 ] - [ 0.0004852300000000, 0.0001538600000000, -0.0000279400000000 ] - [ -0.0001281500000000, 0.0004951700000000, -0.0000932100000000 ] - [ 0.0000166600000000, -0.0001162700000000, -0.0001423000000000 ] - [ -0.0001042200000000, 0.0001971100000000, 0.0000683000000000 ] - [ 0.0004162600000000, -0.0006438400000000, -0.0000637000000000 ] - [ 0.0000958700000000, -0.0001874800000000, -0.0003532200000000 ] - [ -0.0002384300000000, 0.0003857700000000, 0.0003654100000000 ] - [ 0.0000228200000000, 0.0002792200000000, 0.0001722000000000 ] - [ 0.0003742100000000, 0.0026159500000000, 0.0005009600000000 ] - [ 0.0114035700000000, -0.0805904200000000, -0.0156980500000000 ] - [ -0.0001871300000000, -0.0002572400000000, -0.0002327800000000 ] - [ -0.0000237700000000, 0.0000387200000000, -0.0001480900000000 ] - [ 0.0001820500000000, 0.0004167200000000, 0.0002742500000000 ] - [ -0.0000977100000000, 0.0007293000000000, 0.0003719000000000 ] - [ -0.0009976200000000, 0.0012567500000000, 0.0005129900000000 ] - [ -0.0000389400000000, -0.0002166400000000, 0.0001701900000000 ] - [ 0.0003047900000000, -0.0001629900000000, 0.0004271700000000 ] - [ 0.0000348500000000, -0.0003147100000000, 0.0001158200000000 ] - [ -0.0000499200000000, -0.0001515000000000, 0.0001927300000000 ] - [ -0.0001837000000000, -0.0002241700000000, -0.0009275800000000 ] - [ -0.0002902200000000, 0.0005872900000000, -0.0011927000000000 ] - [ -0.0001395400000000, -0.0000445000000000, -0.0001755500000000 ] - [ 0.0009393100000000, 0.0000310200000000, 0.0000500900000000 ] - [ -0.0004321600000000, 0.0013066900000000, 0.0011050400000000 ] - [ -0.0004166100000000, 0.0002444000000000, -0.0000711300000000 ] - [ -0.0000626100000000, -0.0001188000000000, -0.0004223900000000 ] - [ 0.0004805900000000, 0.0020379400000000, -0.0000262300000000 ] - [ -0.0002050800000000, 0.0001254400000000, 0.0002427900000000 ] - [ 0.0004574600000000, 0.0000308700000000, 0.0000081300000000 ] - [ 0.0011742100000000, 0.0008356100000000, -0.0009968000000000 ] - [ -0.0007481700000000, 0.0016815300000000, 0.0006800100000000 ] - [ -0.0000431300000000, -0.0002480600000000, 0.0000062700000000 ] - [ 0.0000220600000000, -0.0003507500000000, -0.0001074200000000 ] - [ 0.0000078100000000, -0.0001176700000000, 0.0002323900000000 ] - [ 0.0000850700000000, 0.0003009300000000, 0.0002498200000000 ] - [ -0.0001590100000000, 0.0003282600000000, -0.0002159200000000 ] - [ 0.0001837400000000, -0.0001129700000000, -0.0001368400000000 ] - [ 0.0000091700000000, 0.0003517200000000, 0.0000511300000000 ] - [ 0.0001513300000000, -0.0001157200000000, 0.0002966300000000 ] - [ 0.0005452900000000, 0.0031047200000000, -0.0004814400000000 ] - [ 0.0002320000000000, 0.0003941400000000, -0.0001386000000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002185400000000, 0.0007007500000000, 0.0000743500000000 ] - [ 0.0001039700000000, 0.0000287400000000, -0.0000777700000000 ] - [ 0.0001971500000000, -0.0001151900000000, 0.0000205900000000 ] - [ -0.0002072700000000, 0.0000063000000000, 0.0001371300000000 ] - [ -0.0000568600000000, 0.0000576400000000, 0.0001257500000000 ] - [ -0.0004158300000000, 0.0003632200000000, 0.0000988900000000 ] - [ -0.0003336800000000, -0.0031287300000000, 0.0003248200000000 ] - [ -0.0002462500000000, -0.0001533400000000, -0.0001363100000000 ] - [ -0.0001462300000000, 0.0002414900000000, 0.0002195500000000 ] - [ 0.0000545300000000, 0.0000335500000000, -0.0003651300000000 ] - [ -0.0000036600000000, -0.0000604700000000, -0.0000542700000000 ] - [ 0.0007881800000000, -0.0006691900000000, 0.0014794000000000 ] - [ -0.0001620500000000, -0.0000784200000000, -0.0000046100000000 ] - [ 0.0004907400000000, -0.0000790300000000, 0.0001389400000000 ] - [ 0.0001046400000000, 0.0000811400000000, 0.0002248600000000 ] - [ 0.0003826100000000, -0.0002839900000000, -0.0004350500000000 ] - [ -0.0002290400000000, 0.0000972000000000, -0.0000141100000000 ] - [ -0.0001533000000000, 0.0005087300000000, -0.0002303500000000 ] - [ 0.0002083500000000, -0.0000062500000000, -0.0000522500000000 ] - [ 0.0003058300000000, 0.0001319300000000, -0.0003170500000000 ] - [ -0.0003392200000000, 0.0003848200000000, -0.0000828500000000 ] - [ 0.0000858700000000, 0.0002042600000000, -0.0003750800000000 ] - [ -0.0002323700000000, -0.0000662200000000, 0.0000232000000000 ] - [ -0.0001942900000000, 0.0000877700000000, 0.0000857900000000 ] - [ 0.0003108100000000, -0.0002414300000000, 0.0000971900000000 ] - [ -0.0000633200000000, -0.0002564800000000, 0.0002728700000000 ] - [ 0.0005170200000000, -0.0006763200000000, -0.0001791400000000 ] - [ -0.0003075800000000, -0.0002248900000000, 0.0001986300000000 ] - [ 0.0001453900000000, 0.0001730700000000, -0.0001721700000000 ] - [ -0.0000328600000000, 0.0000544000000000, -0.0002123500000000 ] - [ -0.0012729900000000, -0.0005275000000000, 0.0006026300000000 ] - [ -0.0000123300000000, -0.0000928400000000, 0.0000901900000000 ] - [ 0.0095264300000000, -0.0606458300000000, -0.0131213800000000 ] - [ -0.0002942700000000, 0.0013955400000000, 0.0006234200000000 ] - [ -0.0007871600000000, 0.0005023600000000, 0.0005142900000000 ] - [ -0.0002680500000000, -0.0001943200000000, -0.0003451300000000 ] - [ 0.0013378400000000, 0.0004617700000000, 0.0007476600000000 ] - [ -0.0002211400000000, 0.0002509100000000, -0.0002950500000000 ] - [ -0.0005629000000000, 0.0003890800000000, -0.0001062200000000 ] - [ -0.0000141500000000, 0.0001092400000000, 0.0000409800000000 ] - [ 0.0008271600000000, -0.0000811600000000, -0.0002093600000000 ] - [ 0.0005603100000000, -0.0006061500000000, 0.0000959900000000 ] - [ 0.0018326300000000, -0.0018272800000000, -0.0042515700000000 ] - [ -0.0001728400000000, 0.0000944000000000, -0.0003737900000000 ] - [ 0.0002502700000000, 0.0000329500000000, 0.0003968700000000 ] - [ -0.0000935400000000, 0.0001282000000000, -0.0000182700000000 ] - [ 0.0002827000000000, -0.0003030900000000, -0.0000325800000000 ] - [ 0.0003270100000000, -0.0000916400000000, 0.0001705400000000 ] - [ 0.0000802300000000, -0.0005542900000000, -0.0002757400000000 ] - [ 0.0000074400000000, -0.0001487900000000, -0.0000032000000000 ] - [ 0.0004460000000000, 0.0001476100000000, 0.0005532100000000 ] - [ -0.0001214200000000, -0.0002201300000000, -0.0003490000000000 ] - [ 0.0003974400000000, 0.0003099600000000, -0.0000464200000000 ] - [ -0.0002506300000000, -0.0002629900000000, 0.0000335200000000 ] - [ 0.0000291900000000, -0.0000181000000000, 0.0001764800000000 ] - [ -0.0000829100000000, -0.0024015500000000, -0.0001710400000000 ] - [ -0.0099748600000000, 0.0778605000000000, 0.0149937200000000 ] - [ -0.0001592700000000, -0.0000855800000000, -0.0003882200000000 ] - [ -0.0002624000000000, 0.0001214100000000, -0.0001557700000000 ] - [ -0.0002024800000000, -0.0001507700000000, -0.0001286900000000 ] - [ 0.0001116900000000, -0.0004658600000000, -0.0005100000000000 ] - [ 0.0009262100000000, -0.0014862100000000, -0.0008486700000000 ] - [ 0.0001893300000000, -0.0003143700000000, 0.0005192700000000 ] - [ -0.0000186200000000, 0.0000064600000000, -0.0001181000000000 ] - [ 0.0000118400000000, 0.0003766000000000, 0.0002537400000000 ] - [ 0.0000291600000000, -0.0001105500000000, -0.0000458200000000 ] - [ 0.0000300900000000, -0.0003049100000000, 0.0002306200000000 ] - [ 0.0001363800000000, -0.0000609800000000, 0.0004941400000000 ] - [ -0.0001416400000000, -0.0001123800000000, -0.0001288500000000 ] - [ -0.0008941200000000, -0.0002844300000000, 0.0002975500000000 ] - [ -0.0000592100000000, -0.0014370200000000, -0.0007209300000000 ] - [ -0.0004476400000000, 0.0000577300000000, -0.0001048000000000 ] - [ 0.0000113100000000, 0.0003769700000000, 0.0000744100000000 ] - [ -0.0005316900000000, -0.0019767000000000, -0.0003477700000000 ] - [ -0.0000836600000000, -0.0009887700000000, 0.0001780900000000 ] - [ 0.0004052100000000, 0.0002683100000000, 0.0001709800000000 ] - [ -0.0010547700000000, -0.0002503900000000, 0.0008523300000000 ] - [ 0.0004650000000000, -0.0008300400000000, -0.0002782900000000 ] - [ -0.0000638200000000, -0.0003358500000000, 0.0001284500000000 ] - [ 0.0000828400000000, -0.0002340000000000, -0.0000280000000000 ] - [ 0.0000381700000000, 0.0000540900000000, 0.0001383600000000 ] - [ 0.0000646300000000, 0.0002311400000000, 0.0004388900000000 ] - [ -0.0007048200000000, -0.0006302800000000, 0.0000396900000000 ] - [ 0.0003008500000000, -0.0000133000000000, -0.0002603100000000 ] - [ -0.0001134500000000, 0.0002343400000000, 0.0000855200000000 ] - [ 0.0001972300000000, -0.0002282400000000, 0.0003231100000000 ] - [ -0.0008884500000000, -0.0027131700000000, -0.0001419200000000 ] - [ 0.0000608100000000, 0.0004647900000000, -0.0002733000000000 ]- atom: 57 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ 0.0000171200000000, 0.0004200500000000, 0.0003276400000000 ] - [ 0.0002727200000000, 0.0000726300000000, -0.0001198700000000 ] - [ 0.0002975200000000, -0.0000724100000000, -0.0001223600000000 ] - [ -0.0002196200000000, -0.0000051900000000, 0.0000323200000000 ] - [ -0.0000073500000000, 0.0000158000000000, 0.0000842000000000 ] - [ -0.0004024800000000, -0.0004492800000000, 0.0000645500000000 ] - [ -0.0002296200000000, -0.0005770500000000, -0.0006881400000000 ] - [ -0.0001192600000000, 0.0000525800000000, 0.0003050300000000 ] - [ -0.0002060100000000, 0.0002157100000000, 0.0001140700000000 ] - [ 0.0032186400000000, -0.0005429700000000, 0.0083716500000000 ] - [ 0.0004054900000000, 0.0000498400000000, -0.0001737300000000 ] - [ 0.0015269000000000, -0.0010542500000000, 0.0043631600000000 ] - [ -0.0002323700000000, -0.0001030700000000, 0.0000566800000000 ] - [ 0.0001823600000000, 0.0001050400000000, 0.0001803800000000 ] - [ -0.0000695200000000, -0.0000624300000000, 0.0001369200000000 ] - [ 0.0002213700000000, -0.0002345300000000, -0.0003080200000000 ] - [ -0.0001821800000000, 0.0001124900000000, -0.0000554100000000 ] - [ -0.0001579000000000, 0.0003372800000000, -0.0000615500000000 ] - [ 0.0002372700000000, 0.0000033800000000, -0.0001784800000000 ] - [ 0.0003178300000000, 0.0001393300000000, -0.0002241800000000 ] - [ -0.0001789400000000, 0.0000472100000000, 0.0000617200000000 ] - [ 0.0000691700000000, 0.0002530900000000, -0.0002694400000000 ] - [ -0.0001930900000000, -0.0001025700000000, -0.0000440100000000 ] - [ -0.0002372000000000, 0.0001119500000000, -0.0000377900000000 ] - [ 0.0001666600000000, -0.0002248700000000, -0.0003144300000000 ] - [ -0.0000809500000000, -0.0002132400000000, 0.0002572400000000 ] - [ -0.0025944800000000, -0.0003097100000000, 0.0013554200000000 ] - [ -0.0001595400000000, -0.0002351800000000, 0.0001513800000000 ] - [ 0.0001767600000000, 0.0001373800000000, -0.0001678900000000 ] - [ -0.0000162000000000, 0.0001024400000000, -0.0000545200000000 ] - [ -0.0024451300000000, -0.0003280700000000, 0.0016450100000000 ] - [ 0.0000514100000000, -0.0001717900000000, -0.0002920700000000 ] - [ -0.0041934600000000, 0.0166479300000000, 0.0099722000000000 ] - [ -0.0002968500000000, -0.0001468700000000, -0.0007226300000000 ] - [ -0.0003684700000000, 0.0001658700000000, -0.0001086100000000 ] - [ -0.0001489000000000, -0.0000602000000000, -0.0002511500000000 ] - [ 0.0005506000000000, -0.0013041400000000, 0.0021609800000000 ] - [ -0.0002202300000000, 0.0001628100000000, -0.0003575400000000 ] - [ -0.0002907800000000, -0.0000470900000000, -0.0001617000000000 ] - [ -0.0000224000000000, -0.0000574200000000, 0.0000035500000000 ] - [ -0.0001420300000000, -0.0000973900000000, 0.0000820700000000 ] - [ 0.0001413300000000, 0.0001311900000000, 0.0007928100000000 ] - [ 0.0006504200000000, -0.0000981300000000, -0.0002657100000000 ] - [ -0.0001747900000000, 0.0001215300000000, -0.0002094700000000 ] - [ 0.0001641400000000, -0.0002000800000000, 0.0001089700000000 ] - [ -0.0006414900000000, 0.0002117600000000, -0.0005910700000000 ] - [ -0.0001984800000000, -0.0000302000000000, -0.0004931600000000 ] - [ 0.0004797300000000, 0.0000669300000000, -0.0000696900000000 ] - [ -0.0001150800000000, -0.0000825000000000, -0.0000289800000000 ] - [ -0.0000712000000000, -0.0001308600000000, 0.0000412900000000 ] - [ 0.0002139400000000, 0.0001493100000000, 0.0001355300000000 ] - [ 0.0002182500000000, -0.0004505300000000, -0.0003215800000000 ] - [ 0.0006785200000000, -0.0002182900000000, -0.0009093300000000 ] - [ -0.0002689300000000, 0.0000973600000000, 0.0002716600000000 ] - [ -0.0000012700000000, 0.0000474300000000, 0.0002401100000000 ] - [ 0.0003292600000000, 0.0030741500000000, -0.0003026400000000 ] - [ 0.0073128200000000, -0.0161306100000000, -0.0276114400000000 ] - [ -0.0000571000000000, -0.0001131300000000, -0.0000170200000000 ] - [ -0.0000917900000000, 0.0001024500000000, -0.0002388500000000 ] - [ 0.0000440100000000, 0.0002832500000000, -0.0002122700000000 ] - [ 0.0002623300000000, -0.0000778300000000, -0.0000041500000000 ] - [ -0.0011505000000000, 0.0019173600000000, -0.0002420700000000 ] - [ 0.0001619900000000, -0.0002696100000000, 0.0002690100000000 ] - [ 0.0003392900000000, -0.0000330300000000, 0.0011251300000000 ] - [ -0.0001545400000000, 0.0000025400000000, -0.0000050600000000 ] - [ -0.0000892100000000, -0.0000883100000000, 0.0002078700000000 ] - [ -0.0002128100000000, -0.0002090400000000, 0.0017103300000000 ] - [ 0.0000465100000000, -0.0010492500000000, -0.0000620000000000 ] - [ -0.0001266000000000, -0.0000367300000000, -0.0001159300000000 ] - [ 0.0001666300000000, -0.0002228400000000, 0.0000997700000000 ] - [ -0.0005818900000000, 0.0003635700000000, 0.0003003800000000 ] - [ -0.0004365200000000, 0.0001670300000000, -0.0000796700000000 ] - [ -0.0000888600000000, 0.0002255600000000, 0.0001876400000000 ] - [ -0.0001799200000000, 0.0004564600000000, -0.0003780600000000 ] - [ -0.0001413500000000, -0.0003699100000000, 0.0002402200000000 ] - [ 0.0004483600000000, 0.0002348200000000, 0.0003021800000000 ] - [ -0.0003354200000000, -0.0005984200000000, 0.0000166700000000 ] - [ -0.0003333000000000, 0.0006708500000000, 0.0004551000000000 ] - [ -0.0001316500000000, -0.0002560500000000, 0.0000869500000000 ] - [ 0.0002021600000000, -0.0002507100000000, 0.0003319500000000 ] - [ 0.0000353900000000, -0.0000400800000000, 0.0002663500000000 ] - [ -0.0000142000000000, 0.0002033600000000, 0.0003743500000000 ] - [ -0.0004956300000000, -0.0000083500000000, -0.0001164800000000 ] - [ 0.0001564200000000, -0.0000586900000000, -0.0001081900000000 ] - [ -0.0000884500000000, 0.0002909700000000, 0.0000658400000000 ] - [ 0.0001593900000000, -0.0001648800000000, 0.0003874800000000 ] - [ -0.0004910700000000, -0.0008028600000000, -0.0005333900000000 ] - [ 0.0001642800000000, 0.0004199800000000, -0.0001140000000000 ]- atom: 57 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0001832600000000, 0.0000745300000000, 0.0002336300000000 ] - [ -0.0001475900000000, 0.0000599500000000, 0.0001439600000000 ] - [ 0.0001554800000000, -0.0000920800000000, 0.0001049300000000 ] - [ -0.0002020500000000, 0.0000019700000000, 0.0001968500000000 ] - [ -0.0000480500000000, 0.0000345100000000, 0.0001603000000000 ] - [ -0.0000680000000000, 0.0001616600000000, -0.0000819000000000 ] - [ -0.0001877300000000, 0.0006177700000000, 0.0009045600000000 ] - [ 0.0002435300000000, -0.0001831000000000, -0.0002814900000000 ] - [ -0.0002123600000000, 0.0002203900000000, 0.0001600500000000 ] - [ -0.0026412500000000, 0.0003160700000000, -0.0080595000000000 ] - [ 0.0000158500000000, -0.0000463500000000, -0.0000549800000000 ] - [ -0.0015666800000000, 0.0011337200000000, -0.0048226700000000 ] - [ -0.0002056500000000, -0.0001067600000000, -0.0000747100000000 ] - [ 0.0002716100000000, 0.0000585400000000, -0.0001974300000000 ] - [ 0.0000128900000000, 0.0000101900000000, 0.0001070600000000 ] - [ -0.0000556000000000, -0.0002587800000000, -0.0002529000000000 ] - [ -0.0002551600000000, 0.0000967200000000, 0.0000378300000000 ] - [ 0.0000330600000000, -0.0002104000000000, 0.0000366900000000 ] - [ 0.0001837600000000, -0.0000056800000000, -0.0000493500000000 ] - [ 0.0001199500000000, 0.0000686800000000, 0.0002417100000000 ] - [ -0.0002745900000000, 0.0001163900000000, -0.0000452400000000 ] - [ 0.0000927900000000, 0.0002401300000000, -0.0002864500000000 ] - [ -0.0002610800000000, -0.0000594700000000, 0.0000623100000000 ] - [ -0.0002347100000000, 0.0001769300000000, 0.0000211700000000 ] - [ 0.0002521100000000, -0.0002125100000000, 0.0000414800000000 ] - [ -0.0000816400000000, -0.0002783900000000, 0.0003004700000000 ] - [ 0.0030348200000000, 0.0000186400000000, -0.0013477200000000 ] - [ -0.0002602800000000, -0.0002013400000000, 0.0001301300000000 ] - [ 0.0002946800000000, 0.0001497500000000, 0.0001847400000000 ] - [ -0.0001086800000000, -0.0002342200000000, 0.0000324700000000 ] - [ 0.0029387300000000, 0.0007640300000000, -0.0019462800000000 ] - [ 0.0000051500000000, 0.0001204600000000, 0.0000482600000000 ] - [ 0.0042223200000000, -0.0165516700000000, -0.0101535100000000 ] - [ -0.0005200200000000, 0.0000735200000000, 0.0005759700000000 ] - [ -0.0004320600000000, -0.0001048900000000, -0.0000337900000000 ] - [ -0.0003028800000000, -0.0000219200000000, -0.0001883600000000 ] - [ -0.0000830700000000, 0.0009344900000000, -0.0016079600000000 ] - [ -0.0002427400000000, 0.0002048200000000, -0.0001938600000000 ] - [ -0.0001720300000000, -0.0003231700000000, -0.0003948200000000 ] - [ 0.0000034900000000, 0.0000299000000000, 0.0000712800000000 ] - [ 0.0001211200000000, 0.0001247300000000, -0.0000111900000000 ] - [ 0.0006699900000000, -0.0001938800000000, -0.0006485300000000 ] - [ -0.0002003500000000, 0.0001717600000000, 0.0006999200000000 ] - [ -0.0002749400000000, -0.0000419600000000, -0.0002297800000000 ] - [ 0.0002989800000000, 0.0005738300000000, 0.0004431100000000 ] - [ 0.0010833300000000, -0.0002891900000000, 0.0010317400000000 ] - [ 0.0002219900000000, -0.0000015100000000, 0.0004204600000000 ] - [ 0.0003322100000000, -0.0000065000000000, 0.0002127600000000 ] - [ 0.0000653800000000, 0.0000203300000000, -0.0003397200000000 ] - [ 0.0000941900000000, -0.0001324700000000, -0.0001889300000000 ] - [ 0.0001306400000000, 0.0001940500000000, 0.0004864800000000 ] - [ 0.0000751600000000, -0.0004100500000000, -0.0000900100000000 ] - [ -0.0001927000000000, 0.0003453000000000, 0.0005142400000000 ] - [ -0.0002158600000000, 0.0000299000000000, 0.0001267400000000 ] - [ 0.0000528800000000, 0.0002143000000000, 0.0001097800000000 ] - [ -0.0000475500000000, -0.0028956900000000, 0.0006003300000000 ] - [ -0.0065566600000000, 0.0156692000000000, 0.0278575500000000 ] - [ -0.0002889300000000, -0.0002300300000000, -0.0006051000000000 ] - [ -0.0001921900000000, 0.0000544100000000, -0.0000650400000000 ] - [ -0.0000671000000000, -0.0000166900000000, 0.0003596100000000 ] - [ -0.0002430300000000, 0.0003426700000000, -0.0001346000000000 ] - [ 0.0010892900000000, -0.0021706300000000, -0.0001140000000000 ] - [ -0.0000126000000000, -0.0002607000000000, 0.0004189900000000 ] - [ -0.0000545900000000, -0.0001263800000000, -0.0008231500000000 ] - [ 0.0002014700000000, 0.0000605100000000, 0.0003743900000000 ] - [ 0.0000699700000000, -0.0001765200000000, -0.0000620400000000 ] - [ 0.0000608400000000, -0.0003232200000000, -0.0023745500000000 ] - [ -0.0001995600000000, 0.0015879300000000, -0.0006309400000000 ] - [ -0.0001556400000000, -0.0001210100000000, -0.0001892200000000 ] - [ -0.0001109100000000, -0.0000360600000000, 0.0002488200000000 ] - [ 0.0000997800000000, -0.0004835800000000, 0.0000908800000000 ] - [ -0.0004268700000000, 0.0001341300000000, -0.0000949900000000 ] - [ 0.0000354200000000, 0.0000344300000000, -0.0005366000000000 ] - [ 0.0001376700000000, -0.0003746300000000, 0.0000097100000000 ] - [ -0.0001522900000000, -0.0004860600000000, 0.0001716000000000 ] - [ 0.0004141000000000, 0.0000684900000000, -0.0001256100000000 ] - [ 0.0004443300000000, 0.0011855700000000, -0.0001490000000000 ] - [ 0.0000473000000000, 0.0001812800000000, -0.0000533000000000 ] - [ 0.0000288200000000, -0.0003287700000000, 0.0000475700000000 ] - [ -0.0000974700000000, -0.0003334200000000, -0.0004679100000000 ] - [ 0.0000103500000000, -0.0000224200000000, 0.0001030500000000 ] - [ 0.0001621500000000, 0.0003267700000000, 0.0003124700000000 ] - [ -0.0003655700000000, -0.0002927600000000, -0.0000608900000000 ] - [ 0.0003281300000000, -0.0000665500000000, -0.0002899100000000 ] - [ -0.0000146500000000, 0.0002935000000000, 0.0000709100000000 ] - [ 0.0001887500000000, -0.0001780700000000, 0.0002331700000000 ] - [ 0.0001439200000000, 0.0011517200000000, -0.0000827300000000 ] - [ 0.0001282800000000, 0.0004409200000000, -0.0002994600000000 ]- atom: 63 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ -0.0005877200000000, 0.0002308500000000, 0.0007269100000000 ] - [ 0.0001327500000000, 0.0000539300000000, 0.0000307200000000 ] - [ 0.0001586400000000, -0.0001266800000000, -0.0000078400000000 ] - [ -0.0001824300000000, -0.0000200600000000, 0.0000166000000000 ] - [ 0.0001199200000000, 0.0000684200000000, 0.0001416500000000 ] - [ -0.0008069400000000, -0.0004020100000000, -0.0002324400000000 ] - [ -0.0003510400000000, -0.0000389300000000, 0.0000413200000000 ] - [ 0.0004797600000000, 0.0004884000000000, 0.0000685100000000 ] - [ -0.0002120400000000, 0.0002345100000000, 0.0000064600000000 ] - [ 0.0001353600000000, -0.0000906400000000, -0.0000065400000000 ] - [ 0.0003159500000000, 0.0000614600000000, -0.0001174500000000 ] - [ 0.0001689200000000, 0.0001545100000000, -0.0001303100000000 ] - [ 0.0067981600000000, 0.0005567400000000, -0.0022516600000000 ] - [ 0.0001238600000000, 0.0001462800000000, -0.0000179000000000 ] - [ 0.0002429200000000, -0.0015230400000000, 0.0002693100000000 ] - [ -0.0000022300000000, -0.0007525700000000, -0.0002858100000000 ] - [ -0.0002517400000000, 0.0001410500000000, -0.0000391500000000 ] - [ 0.0047687900000000, 0.0003345200000000, -0.0037818700000000 ] - [ 0.0002458200000000, -0.0000024700000000, -0.0000879100000000 ] - [ -0.0000940100000000, -0.0000685600000000, 0.0001245700000000 ] - [ -0.0003076100000000, 0.0000305600000000, 0.0000333100000000 ] - [ 0.0000583600000000, 0.0002389600000000, -0.0002607500000000 ] - [ -0.0005457500000000, 0.0000637100000000, -0.0009111900000000 ] - [ -0.0000999900000000, 0.0001244400000000, 0.0000988300000000 ] - [ 0.0001147000000000, -0.0002150300000000, -0.0002231500000000 ] - [ -0.0001314200000000, -0.0002611300000000, 0.0002536600000000 ] - [ 0.0003267900000000, -0.0001202200000000, 0.0000631600000000 ] - [ -0.0003153500000000, 0.0003486900000000, 0.0001421900000000 ] - [ 0.0003812900000000, 0.0001882100000000, 0.0001446600000000 ] - [ -0.0000831100000000, -0.0000433400000000, -0.0000853200000000 ] - [ 0.0000980000000000, 0.0002479600000000, -0.0001880500000000 ] - [ 0.0000543800000000, -0.0000501600000000, -0.0001986900000000 ] - [ -0.0001765900000000, 0.0000729700000000, -0.0000799300000000 ] - [ -0.0003422300000000, -0.0001103300000000, -0.0002415400000000 ] - [ -0.0011909500000000, 0.0008323100000000, 0.0001029300000000 ] - [ 0.0294473100000000, 0.0043668800000000, 0.0302826700000000 ] - [ -0.0002661600000000, -0.0003860300000000, -0.0001196300000000 ] - [ -0.0003763400000000, 0.0000297600000000, -0.0003395200000000 ] - [ -0.0002281700000000, 0.0004402300000000, -0.0000997500000000 ] - [ 0.0011955900000000, 0.0007010300000000, -0.0000001900000000 ] - [ 0.0008550500000000, -0.0003763600000000, 0.0001030800000000 ] - [ 0.0007909000000000, -0.0003021800000000, -0.0004420400000000 ] - [ -0.0008323100000000, -0.0000844400000000, -0.0005325900000000 ] - [ -0.0001294300000000, 0.0000785400000000, -0.0001379600000000 ] - [ 0.0000717500000000, 0.0003313500000000, 0.0003967200000000 ] - [ 0.0000710000000000, -0.0000200800000000, 0.0001878400000000 ] - [ 0.0000645000000000, 0.0000003500000000, 0.0000708300000000 ] - [ 0.0005918300000000, -0.0000384900000000, -0.0001514900000000 ] - [ 0.0008874400000000, -0.0001700300000000, -0.0001433800000000 ] - [ -0.0000272000000000, 0.0001488000000000, 0.0001725500000000 ] - [ 0.0000752200000000, 0.0001294200000000, 0.0001837800000000 ] - [ 0.0001404300000000, -0.0004432200000000, -0.0001882500000000 ] - [ 0.0000560400000000, 0.0000572700000000, -0.0002038400000000 ] - [ -0.0002060300000000, 0.0000805000000000, 0.0003188900000000 ] - [ -0.0006760600000000, 0.0001274200000000, -0.0002613900000000 ] - [ 0.0002880900000000, 0.0001214000000000, 0.0003489500000000 ] - [ 0.0005414100000000, -0.0002628600000000, 0.0001816400000000 ] - [ -0.0000876500000000, -0.0002257700000000, -0.0002905600000000 ] - [ -0.0003049900000000, -0.0003176200000000, -0.0003488500000000 ] - [ 0.0004602000000000, 0.0002363100000000, 0.0000600200000000 ] - [ 0.0001582100000000, -0.0000204700000000, -0.0001330700000000 ] - [ 0.0003006600000000, -0.0006197900000000, 0.0001839000000000 ] - [ -0.0483762800000000, -0.0057097300000000, -0.0276673700000000 ] - [ 0.0001997700000000, -0.0002037600000000, 0.0001130600000000 ] - [ -0.0000680000000000, 0.0008564400000000, 0.0003192800000000 ] - [ 0.0003074800000000, -0.0004075500000000, 0.0000571300000000 ] - [ -0.0000356600000000, -0.0002113200000000, -0.0003407700000000 ] - [ 0.0014898200000000, -0.0014861900000000, -0.0006932200000000 ] - [ -0.0004706700000000, -0.0001265800000000, 0.0001309900000000 ] - [ 0.0004799800000000, 0.0007030100000000, 0.0012121100000000 ] - [ 0.0008605400000000, 0.0005373300000000, -0.0001962600000000 ] - [ -0.0006775200000000, -0.0000591300000000, 0.0000227000000000 ] - [ -0.0001725700000000, 0.0001541500000000, -0.0002481400000000 ] - [ 0.0000269800000000, 0.0000495000000000, -0.0001419700000000 ] - [ -0.0000429800000000, -0.0003782500000000, 0.0003951100000000 ] - [ 0.0004428100000000, 0.0001392000000000, 0.0000003500000000 ] - [ 0.0004738700000000, 0.0004077000000000, -0.0000475700000000 ] - [ 0.0001737700000000, 0.0002313500000000, 0.0001447800000000 ] - [ 0.0045810500000000, -0.0004570000000000, 0.0039220700000000 ] - [ 0.0001488700000000, -0.0003050800000000, -0.0000264400000000 ] - [ -0.0000020500000000, 0.0000197000000000, 0.0002779100000000 ] - [ -0.0000946100000000, 0.0002024200000000, 0.0003783900000000 ] - [ -0.0008833200000000, -0.0000505500000000, -0.0002725800000000 ] - [ 0.0001262500000000, -0.0000248000000000, -0.0002128200000000 ] - [ -0.0000764300000000, 0.0002388800000000, 0.0000699100000000 ] - [ -0.0001887700000000, 0.0006454300000000, 0.0008425300000000 ] - [ -0.0002121400000000, 0.0003802800000000, -0.0000712600000000 ] - [ 0.0000853200000000, 0.0004793000000000, -0.0001835700000000 ]- atom: 63 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ 0.0004238500000000, 0.0002629300000000, -0.0001701500000000 ] - [ -0.0000085100000000, 0.0000786300000000, -0.0000079900000000 ] - [ 0.0002944000000000, -0.0000379000000000, -0.0000095000000000 ] - [ -0.0002390100000000, 0.0000173400000000, 0.0002120200000000 ] - [ -0.0001743300000000, -0.0000181700000000, 0.0001042900000000 ] - [ 0.0003321000000000, 0.0001170500000000, 0.0001997000000000 ] - [ -0.0000714000000000, 0.0000410600000000, 0.0001865000000000 ] - [ -0.0003517300000000, -0.0006078200000000, -0.0000454400000000 ] - [ -0.0002080000000000, 0.0002011000000000, 0.0002689300000000 ] - [ 0.0003025700000000, -0.0001163500000000, 0.0000241800000000 ] - [ 0.0001058600000000, -0.0000591900000000, -0.0001099200000000 ] - [ -0.0001121300000000, -0.0001013900000000, -0.0001141000000000 ] - [ -0.0074944500000000, -0.0008042000000000, 0.0023632200000000 ] - [ 0.0003287500000000, 0.0000167100000000, 0.0000010700000000 ] - [ -0.0002832600000000, 0.0014486300000000, -0.0000216600000000 ] - [ 0.0001684800000000, 0.0002614600000000, -0.0002760700000000 ] - [ -0.0001875500000000, 0.0000660800000000, 0.0000213000000000 ] - [ -0.0047054500000000, -0.0001911100000000, 0.0036016300000000 ] - [ 0.0001760000000000, 0.0000011100000000, -0.0001400600000000 ] - [ 0.0005322400000000, 0.0002764400000000, -0.0001069500000000 ] - [ -0.0001475200000000, 0.0001334800000000, -0.0000163100000000 ] - [ 0.0001067300000000, 0.0002547800000000, -0.0002952100000000 ] - [ 0.0000901500000000, -0.0002260100000000, 0.0009319100000000 ] - [ -0.0003699000000000, 0.0001641900000000, -0.0001152100000000 ] - [ 0.0003024900000000, -0.0002212400000000, -0.0000522200000000 ] - [ -0.0000339900000000, -0.0002328200000000, 0.0003028900000000 ] - [ 0.0001439200000000, -0.0001705200000000, -0.0000435900000000 ] - [ -0.0001042400000000, -0.0007872000000000, 0.0001391200000000 ] - [ 0.0000900100000000, 0.0000991500000000, -0.0001275800000000 ] - [ -0.0000415900000000, -0.0000879600000000, 0.0000603100000000 ] - [ 0.0003188500000000, 0.0001878400000000, -0.0000936900000000 ] - [ 0.0000023300000000, -0.0000006600000000, -0.0000457600000000 ] - [ 0.0001947500000000, -0.0000457600000000, 0.0000064300000000 ] - [ -0.0004698200000000, 0.0000508200000000, 0.0000992300000000 ] - [ 0.0003773300000000, -0.0007734100000000, -0.0002450800000000 ] - [ -0.0302788700000000, -0.0046165100000000, -0.0316059800000000 ] - [ 0.0007291400000000, 0.0000109200000000, 0.0006720400000000 ] - [ -0.0000917200000000, 0.0003387900000000, -0.0002085300000000 ] - [ -0.0002359200000000, -0.0008103400000000, -0.0004450200000000 ] - [ -0.0012104300000000, -0.0007203000000000, 0.0000607400000000 ] - [ -0.0008571400000000, 0.0004151600000000, -0.0000313600000000 ] - [ 0.0000233200000000, 0.0002386000000000, 0.0005822700000000 ] - [ 0.0012778900000000, 0.0001595000000000, 0.0009697100000000 ] - [ -0.0003190600000000, 0.0000072500000000, -0.0003048200000000 ] - [ 0.0003902000000000, 0.0000440700000000, 0.0001512300000000 ] - [ 0.0003769400000000, -0.0000589700000000, 0.0002548700000000 ] - [ -0.0000428000000000, -0.0000303100000000, -0.0001439900000000 ] - [ 0.0002239700000000, 0.0000958800000000, 0.0002919000000000 ] - [ -0.0009376800000000, 0.0001101500000000, -0.0002250600000000 ] - [ 0.0000539400000000, -0.0004115600000000, -0.0003188500000000 ] - [ 0.0002701200000000, 0.0002125400000000, 0.0004384000000000 ] - [ 0.0001541400000000, -0.0004161800000000, -0.0002220200000000 ] - [ 0.0004273400000000, 0.0000693900000000, -0.0001908900000000 ] - [ -0.0002781500000000, 0.0000452100000000, 0.0000799600000000 ] - [ 0.0007253400000000, 0.0001325200000000, 0.0006113600000000 ] - [ -0.0000059900000000, 0.0000371500000000, -0.0000430900000000 ] - [ 0.0003236000000000, -0.0000365700000000, -0.0000066400000000 ] - [ -0.0002577900000000, -0.0001174700000000, -0.0003318600000000 ] - [ 0.0000183900000000, 0.0004752000000000, 0.0000431700000000 ] - [ -0.0004817200000000, 0.0000286600000000, 0.0000853700000000 ] - [ -0.0001371000000000, 0.0002841900000000, -0.0000130000000000 ] - [ -0.0003495900000000, 0.0003560400000000, -0.0005315500000000 ] - [ 0.0490341200000000, 0.0053645700000000, 0.0293455700000000 ] - [ 0.0000821400000000, 0.0000455500000000, 0.0001903900000000 ] - [ 0.0001173600000000, -0.0007940900000000, 0.0000492000000000 ] - [ -0.0003271900000000, 0.0001434100000000, 0.0000877900000000 ] - [ -0.0001126400000000, -0.0003187400000000, -0.0003449100000000 ] - [ -0.0016306000000000, 0.0020011100000000, 0.0000011600000000 ] - [ 0.0001893700000000, -0.0000308500000000, -0.0004370500000000 ] - [ -0.0004297700000000, -0.0009352800000000, -0.0008413800000000 ] - [ -0.0013420400000000, -0.0006593300000000, 0.0005888100000000 ] - [ -0.0001851000000000, 0.0003550800000000, -0.0001925900000000 ] - [ 0.0001211500000000, 0.0001053300000000, -0.0001008900000000 ] - [ -0.0000731800000000, 0.0000120700000000, -0.0002265500000000 ] - [ -0.0002505500000000, -0.0004813100000000, 0.0000192600000000 ] - [ 0.0004198600000000, 0.0001602600000000, 0.0001758100000000 ] - [ -0.0003721600000000, 0.0001783300000000, -0.0000856000000000 ] - [ -0.0004685600000000, 0.0006292700000000, 0.0002669900000000 ] - [ -0.0047723900000000, -0.0001258200000000, -0.0038402500000000 ] - [ -0.0000448900000000, -0.0002793800000000, -0.0001095600000000 ] - [ 0.0000481000000000, -0.0000828000000000, 0.0000904900000000 ] - [ 0.0002424800000000, 0.0003265900000000, 0.0003078000000000 ] - [ 0.0000208300000000, -0.0002552800000000, 0.0000807700000000 ] - [ 0.0003569000000000, -0.0001009600000000, -0.0001855600000000 ] - [ -0.0000260600000000, 0.0003433300000000, 0.0000655700000000 ] - [ 0.0005407200000000, -0.0009944900000000, -0.0002224400000000 ] - [ -0.0001443500000000, -0.0000289500000000, -0.0005573800000000 ] - [ 0.0002080900000000, 0.0003822700000000, -0.0002300500000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000463200000000, 0.0002980800000000, 0.0002307700000000 ] - [ 0.0000543400000000, 0.0000088700000000, 0.0000100200000000 ] - [ 0.0001917200000000, -0.0001211900000000, -0.0000176500000000 ] - [ -0.0002981200000000, 0.0000309900000000, 0.0001692000000000 ] - [ -0.0000750100000000, 0.0000703900000000, 0.0002454200000000 ] - [ -0.0005235600000000, -0.0003476800000000, -0.0011198000000000 ] - [ -0.0001275600000000, -0.0000131400000000, -0.0000455300000000 ] - [ -0.0000177800000000, 0.0038780100000000, 0.0000135900000000 ] - [ -0.0001598300000000, 0.0002720700000000, 0.0002724200000000 ] - [ 0.0002482700000000, -0.0000999400000000, 0.0000147600000000 ] - [ 0.0002718100000000, 0.0000240400000000, -0.0000228100000000 ] - [ 0.0000209000000000, -0.0002717000000000, -0.0001321800000000 ] - [ 0.0006632200000000, 0.0001165200000000, -0.0004168500000000 ] - [ 0.0000553200000000, 0.0001144400000000, 0.0000296700000000 ] - [ -0.0012357700000000, 0.0083882900000000, -0.0012519500000000 ] - [ -0.0001282900000000, -0.0001416200000000, -0.0003442800000000 ] - [ -0.0001301300000000, 0.0000026400000000, 0.0002353000000000 ] - [ 0.0000486900000000, 0.0002416700000000, -0.0001006400000000 ] - [ 0.0002390900000000, -0.0003537100000000, -0.0000931800000000 ] - [ 0.0004022400000000, 0.0002220400000000, -0.0000885100000000 ] - [ -0.0001475600000000, 0.0000783400000000, -0.0000371900000000 ] - [ 0.0000563500000000, 0.0001791700000000, -0.0002848400000000 ] - [ -0.0001606800000000, -0.0000933300000000, 0.0000337800000000 ] - [ -0.0003593200000000, 0.0000066500000000, 0.0001192600000000 ] - [ 0.0001859800000000, -0.0002156600000000, -0.0001188700000000 ] - [ -0.0000678500000000, -0.0002576100000000, 0.0003266500000000 ] - [ 0.0002309500000000, 0.0000420600000000, -0.0000810700000000 ] - [ 0.0000296800000000, -0.0003336000000000, 0.0001780700000000 ] - [ 0.0003337200000000, 0.0002616200000000, -0.0001248400000000 ] - [ 0.0000246200000000, -0.0001360300000000, 0.0002701800000000 ] - [ 0.0002013400000000, 0.0001407300000000, -0.0001394800000000 ] - [ 0.0000566500000000, 0.0000158200000000, -0.0001084400000000 ] - [ 0.0002155000000000, -0.0001097400000000, -0.0000181900000000 ] - [ -0.0003844600000000, -0.0001793300000000, 0.0000050300000000 ] - [ -0.0009808500000000, 0.0005254100000000, 0.0000812000000000 ] - [ 0.0060771500000000, 0.0066166400000000, 0.0071917900000000 ] - [ 0.0002320300000000, -0.0000258400000000, -0.0000704200000000 ] - [ -0.0013539200000000, 0.0021223300000000, -0.0007411100000000 ] - [ -0.0003978900000000, -0.0010369800000000, -0.0000231400000000 ] - [ -0.0011242700000000, -0.0005141000000000, 0.0004032900000000 ] - [ -0.0012813400000000, 0.0001527600000000, 0.0000343000000000 ] - [ 0.0007728900000000, -0.0008028900000000, -0.0003434100000000 ] - [ 0.0006837600000000, 0.0004767400000000, 0.0010792900000000 ] - [ -0.0000469900000000, -0.0001082900000000, -0.0001152900000000 ] - [ 0.0003799500000000, -0.0001242200000000, 0.0003797200000000 ] - [ 0.0002717100000000, -0.0002267600000000, 0.0003091100000000 ] - [ 0.0000521500000000, -0.0000194600000000, -0.0000405200000000 ] - [ 0.0008841100000000, -0.0004912400000000, -0.0000716900000000 ] - [ 0.0000168000000000, -0.0000495200000000, -0.0001517600000000 ] - [ 0.0000436800000000, -0.0003924100000000, -0.0001062300000000 ] - [ 0.0002486500000000, 0.0002722600000000, 0.0002662100000000 ] - [ 0.0001310700000000, -0.0001998600000000, -0.0001445900000000 ] - [ 0.0002231800000000, 0.0004233700000000, -0.0001330900000000 ] - [ -0.0002780400000000, 0.0000756200000000, 0.0001272900000000 ] - [ 0.0002382600000000, 0.0000344900000000, -0.0001966000000000 ] - [ 0.0000230300000000, 0.0000424700000000, 0.0000976600000000 ] - [ 0.0003334600000000, -0.0000999800000000, 0.0000779300000000 ] - [ -0.0002438900000000, -0.0000346400000000, -0.0004134200000000 ] - [ 0.0000344000000000, 0.0009840500000000, 0.0001231700000000 ] - [ 0.0001225400000000, 0.0000560800000000, 0.0002050000000000 ] - [ 0.0000107300000000, 0.0005345300000000, -0.0000896700000000 ] - [ -0.0002385700000000, -0.0000565500000000, -0.0004271600000000 ] - [ -0.0055221200000000, -0.0216998500000000, -0.0046083200000000 ] - [ 0.0001136200000000, 0.0000600200000000, 0.0000813300000000 ] - [ 0.0007220600000000, 0.0015181200000000, 0.0001101900000000 ] - [ 0.0000291200000000, 0.0000194100000000, -0.0000210800000000 ] - [ -0.0001292900000000, -0.0002803300000000, -0.0004043000000000 ] - [ -0.0018067200000000, 0.0012831800000000, 0.0000565100000000 ] - [ -0.0003983000000000, -0.0003144600000000, -0.0010370400000000 ] - [ 0.0005295100000000, -0.0008647900000000, -0.0003510100000000 ] - [ 0.0007338000000000, 0.0001447100000000, -0.0000951000000000 ] - [ -0.0007926800000000, 0.0004754500000000, -0.0014315500000000 ] - [ -0.0000505700000000, 0.0002179000000000, -0.0001877700000000 ] - [ -0.0000794500000000, 0.0000681200000000, -0.0002136700000000 ] - [ -0.0001982400000000, -0.0003757600000000, 0.0001130200000000 ] - [ 0.0004558600000000, 0.0001836400000000, 0.0001509700000000 ] - [ -0.0002795300000000, 0.0002338200000000, -0.0002717600000000 ] - [ 0.0000207800000000, 0.0004560500000000, 0.0003090600000000 ] - [ -0.0004191600000000, -0.0013127900000000, -0.0001300200000000 ] - [ 0.0000340100000000, -0.0002592100000000, -0.0000959800000000 ] - [ 0.0000666800000000, 0.0001083300000000, 0.0002283900000000 ] - [ 0.0001366400000000, 0.0004336300000000, 0.0002136800000000 ] - [ -0.0004647700000000, -0.0001094700000000, -0.0001468700000000 ] - [ 0.0001561500000000, -0.0000652800000000, -0.0001735800000000 ] - [ -0.0000213200000000, 0.0003453700000000, 0.0000350600000000 ] - [ 0.0023266700000000, -0.0004999200000000, 0.0029682900000000 ] - [ 0.0001110600000000, -0.0000736600000000, -0.0000437700000000 ] - [ 0.0002242700000000, 0.0004556500000000, 0.0000296500000000 ]- atom: 63 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001201400000000, 0.0001951800000000, 0.0003304200000000 ] - [ 0.0000685400000000, 0.0001238400000000, 0.0000127400000000 ] - [ 0.0002620700000000, -0.0000431200000000, 0.0000011600000000 ] - [ -0.0001232100000000, -0.0000338200000000, 0.0000596400000000 ] - [ 0.0000184200000000, -0.0000205100000000, -0.0000016400000000 ] - [ 0.0000482000000000, 0.0000770900000000, 0.0010839000000000 ] - [ -0.0002918100000000, 0.0000148000000000, 0.0002724900000000 ] - [ 0.0001555900000000, -0.0042338900000000, 0.0000156400000000 ] - [ -0.0002576100000000, 0.0001632300000000, 0.0000035200000000 ] - [ 0.0001907000000000, -0.0001077600000000, 0.0000029100000000 ] - [ 0.0001485800000000, -0.0000212400000000, -0.0002054300000000 ] - [ 0.0000361800000000, 0.0003242500000000, -0.0001118500000000 ] - [ -0.0010805600000000, -0.0003161200000000, 0.0003920400000000 ] - [ 0.0003994900000000, 0.0000478500000000, -0.0000463000000000 ] - [ 0.0011454300000000, -0.0080705200000000, 0.0014670600000000 ] - [ 0.0002956900000000, -0.0003523700000000, -0.0002167400000000 ] - [ -0.0003089200000000, 0.0002046500000000, -0.0002518000000000 ] - [ -0.0001944800000000, -0.0001115500000000, 0.0000974200000000 ] - [ 0.0001822600000000, 0.0003506800000000, -0.0001345100000000 ] - [ 0.0000364200000000, -0.0000146100000000, 0.0001063600000000 ] - [ -0.0003060800000000, 0.0000861700000000, 0.0000537600000000 ] - [ 0.0001077600000000, 0.0003147000000000, -0.0002714800000000 ] - [ -0.0002933500000000, -0.0000691500000000, -0.0000180500000000 ] - [ -0.0001110500000000, 0.0002819500000000, -0.0001366500000000 ] - [ 0.0002316400000000, -0.0002201000000000, -0.0001570200000000 ] - [ -0.0000962700000000, -0.0002361700000000, 0.0002304000000000 ] - [ 0.0002393500000000, -0.0003287500000000, 0.0000967400000000 ] - [ -0.0004470900000000, -0.0001021700000000, 0.0001031700000000 ] - [ 0.0001361200000000, 0.0000261400000000, 0.0001420300000000 ] - [ -0.0001447300000000, 0.0000029700000000, -0.0002872000000000 ] - [ 0.0002175900000000, 0.0002957400000000, -0.0001410800000000 ] - [ 0.0000005200000000, -0.0000658200000000, -0.0001343300000000 ] - [ -0.0001922600000000, 0.0001330100000000, -0.0000510500000000 ] - [ -0.0004294300000000, 0.0001221300000000, -0.0001427400000000 ] - [ 0.0001669500000000, -0.0004634800000000, -0.0002225700000000 ] - [ -0.0064401600000000, -0.0065925700000000, -0.0075028800000000 ] - [ 0.0002325000000000, -0.0003462200000000, 0.0006146500000000 ] - [ 0.0008926800000000, -0.0017556700000000, 0.0001906900000000 ] - [ -0.0000669700000000, 0.0006632400000000, -0.0005259400000000 ] - [ 0.0011080700000000, 0.0004916700000000, -0.0003339200000000 ] - [ 0.0012421000000000, -0.0001299400000000, 0.0000423700000000 ] - [ 0.0000366000000000, 0.0007458200000000, 0.0004897000000000 ] - [ -0.0002306000000000, -0.0003918600000000, -0.0006470800000000 ] - [ -0.0004040100000000, 0.0001910400000000, -0.0003235800000000 ] - [ 0.0000842500000000, 0.0004976000000000, 0.0001694300000000 ] - [ 0.0001816800000000, 0.0001429400000000, 0.0001283700000000 ] - [ -0.0000346100000000, -0.0000057600000000, -0.0000292900000000 ] - [ -0.0000728200000000, 0.0005509700000000, 0.0002103400000000 ] - [ -0.0000653700000000, -0.0000127400000000, -0.0002148600000000 ] - [ -0.0000194400000000, 0.0001292600000000, -0.0000398100000000 ] - [ 0.0000978600000000, 0.0000699800000000, 0.0003573100000000 ] - [ 0.0001634400000000, -0.0006603800000000, -0.0002671700000000 ] - [ 0.0002628500000000, -0.0002984000000000, -0.0002604900000000 ] - [ -0.0002064100000000, 0.0000522700000000, 0.0002696800000000 ] - [ -0.0001869100000000, 0.0002241400000000, 0.0005468900000000 ] - [ 0.0002572900000000, 0.0001155000000000, 0.0002060700000000 ] - [ 0.0005286500000000, -0.0001983900000000, 0.0000973700000000 ] - [ -0.0001021800000000, -0.0003077000000000, -0.0002095600000000 ] - [ -0.0003131900000000, -0.0008212700000000, -0.0004221400000000 ] - [ -0.0001473800000000, 0.0002083500000000, -0.0000564000000000 ] - [ 0.0000087100000000, -0.0002703800000000, -0.0000550200000000 ] - [ 0.0001852000000000, -0.0001950700000000, 0.0000749700000000 ] - [ 0.0056245100000000, 0.0208873000000000, 0.0052368100000000 ] - [ 0.0001678300000000, -0.0002186000000000, 0.0002207300000000 ] - [ -0.0006832000000000, -0.0014678000000000, 0.0002616900000000 ] - [ -0.0000501900000000, -0.0002836600000000, 0.0001658500000000 ] - [ -0.0000215500000000, -0.0002522400000000, -0.0002849600000000 ] - [ 0.0016744500000000, -0.0007595000000000, -0.0007470800000000 ] - [ 0.0001124100000000, 0.0001529000000000, 0.0007301900000000 ] - [ -0.0004782900000000, 0.0006051000000000, 0.0006719000000000 ] - [ -0.0012119900000000, -0.0002701400000000, 0.0004872300000000 ] - [ -0.0000756000000000, -0.0001716500000000, 0.0012487400000000 ] - [ 0.0000004000000000, 0.0000417900000000, -0.0001614000000000 ] - [ 0.0000305900000000, -0.0000047900000000, -0.0001551800000000 ] - [ -0.0000946600000000, -0.0004838900000000, 0.0003003400000000 ] - [ 0.0004061400000000, 0.0001150100000000, 0.0000250400000000 ] - [ 0.0003843700000000, 0.0003500100000000, 0.0001399000000000 ] - [ -0.0003146700000000, 0.0004039300000000, 0.0001026900000000 ] - [ 0.0003156900000000, 0.0007300900000000, 0.0002665500000000 ] - [ 0.0000686500000000, -0.0003254900000000, -0.0000403100000000 ] - [ -0.0000194900000000, -0.0001716600000000, 0.0001412500000000 ] - [ 0.0000143700000000, 0.0000984100000000, 0.0004713200000000 ] - [ -0.0003966000000000, -0.0001900400000000, -0.0000284600000000 ] - [ 0.0003292800000000, -0.0000613200000000, -0.0002249900000000 ] - [ -0.0000800200000000, 0.0002379000000000, 0.0001013300000000 ] - [ -0.0019908100000000, 0.0001703800000000, -0.0023586300000000 ] - [ -0.0004619600000000, 0.0004146200000000, -0.0005745000000000 ] - [ 0.0000679700000000, 0.0004036700000000, -0.0004466700000000 ]- atom: 63 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ -0.0001278300000000, 0.0002167900000000, 0.0005014100000000 ] - [ 0.0001071700000000, 0.0000402100000000, -0.0000528300000000 ] - [ 0.0001989900000000, -0.0001447400000000, 0.0000222300000000 ] - [ -0.0000152300000000, -0.0000094500000000, -0.0000335400000000 ] - [ -0.0000393300000000, 0.0000239500000000, -0.0004606000000000 ] - [ 0.0002446200000000, -0.0010273300000000, 0.0009660500000000 ] - [ -0.0002490500000000, -0.0000623200000000, 0.0001219400000000 ] - [ -0.0000090300000000, 0.0007931900000000, 0.0004815200000000 ] - [ -0.0001211100000000, 0.0002863100000000, -0.0004345800000000 ] - [ 0.0002520800000000, -0.0000748300000000, -0.0000606200000000 ] - [ 0.0003150200000000, 0.0001051600000000, -0.0003416900000000 ] - [ -0.0000021400000000, 0.0000064700000000, -0.0000573900000000 ] - [ -0.0025155100000000, -0.0004028300000000, 0.0010650200000000 ] - [ 0.0002669600000000, 0.0000502900000000, -0.0001255400000000 ] - [ 0.0001156100000000, -0.0014636700000000, 0.0003418700000000 ] - [ 0.0000964200000000, -0.0002886600000000, -0.0000265000000000 ] - [ -0.0003142500000000, 0.0002655400000000, -0.0002658500000000 ] - [ -0.0047207500000000, -0.0001082900000000, 0.0041019100000000 ] - [ 0.0002015700000000, 0.0000900600000000, 0.0000126300000000 ] - [ 0.0001718800000000, 0.0000775300000000, 0.0000937800000000 ] - [ -0.0001433700000000, 0.0000724500000000, 0.0000011300000000 ] - [ 0.0000604200000000, 0.0001521000000000, -0.0003857000000000 ] - [ -0.0003875800000000, -0.0000172300000000, -0.0000086000000000 ] - [ -0.0000758200000000, 0.0003408400000000, -0.0000586000000000 ] - [ 0.0001525800000000, -0.0002350100000000, -0.0002735100000000 ] - [ -0.0000666300000000, -0.0002287300000000, 0.0002098800000000 ] - [ 0.0002592900000000, 0.0000570600000000, 0.0000292000000000 ] - [ -0.0003126400000000, -0.0001755800000000, 0.0003368600000000 ] - [ 0.0003265100000000, -0.0000679700000000, -0.0000486200000000 ] - [ -0.0000394300000000, -0.0000831200000000, -0.0000116100000000 ] - [ 0.0002100700000000, 0.0002411100000000, -0.0000590500000000 ] - [ 0.0000461900000000, -0.0000548700000000, -0.0002969700000000 ] - [ -0.0004876500000000, 0.0000738000000000, 0.0001357700000000 ] - [ -0.0003793000000000, -0.0001015100000000, -0.0004993700000000 ] - [ -0.0003772200000000, 0.0002274900000000, 0.0001406600000000 ] - [ 0.0283532400000000, 0.0052619000000000, 0.0463477600000000 ] - [ 0.0001684900000000, -0.0001047900000000, -0.0006210600000000 ] - [ -0.0009005000000000, -0.0006018700000000, -0.0001996700000000 ] - [ -0.0003318400000000, -0.0009002000000000, -0.0005033200000000 ] - [ 0.0028349400000000, 0.0029933200000000, 0.0001768300000000 ] - [ -0.0007048800000000, -0.0006543600000000, 0.0000397200000000 ] - [ 0.0000513600000000, 0.0005592200000000, 0.0008542500000000 ] - [ 0.0001327200000000, 0.0004899900000000, 0.0007400200000000 ] - [ -0.0001573600000000, -0.0002162700000000, -0.0007914600000000 ] - [ 0.0001479200000000, 0.0002049900000000, 0.0002953700000000 ] - [ 0.0001356500000000, 0.0000316900000000, 0.0000558700000000 ] - [ 0.0000383800000000, -0.0001475000000000, -0.0000377300000000 ] - [ 0.0007862100000000, -0.0002055200000000, -0.0004781400000000 ] - [ -0.0000987100000000, -0.0001112100000000, -0.0002996700000000 ] - [ 0.0002246900000000, 0.0001259900000000, 0.0000081800000000 ] - [ 0.0002607400000000, 0.0003307800000000, 0.0005170500000000 ] - [ 0.0001786900000000, -0.0005264000000000, -0.0004769200000000 ] - [ 0.0003398000000000, -0.0000919500000000, -0.0004818800000000 ] - [ -0.0002470300000000, 0.0001373500000000, 0.0004631600000000 ] - [ -0.0004252400000000, -0.0002543800000000, 0.0009314300000000 ] - [ 0.0002349800000000, 0.0001005900000000, 0.0002707700000000 ] - [ 0.0005069100000000, -0.0003187600000000, 0.0000096900000000 ] - [ -0.0000826600000000, -0.0002495400000000, -0.0002133900000000 ] - [ 0.0002469700000000, 0.0004741600000000, 0.0000126500000000 ] - [ 0.0002575500000000, 0.0001070500000000, 0.0004382400000000 ] - [ -0.0001875400000000, 0.0003242200000000, 0.0000074700000000 ] - [ 0.0004566600000000, -0.0008142300000000, 0.0002082100000000 ] - [ -0.0255845100000000, -0.0046829100000000, -0.0594508000000000 ] - [ 0.0002083200000000, -0.0000896500000000, 0.0001800400000000 ] - [ -0.0002080000000000, -0.0009456400000000, -0.0001220400000000 ] - [ 0.0000291800000000, -0.0002287800000000, 0.0000075800000000 ] - [ -0.0000738100000000, -0.0002090400000000, -0.0002701400000000 ] - [ -0.0005137600000000, 0.0007682600000000, -0.0006031900000000 ] - [ 0.0005487800000000, 0.0001370500000000, 0.0016774800000000 ] - [ 0.0004404100000000, -0.0000620200000000, 0.0010767400000000 ] - [ -0.0002929300000000, -0.0001780100000000, 0.0000178300000000 ] - [ -0.0003763700000000, -0.0006760700000000, 0.0001945000000000 ] - [ -0.0001241100000000, 0.0001131500000000, -0.0001853500000000 ] - [ 0.0000005500000000, 0.0000702600000000, -0.0000737300000000 ] - [ 0.0000883600000000, -0.0004959200000000, 0.0005834400000000 ] - [ 0.0004723800000000, 0.0002444800000000, 0.0001260400000000 ] - [ 0.0001367500000000, 0.0003240200000000, -0.0003189500000000 ] - [ -0.0002666500000000, 0.0003838600000000, 0.0000006000000000 ] - [ 0.0001513500000000, -0.0000736800000000, -0.0008392200000000 ] - [ 0.0000456600000000, -0.0002982900000000, 0.0000298700000000 ] - [ -0.0000140900000000, 0.0001263100000000, 0.0003454900000000 ] - [ 0.0001223900000000, 0.0003980200000000, 0.0008127000000000 ] - [ -0.0006444400000000, 0.0004246000000000, 0.0019604900000000 ] - [ 0.0001438500000000, -0.0000444600000000, 0.0000471100000000 ] - [ -0.0002081500000000, 0.0003630900000000, 0.0004109200000000 ] - [ 0.0010880200000000, -0.0003344100000000, 0.0013651400000000 ] - [ -0.0001912600000000, -0.0000849800000000, 0.0004294400000000 ] - [ 0.0001604300000000, 0.0005322900000000, 0.0002638800000000 ]- atom: 63 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0000380200000000, 0.0002762600000000, 0.0000618900000000 ] - [ 0.0000167400000000, 0.0000924700000000, 0.0000784500000000 ] - [ 0.0002561300000000, -0.0000183900000000, -0.0000407200000000 ] - [ -0.0004047700000000, 0.0000036100000000, 0.0002602200000000 ] - [ -0.0000170200000000, 0.0000257000000000, 0.0007085000000000 ] - [ -0.0006803700000000, 0.0007205500000000, -0.0009322600000000 ] - [ -0.0001668500000000, 0.0000675900000000, 0.0001052600000000 ] - [ 0.0001320200000000, -0.0009190600000000, -0.0004510200000000 ] - [ -0.0002947200000000, 0.0001488200000000, 0.0007153600000000 ] - [ 0.0001856700000000, -0.0001332700000000, 0.0000789500000000 ] - [ 0.0001035900000000, -0.0000990900000000, 0.0001165400000000 ] - [ 0.0000556800000000, 0.0000451700000000, -0.0001876900000000 ] - [ 0.0020126000000000, 0.0001835100000000, -0.0010738700000000 ] - [ 0.0001872400000000, 0.0001130200000000, 0.0001091600000000 ] - [ -0.0001720700000000, 0.0013908600000000, -0.0000893400000000 ] - [ 0.0000705500000000, -0.0002049700000000, -0.0005375100000000 ] - [ -0.0001215900000000, -0.0000583500000000, 0.0002479800000000 ] - [ 0.0047166600000000, 0.0002439400000000, -0.0041850500000000 ] - [ 0.0002165300000000, -0.0000929200000000, -0.0002404200000000 ] - [ 0.0002681200000000, 0.0001328000000000, -0.0000776300000000 ] - [ -0.0003112400000000, 0.0000914600000000, 0.0000177900000000 ] - [ 0.0001026800000000, 0.0003414400000000, -0.0001702400000000 ] - [ -0.0000654200000000, -0.0001458400000000, 0.0000232600000000 ] - [ -0.0003977900000000, -0.0000537100000000, 0.0000432800000000 ] - [ 0.0002652300000000, -0.0002001600000000, -0.0000036400000000 ] - [ -0.0000977400000000, -0.0002652200000000, 0.0003466600000000 ] - [ 0.0002114000000000, -0.0003400500000000, -0.0000131400000000 ] - [ -0.0001069400000000, -0.0002597200000000, -0.0000581800000000 ] - [ 0.0001442300000000, 0.0003562300000000, 0.0000604700000000 ] - [ -0.0000844800000000, -0.0000496300000000, -0.0000103900000000 ] - [ 0.0002091800000000, 0.0001948400000000, -0.0002216300000000 ] - [ 0.0000068800000000, 0.0000051700000000, 0.0000514800000000 ] - [ 0.0005025600000000, -0.0000494800000000, -0.0001992800000000 ] - [ -0.0004355000000000, 0.0000448300000000, 0.0003631000000000 ] - [ -0.0004245800000000, -0.0001736200000000, -0.0002859400000000 ] - [ -0.0299901000000000, -0.0056869900000000, -0.0479596400000000 ] - [ 0.0002904800000000, -0.0002621700000000, 0.0011674100000000 ] - [ 0.0004602900000000, 0.0009694700000000, -0.0003557100000000 ] - [ -0.0001231600000000, 0.0005287400000000, -0.0000488000000000 ] - [ -0.0028965900000000, -0.0030331000000000, -0.0001544800000000 ] - [ 0.0006655500000000, 0.0006839300000000, 0.0000390500000000 ] - [ 0.0007592300000000, -0.0006206700000000, -0.0007126200000000 ] - [ 0.0003238000000000, -0.0003953900000000, -0.0003003300000000 ] - [ -0.0002900000000000, 0.0003038200000000, 0.0003609100000000 ] - [ 0.0003062000000000, 0.0001676500000000, 0.0002571100000000 ] - [ 0.0003144300000000, -0.0001178800000000, 0.0003810900000000 ] - [ -0.0000201200000000, 0.0001228900000000, -0.0000314100000000 ] - [ 0.0000233000000000, 0.0002664500000000, 0.0006201000000000 ] - [ 0.0000525400000000, 0.0000463000000000, -0.0000675900000000 ] - [ -0.0002062800000000, -0.0003882000000000, -0.0001525700000000 ] - [ 0.0000814300000000, 0.0000065500000000, 0.0001029900000000 ] - [ 0.0001114600000000, -0.0003345100000000, 0.0000631300000000 ] - [ 0.0001508500000000, 0.0002166500000000, 0.0000884900000000 ] - [ -0.0002395400000000, -0.0000104200000000, -0.0000655100000000 ] - [ 0.0004877400000000, 0.0005158300000000, -0.0005888400000000 ] - [ 0.0000448300000000, 0.0000601600000000, 0.0000296700000000 ] - [ 0.0003586500000000, 0.0000123400000000, 0.0001636800000000 ] - [ -0.0002582200000000, -0.0000866200000000, -0.0004064500000000 ] - [ -0.0005227700000000, -0.0003161400000000, -0.0003147000000000 ] - [ -0.0002749800000000, 0.0001567900000000, -0.0002898800000000 ] - [ 0.0002061500000000, -0.0000605200000000, -0.0001544700000000 ] - [ -0.0005054900000000, 0.0005468800000000, -0.0005547900000000 ] - [ 0.0269072500000000, 0.0045399600000000, 0.0613642000000000 ] - [ 0.0000737000000000, -0.0000728600000000, 0.0001207400000000 ] - [ 0.0002581900000000, 0.0010161300000000, 0.0004884900000000 ] - [ -0.0000505300000000, -0.0000351100000000, 0.0001412100000000 ] - [ -0.0000748600000000, -0.0003224800000000, -0.0004189500000000 ] - [ 0.0003540000000000, -0.0002246100000000, -0.0000797500000000 ] - [ -0.0008431100000000, -0.0002983900000000, -0.0020163500000000 ] - [ -0.0003847300000000, -0.0001980500000000, -0.0007192400000000 ] - [ -0.0002092800000000, 0.0000455400000000, 0.0003833500000000 ] - [ -0.0004877400000000, 0.0009890200000000, -0.0003682600000000 ] - [ 0.0000755400000000, 0.0001460900000000, -0.0001621200000000 ] - [ -0.0000469000000000, -0.0000051600000000, -0.0002965800000000 ] - [ -0.0003804600000000, -0.0003632000000000, -0.0001695300000000 ] - [ 0.0003905200000000, 0.0000556700000000, 0.0000528700000000 ] - [ -0.0000300500000000, 0.0002591700000000, 0.0001825600000000 ] - [ -0.0000262300000000, 0.0004779800000000, 0.0004147000000000 ] - [ -0.0002573400000000, -0.0005095900000000, 0.0009789700000000 ] - [ 0.0000617700000000, -0.0002857600000000, -0.0001661200000000 ] - [ 0.0000594900000000, -0.0001943200000000, 0.0000211800000000 ] - [ 0.0000263600000000, 0.0001345000000000, -0.0001251000000000 ] - [ -0.0002208800000000, -0.0007237600000000, -0.0021178100000000 ] - [ 0.0003442700000000, -0.0000830800000000, -0.0004468900000000 ] - [ 0.0000986800000000, 0.0002231800000000, -0.0002754300000000 ] - [ -0.0007735100000000, -0.0000175300000000, -0.0007835200000000 ] - [ -0.0001475900000000, 0.0004153600000000, -0.0010432500000000 ] - [ 0.0001291800000000, 0.0003246900000000, -0.0006856200000000 ]- atom: 77 displacement: [ 0.0099997345859943, 0.0000000000000000, -0.0000728574613127 ] forces: - [ 0.0003622400000000, -0.0007384200000000, 0.0000810300000000 ] - [ -0.0000545700000000, 0.0000427100000000, -0.0000208600000000 ] - [ 0.0002832600000000, 0.0000407300000000, 0.0001706300000000 ] - [ -0.0002417800000000, 0.0000148100000000, 0.0001769800000000 ] - [ -0.0000687600000000, 0.0000510100000000, 0.0001577200000000 ] - [ -0.0005566100000000, 0.0000341600000000, 0.0001207100000000 ] - [ -0.0001517500000000, -0.0000478500000000, 0.0000367200000000 ] - [ -0.0005608800000000, -0.0000602400000000, 0.0003337800000000 ] - [ -0.0002950500000000, 0.0002470600000000, 0.0000610100000000 ] - [ 0.0004588700000000, -0.0001606300000000, 0.0001137800000000 ] - [ -0.0002470100000000, 0.0000587700000000, -0.0000341400000000 ] - [ -0.0000568800000000, -0.0004334200000000, -0.0002568100000000 ] - [ -0.0005389600000000, -0.0002113600000000, -0.0001791500000000 ] - [ 0.0016081000000000, -0.0005250800000000, 0.0026730200000000 ] - [ -0.0001086400000000, -0.0000200700000000, 0.0000619200000000 ] - [ 0.0018978300000000, 0.0001329300000000, -0.0023685300000000 ] - [ -0.0002048200000000, 0.0000937700000000, 0.0000100100000000 ] - [ -0.0001074300000000, 0.0004833800000000, -0.0001189900000000 ] - [ -0.0000323700000000, -0.0000822700000000, -0.0000379600000000 ] - [ 0.0028483500000000, -0.0006509500000000, 0.0047606700000000 ] - [ -0.0001595800000000, 0.0000695900000000, 0.0000632100000000 ] - [ 0.0000782300000000, 0.0002181500000000, -0.0003871600000000 ] - [ -0.0001198300000000, -0.0002132700000000, 0.0001652900000000 ] - [ -0.0003054500000000, 0.0000684400000000, -0.0000069600000000 ] - [ 0.0003882900000000, -0.0001942700000000, 0.0000734600000000 ] - [ -0.0000422100000000, -0.0002426500000000, 0.0003067700000000 ] - [ 0.0000381900000000, -0.0003770800000000, -0.0000480300000000 ] - [ -0.0000694000000000, -0.0001942700000000, 0.0001285000000000 ] - [ 0.0001545200000000, 0.0002190700000000, -0.0003016900000000 ] - [ -0.0000838700000000, -0.0000822900000000, 0.0000336200000000 ] - [ 0.0007752800000000, 0.0017954200000000, -0.0002547800000000 ] - [ 0.0000624200000000, 0.0000421400000000, 0.0001675000000000 ] - [ 0.0033823300000000, -0.0026622400000000, 0.0015988800000000 ] - [ -0.0003851100000000, -0.0000011300000000, 0.0000962900000000 ] - [ -0.0003320800000000, -0.0000881500000000, -0.0000742400000000 ] - [ -0.0013291500000000, 0.0006362500000000, -0.0003997300000000 ] - [ 0.0018440800000000, 0.0001989600000000, 0.0006413500000000 ] - [ -0.0011111700000000, 0.0001454000000000, -0.0007957500000000 ] - [ -0.0007963800000000, -0.0000792300000000, -0.0002677800000000 ] - [ 0.0000577000000000, -0.0000224500000000, 0.0001391000000000 ] - [ -0.0003990300000000, -0.0000304300000000, -0.0000160800000000 ] - [ -0.0004502500000000, -0.0000782600000000, -0.0003921600000000 ] - [ 0.0631607600000000, -0.0091955900000000, -0.0124766700000000 ] - [ -0.0002494300000000, 0.0000622800000000, -0.0001384900000000 ] - [ 0.0002276400000000, 0.0002019900000000, 0.0002693100000000 ] - [ 0.0003897100000000, -0.0000645400000000, 0.0004115100000000 ] - [ 0.0003503900000000, -0.0001918500000000, -0.0000341800000000 ] - [ 0.0002274000000000, -0.0000120600000000, 0.0002235800000000 ] - [ -0.0001835200000000, -0.0000996500000000, -0.0002076600000000 ] - [ 0.0009798600000000, 0.0001278500000000, -0.0008275700000000 ] - [ 0.0002656300000000, 0.0002127800000000, 0.0004807900000000 ] - [ 0.0015921100000000, -0.0015481400000000, -0.0003604000000000 ] - [ 0.0008635700000000, 0.0002590000000000, -0.0000989800000000 ] - [ -0.0003533900000000, -0.0000721600000000, 0.0000631900000000 ] - [ 0.0003488800000000, 0.0000085500000000, 0.0000503100000000 ] - [ -0.0003992300000000, -0.0001737400000000, -0.0005852200000000 ] - [ 0.0003133400000000, 0.0009683100000000, -0.0003111700000000 ] - [ -0.0002897300000000, -0.0001791100000000, -0.0004434100000000 ] - [ 0.0000781900000000, -0.0000552800000000, -0.0001352500000000 ] - [ -0.0004628100000000, 0.0011524400000000, 0.0014347500000000 ] - [ 0.0006390900000000, -0.0006910700000000, 0.0004565200000000 ] - [ 0.0006306300000000, 0.0006448500000000, -0.0020127900000000 ] - [ 0.0004988400000000, -0.0005977700000000, 0.0004545700000000 ] - [ 0.0002483800000000, 0.0001978500000000, 0.0001194000000000 ] - [ 0.0010262600000000, -0.0001218800000000, 0.0005736100000000 ] - [ -0.0001740200000000, -0.0000281200000000, 0.0000503000000000 ] - [ -0.0001010300000000, -0.0002950000000000, -0.0005018700000000 ] - [ 0.0045258500000000, -0.0000939600000000, 0.0001126700000000 ] - [ -0.0000368600000000, -0.0000689500000000, -0.0001205600000000 ] - [ 0.0004000000000000, -0.0001582900000000, 0.0001087100000000 ] - [ -0.0003063200000000, 0.0000293100000000, 0.0002952200000000 ] - [ -0.0004281600000000, 0.0001603600000000, -0.0001666700000000 ] - [ -0.0001644800000000, 0.0002382900000000, -0.0000034600000000 ] - [ -0.0001161200000000, 0.0000466300000000, -0.0002978800000000 ] - [ -0.0003268600000000, -0.0005094300000000, 0.0000977400000000 ] - [ 0.0003943500000000, 0.0001783000000000, 0.0002342400000000 ] - [ -0.0818184500000000, 0.0126279100000000, 0.0086873300000000 ] - [ -0.0004036500000000, 0.0005035800000000, 0.0002612900000000 ] - [ 0.0013481000000000, 0.0000306900000000, -0.0002551400000000 ] - [ -0.0001028000000000, -0.0002626100000000, -0.0001217300000000 ] - [ 0.0000904000000000, -0.0000733100000000, 0.0001033700000000 ] - [ 0.0001703900000000, 0.0002827400000000, 0.0003408500000000 ] - [ -0.0003576700000000, -0.0002098700000000, -0.0001207400000000 ] - [ 0.0005201800000000, -0.0001076100000000, -0.0004614000000000 ] - [ 0.0001427800000000, 0.0002699500000000, 0.0001357900000000 ] - [ 0.0004747900000000, -0.0002648200000000, 0.0006576100000000 ] - [ 0.0007203000000000, -0.0010164700000000, -0.0018527100000000 ] - [ 0.0002160600000000, 0.0004908300000000, -0.0002998400000000 ]- atom: 77 displacement: [ -0.0099997345859943, 0.0000000000000000, 0.0000728574613127 ] forces: - [ -0.0005270400000000, 0.0012219500000000, 0.0004836500000000 ] - [ 0.0001794600000000, 0.0000900900000000, 0.0000469500000000 ] - [ 0.0001724500000000, -0.0002041200000000, -0.0001893500000000 ] - [ -0.0001789800000000, -0.0000191600000000, 0.0000494500000000 ] - [ 0.0000138300000000, -0.0000007500000000, 0.0000879100000000 ] - [ 0.0000861900000000, -0.0003214100000000, -0.0001348100000000 ] - [ -0.0002687000000000, 0.0000490400000000, 0.0001918600000000 ] - [ 0.0006926200000000, -0.0000705800000000, -0.0003090700000000 ] - [ -0.0001226100000000, 0.0001892700000000, 0.0002149300000000 ] - [ -0.0000246200000000, -0.0000485500000000, -0.0000937700000000 ] - [ 0.0006710200000000, -0.0000549900000000, -0.0001905100000000 ] - [ 0.0001082800000000, 0.0004877800000000, 0.0000115300000000 ] - [ 0.0001029900000000, 0.0000023500000000, 0.0001593700000000 ] - [ -0.0011431300000000, 0.0006784100000000, -0.0026228400000000 ] - [ 0.0000530700000000, -0.0000324500000000, 0.0001833500000000 ] - [ -0.0016135600000000, -0.0006217200000000, 0.0017170000000000 ] - [ -0.0002301800000000, 0.0001154200000000, -0.0000287600000000 ] - [ -0.0000196600000000, -0.0003562500000000, 0.0000933900000000 ] - [ 0.0004517200000000, 0.0000783900000000, -0.0001890100000000 ] - [ -0.0024045400000000, 0.0008710500000000, -0.0047856000000000 ] - [ -0.0002951700000000, 0.0000953000000000, -0.0000444000000000 ] - [ 0.0000859400000000, 0.0002754700000000, -0.0001684100000000 ] - [ -0.0003330000000000, 0.0000497100000000, -0.0001475600000000 ] - [ -0.0001673200000000, 0.0002192800000000, -0.0000071600000000 ] - [ 0.0000311500000000, -0.0002416100000000, -0.0003481500000000 ] - [ -0.0001214900000000, -0.0002504600000000, 0.0002484900000000 ] - [ 0.0004340700000000, 0.0000920200000000, 0.0000619200000000 ] - [ -0.0003483900000000, -0.0002425200000000, 0.0001512500000000 ] - [ 0.0003164100000000, 0.0000676300000000, 0.0003212700000000 ] - [ -0.0000415700000000, -0.0000506700000000, -0.0000613600000000 ] - [ -0.0003471400000000, -0.0013477400000000, -0.0000224100000000 ] - [ -0.0000088200000000, -0.0000926000000000, -0.0004145000000000 ] - [ -0.0034114100000000, 0.0027043800000000, -0.0016534500000000 ] - [ -0.0004257700000000, -0.0000575800000000, -0.0002411700000000 ] - [ -0.0004783100000000, 0.0001556900000000, -0.0000643600000000 ] - [ 0.0008844200000000, -0.0007172200000000, -0.0000558100000000 ] - [ -0.0013967200000000, -0.0005708100000000, -0.0000927800000000 ] - [ 0.0006552000000000, 0.0002244800000000, 0.0002469100000000 ] - [ 0.0003409900000000, -0.0002935900000000, -0.0002830000000000 ] - [ -0.0000848800000000, -0.0000150000000000, -0.0000609700000000 ] - [ 0.0003739400000000, 0.0000648300000000, 0.0000890700000000 ] - [ 0.0012611300000000, 0.0000056600000000, 0.0005292200000000 ] - [ -0.0654056500000000, 0.0099033100000000, 0.0135342300000000 ] - [ -0.0001939500000000, 0.0000162300000000, -0.0003145100000000 ] - [ 0.0002374800000000, 0.0001602500000000, 0.0002829200000000 ] - [ 0.0000581700000000, -0.0000184300000000, 0.0000303600000000 ] - [ -0.0003362200000000, 0.0001639700000000, -0.0000393300000000 ] - [ 0.0005838200000000, 0.0000742800000000, -0.0000783700000000 ] - [ 0.0001402200000000, 0.0000243500000000, -0.0001587600000000 ] - [ -0.0009624700000000, -0.0003910000000000, 0.0006767800000000 ] - [ 0.0000785900000000, 0.0001270300000000, 0.0001428700000000 ] - [ -0.0012903900000000, 0.0006741100000000, -0.0000588600000000 ] - [ -0.0003749900000000, -0.0001293900000000, -0.0002960300000000 ] - [ -0.0001339300000000, 0.0001978300000000, 0.0003366700000000 ] - [ -0.0002957600000000, 0.0002535800000000, 0.0002949200000000 ] - [ 0.0006919500000000, 0.0003299800000000, 0.0008921600000000 ] - [ 0.0005564800000000, -0.0012757900000000, 0.0004880400000000 ] - [ -0.0000542700000000, -0.0001600600000000, -0.0001769700000000 ] - [ -0.0003623900000000, 0.0002157400000000, -0.0001673500000000 ] - [ 0.0004358600000000, -0.0008906300000000, -0.0012922500000000 ] - [ -0.0006248500000000, 0.0009551300000000, -0.0006035700000000 ] - [ -0.0007131600000000, -0.0009107800000000, 0.0016784500000000 ] - [ -0.0003496200000000, 0.0000641000000000, 0.0002356000000000 ] - [ 0.0000373000000000, -0.0003509300000000, 0.0001854600000000 ] - [ -0.0009821700000000, 0.0001914800000000, -0.0002054200000000 ] - [ 0.0001541200000000, -0.0002326700000000, 0.0000968800000000 ] - [ -0.0000469200000000, -0.0002353600000000, -0.0001847500000000 ] - [ -0.0047766700000000, 0.0006388400000000, -0.0008176300000000 ] - [ -0.0002451200000000, -0.0000892500000000, -0.0001822100000000 ] - [ -0.0003501600000000, -0.0001027400000000, 0.0002385100000000 ] - [ -0.0001823300000000, -0.0001558300000000, 0.0000997400000000 ] - [ -0.0004382500000000, 0.0001421600000000, -0.0000102500000000 ] - [ 0.0001148600000000, 0.0000190900000000, -0.0003464900000000 ] - [ 0.0000717200000000, 0.0000204500000000, -0.0000695000000000 ] - [ 0.0000367000000000, -0.0003501400000000, 0.0003205600000000 ] - [ 0.0004717700000000, 0.0001234900000000, -0.0000529800000000 ] - [ 0.0846622300000000, -0.0126987800000000, -0.0093977100000000 ] - [ 0.0001128900000000, 0.0003550700000000, 0.0001539600000000 ] - [ -0.0014501700000000, -0.0006095100000000, 0.0003879900000000 ] - [ 0.0002109900000000, -0.0003215500000000, -0.0000145100000000 ] - [ -0.0000448100000000, 0.0000081300000000, 0.0002656100000000 ] - [ -0.0000227200000000, 0.0002478100000000, 0.0003469400000000 ] - [ -0.0005062300000000, -0.0000906500000000, -0.0000583900000000 ] - [ -0.0000334100000000, -0.0000186200000000, 0.0000618700000000 ] - [ -0.0002505900000000, 0.0003139600000000, 0.0000010800000000 ] - [ -0.0001277300000000, -0.0000741600000000, -0.0000371100000000 ] - [ -0.0010968800000000, 0.0013892200000000, 0.0012503000000000 ] - [ 0.0000747800000000, 0.0003682000000000, -0.0001172200000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002905400000000, 0.0066744600000000, 0.0003268200000000 ] - [ 0.0000399900000000, 0.0000548700000000, 0.0000659900000000 ] - [ 0.0002898300000000, -0.0000770000000000, -0.0000343400000000 ] - [ -0.0001617800000000, 0.0000338000000000, 0.0002124600000000 ] - [ 0.0000164300000000, 0.0000338100000000, 0.0001173400000000 ] - [ 0.0002391500000000, 0.0001035400000000, -0.0002015400000000 ] - [ -0.0002525300000000, -0.0004430200000000, 0.0001377000000000 ] - [ 0.0001273000000000, -0.0000294900000000, -0.0001583300000000 ] - [ -0.0003844100000000, 0.0002269700000000, -0.0000576000000000 ] - [ 0.0002532200000000, -0.0001415600000000, 0.0001662400000000 ] - [ 0.0000836100000000, 0.0000580700000000, -0.0000061000000000 ] - [ -0.0003145000000000, -0.0000558400000000, -0.0003103200000000 ] - [ -0.0003715600000000, -0.0000613300000000, 0.0000442800000000 ] - [ -0.0002084100000000, 0.0000073100000000, -0.0005701700000000 ] - [ 0.0000064800000000, -0.0000627800000000, 0.0001340600000000 ] - [ 0.0008076800000000, -0.0010108900000000, -0.0008881800000000 ] - [ -0.0002157500000000, 0.0001101100000000, -0.0000091100000000 ] - [ 0.0001571200000000, 0.0000796300000000, 0.0001156800000000 ] - [ 0.0001924600000000, -0.0000230000000000, -0.0001195100000000 ] - [ -0.0005109000000000, 0.0003317500000000, -0.0014694700000000 ] - [ -0.0002678500000000, -0.0002308400000000, 0.0000478400000000 ] - [ 0.0001192500000000, 0.0002638900000000, -0.0001763900000000 ] - [ -0.0003700700000000, -0.0001044600000000, 0.0000322700000000 ] - [ -0.0002325200000000, 0.0001259100000000, 0.0000056200000000 ] - [ 0.0002062100000000, -0.0001709800000000, -0.0001116500000000 ] - [ -0.0000934100000000, -0.0003111900000000, 0.0002347600000000 ] - [ -0.0000069200000000, -0.0002795600000000, 0.0000415400000000 ] - [ -0.0002123600000000, -0.0001894200000000, 0.0001426100000000 ] - [ 0.0002522700000000, 0.0001565900000000, 0.0000155300000000 ] - [ -0.0000575200000000, -0.0001498000000000, -0.0000662100000000 ] - [ 0.0008850000000000, 0.0071047700000000, -0.0004296100000000 ] - [ 0.0000454000000000, 0.0000377200000000, -0.0000550400000000 ] - [ 0.0010272800000000, 0.0001847200000000, 0.0004455100000000 ] - [ -0.0002150500000000, -0.0003785800000000, -0.0002981000000000 ] - [ -0.0005413900000000, -0.0007113100000000, -0.0004031700000000 ] - [ -0.0002994000000000, 0.0002455500000000, -0.0003133800000000 ] - [ 0.0001861900000000, 0.0005438300000000, -0.0011062700000000 ] - [ -0.0001324400000000, 0.0002151000000000, -0.0002680200000000 ] - [ 0.0004048500000000, -0.0003422200000000, -0.0005259900000000 ] - [ 0.0001286800000000, -0.0001704800000000, 0.0000885400000000 ] - [ 0.0002997100000000, 0.0001415300000000, 0.0000362100000000 ] - [ 0.0003582700000000, -0.0002655600000000, -0.0001674400000000 ] - [ -0.0110148200000000, 0.0067144500000000, 0.0019846300000000 ] - [ -0.0003154800000000, -0.0001264000000000, -0.0001401100000000 ] - [ 0.0004878100000000, -0.0006120400000000, 0.0006529900000000 ] - [ 0.0004067100000000, -0.0001322800000000, 0.0003093600000000 ] - [ -0.0003954200000000, 0.0003696700000000, -0.0001601400000000 ] - [ 0.0003410000000000, -0.0000398600000000, 0.0000787400000000 ] - [ -0.0003943600000000, 0.0014171100000000, -0.0007774200000000 ] - [ 0.0000037600000000, -0.0002703800000000, 0.0000531200000000 ] - [ -0.0000194300000000, 0.0002326400000000, 0.0001990000000000 ] - [ 0.0001625000000000, -0.0006463800000000, -0.0001427700000000 ] - [ 0.0000765600000000, 0.0001962000000000, -0.0002280200000000 ] - [ -0.0003295400000000, 0.0000806300000000, 0.0004081100000000 ] - [ -0.0000009000000000, 0.0001735600000000, 0.0001131100000000 ] - [ -0.0000100600000000, -0.0003065000000000, -0.0001075100000000 ] - [ 0.0015476100000000, 0.0003885800000000, -0.0007417400000000 ] - [ -0.0001203100000000, 0.0000567500000000, -0.0002196800000000 ] - [ -0.0003383500000000, 0.0003203400000000, -0.0001055600000000 ] - [ 0.0006115800000000, 0.0010711500000000, 0.0020690300000000 ] - [ -0.0005666800000000, 0.0007576600000000, -0.0003529200000000 ] - [ 0.0005570500000000, -0.0001709400000000, -0.0004709100000000 ] - [ 0.0001897800000000, -0.0003230000000000, 0.0003815200000000 ] - [ 0.0002870100000000, 0.0006224700000000, 0.0002514400000000 ] - [ -0.0004760700000000, 0.0001753200000000, -0.0000231500000000 ] - [ 0.0000074100000000, 0.0000852400000000, 0.0000193700000000 ] - [ -0.0000226200000000, -0.0002118200000000, -0.0004094300000000 ] - [ -0.0002362800000000, -0.0007576000000000, -0.0001347700000000 ] - [ -0.0002110500000000, -0.0001202600000000, -0.0001718100000000 ] - [ -0.0003429300000000, 0.0000512100000000, 0.0002839200000000 ] - [ -0.0002584300000000, 0.0001913300000000, 0.0002007000000000 ] - [ -0.0005091200000000, 0.0001924500000000, -0.0000544100000000 ] - [ 0.0000274100000000, -0.0000001700000000, -0.0003044700000000 ] - [ -0.0000044700000000, 0.0002349500000000, -0.0000869600000000 ] - [ -0.0001899100000000, -0.0003753600000000, 0.0004135700000000 ] - [ 0.0004378700000000, 0.0000917200000000, 0.0000472000000000 ] - [ 0.0126783700000000, -0.0230282900000000, 0.0002454700000000 ] - [ -0.0001594300000000, 0.0008348800000000, 0.0001678200000000 ] - [ 0.0002623900000000, -0.0006558000000000, -0.0000067100000000 ] - [ 0.0000211300000000, -0.0002674700000000, -0.0000666400000000 ] - [ 0.0000399600000000, -0.0000635600000000, 0.0002044300000000 ] - [ 0.0000873200000000, 0.0002987400000000, 0.0003500300000000 ] - [ -0.0003693400000000, -0.0000917900000000, -0.0000834000000000 ] - [ 0.0002861200000000, -0.0000678900000000, -0.0002790400000000 ] - [ -0.0000288600000000, 0.0005118100000000, 0.0000432000000000 ] - [ 0.0000976700000000, -0.0001863300000000, 0.0003101500000000 ] - [ -0.0034440300000000, 0.0014021000000000, 0.0018817700000000 ] - [ 0.0001538300000000, 0.0004585600000000, -0.0002661500000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001294800000000, -0.0058756500000000, 0.0002401600000000 ] - [ 0.0000835700000000, 0.0000774800000000, -0.0000442000000000 ] - [ 0.0001632900000000, -0.0000870600000000, 0.0000167900000000 ] - [ -0.0002595100000000, -0.0000357100000000, 0.0000166900000000 ] - [ -0.0000732600000000, 0.0000164900000000, 0.0001265600000000 ] - [ -0.0007077900000000, -0.0003915200000000, 0.0001841000000000 ] - [ -0.0001695500000000, 0.0004448400000000, 0.0000902000000000 ] - [ -0.0000066800000000, -0.0001022500000000, 0.0001823100000000 ] - [ -0.0000328600000000, 0.0002086100000000, 0.0003337600000000 ] - [ 0.0001847800000000, -0.0000657800000000, -0.0001484100000000 ] - [ 0.0003377700000000, -0.0000559000000000, -0.0002246500000000 ] - [ 0.0003731700000000, 0.0001072400000000, 0.0000668000000000 ] - [ -0.0000655900000000, -0.0001475700000000, -0.0000595900000000 ] - [ 0.0006554000000000, 0.0001631100000000, 0.0005239100000000 ] - [ -0.0000630800000000, 0.0000106900000000, 0.0001100800000000 ] - [ -0.0006738400000000, 0.0005003500000000, 0.0003505100000000 ] - [ -0.0002232000000000, 0.0000969400000000, -0.0000086900000000 ] - [ -0.0002802700000000, 0.0000521200000000, -0.0001383400000000 ] - [ 0.0002312000000000, 0.0000219800000000, -0.0001093400000000 ] - [ 0.0009619200000000, -0.0001399800000000, 0.0015124000000000 ] - [ -0.0001856700000000, 0.0003949600000000, -0.0000305000000000 ] - [ 0.0000462800000000, 0.0002298600000000, -0.0003794200000000 ] - [ -0.0000850700000000, -0.0000578100000000, -0.0000162400000000 ] - [ -0.0002365500000000, 0.0001629900000000, -0.0000229500000000 ] - [ 0.0002109100000000, -0.0002644600000000, -0.0001645200000000 ] - [ -0.0000719900000000, -0.0001824500000000, 0.0003220300000000 ] - [ 0.0004773700000000, -0.0000097500000000, -0.0000228200000000 ] - [ -0.0002066400000000, -0.0002461500000000, 0.0001396400000000 ] - [ 0.0002181200000000, 0.0001315600000000, 0.0000019600000000 ] - [ -0.0000656600000000, 0.0000175000000000, 0.0000444400000000 ] - [ -0.0004656000000000, -0.0069942900000000, 0.0001530400000000 ] - [ 0.0000116600000000, -0.0000882500000000, -0.0001883400000000 ] - [ -0.0010082000000000, -0.0001651800000000, -0.0005066800000000 ] - [ -0.0005958100000000, 0.0003190100000000, 0.0001548900000000 ] - [ -0.0002711000000000, 0.0007687100000000, 0.0002549800000000 ] - [ -0.0001405100000000, -0.0003306100000000, -0.0001303800000000 ] - [ 0.0002739600000000, -0.0009092800000000, 0.0016608800000000 ] - [ -0.0003340000000000, 0.0001542200000000, -0.0002815800000000 ] - [ -0.0008685300000000, -0.0000278700000000, -0.0000250700000000 ] - [ -0.0001497500000000, 0.0001459200000000, -0.0000190600000000 ] - [ -0.0003182400000000, -0.0001185600000000, 0.0000311100000000 ] - [ 0.0004550300000000, 0.0002167900000000, 0.0003231800000000 ] - [ 0.0115653700000000, -0.0067467900000000, -0.0015731700000000 ] - [ -0.0001342700000000, 0.0002085100000000, -0.0003000500000000 ] - [ -0.0000282000000000, 0.0009872500000000, -0.0001079000000000 ] - [ 0.0000427500000000, 0.0000479800000000, 0.0001308500000000 ] - [ 0.0004174000000000, -0.0003974700000000, 0.0000884800000000 ] - [ 0.0004716700000000, 0.0000990400000000, 0.0000630200000000 ] - [ 0.0003430100000000, -0.0014712700000000, 0.0004040100000000 ] - [ 0.0000230500000000, 0.0000069900000000, -0.0002023700000000 ] - [ 0.0003654600000000, 0.0001111300000000, 0.0004228900000000 ] - [ 0.0001197400000000, -0.0002124000000000, -0.0002658400000000 ] - [ 0.0004066300000000, -0.0000723600000000, -0.0001676100000000 ] - [ -0.0001533500000000, 0.0000452400000000, -0.0000105000000000 ] - [ 0.0000481800000000, 0.0000858900000000, 0.0002383800000000 ] - [ 0.0002946600000000, 0.0004667100000000, 0.0004078800000000 ] - [ -0.0006956900000000, -0.0006963100000000, 0.0009221500000000 ] - [ -0.0002255700000000, -0.0004012300000000, -0.0004048100000000 ] - [ 0.0000559100000000, -0.0001636000000000, -0.0001975700000000 ] - [ -0.0006251500000000, -0.0007999900000000, -0.0019057800000000 ] - [ 0.0005906800000000, -0.0004970000000000, 0.0002088300000000 ] - [ -0.0006014600000000, -0.0000896600000000, 0.0001242100000000 ] - [ -0.0000408800000000, -0.0002078100000000, 0.0003042800000000 ] - [ -0.0000069500000000, -0.0007821700000000, 0.0000511500000000 ] - [ 0.0005421600000000, -0.0001163500000000, 0.0003971500000000 ] - [ -0.0000267100000000, -0.0003509700000000, 0.0001266400000000 ] - [ -0.0001265000000000, -0.0003197200000000, -0.0002760800000000 ] - [ 0.0000918200000000, 0.0012847700000000, -0.0005546800000000 ] - [ -0.0000688500000000, -0.0000383600000000, -0.0001307700000000 ] - [ 0.0003932300000000, -0.0003100500000000, 0.0000650300000000 ] - [ -0.0002263900000000, -0.0003174800000000, 0.0001946200000000 ] - [ -0.0003544300000000, 0.0001052000000000, -0.0001190500000000 ] - [ -0.0000779500000000, 0.0002594700000000, -0.0000443600000000 ] - [ -0.0000420700000000, -0.0001745500000000, -0.0002824200000000 ] - [ -0.0001042400000000, -0.0004849100000000, -0.0000007600000000 ] - [ 0.0004245100000000, 0.0002081500000000, 0.0001296200000000 ] - [ -0.0126415400000000, 0.0237753800000000, -0.0004354800000000 ] - [ -0.0001341200000000, 0.0000259600000000, 0.0002440900000000 ] - [ -0.0003772600000000, 0.0000657600000000, 0.0001449200000000 ] - [ 0.0000818600000000, -0.0003169800000000, -0.0000694300000000 ] - [ 0.0000064900000000, 0.0000016100000000, 0.0001646200000000 ] - [ 0.0000609300000000, 0.0002324800000000, 0.0003362000000000 ] - [ -0.0004934700000000, -0.0002075200000000, -0.0000927400000000 ] - [ 0.0001977700000000, -0.0000585700000000, -0.0001196400000000 ] - [ -0.0000735800000000, 0.0000723400000000, 0.0000929800000000 ] - [ 0.0002490100000000, -0.0001553800000000, 0.0003119000000000 ] - [ 0.0030720600000000, -0.0010475200000000, -0.0024868000000000 ] - [ 0.0001393000000000, 0.0004012800000000, -0.0001457100000000 ]- atom: 77 displacement: [ -0.0005471291626237, 0.0000000000000000, 0.0099850212658465 ] forces: - [ -0.0001431200000000, 0.0006711300000000, 0.0007439200000000 ] - [ 0.0000673800000000, 0.0000607900000000, -0.0000985400000000 ] - [ 0.0003282600000000, -0.0001313800000000, -0.0000849000000000 ] - [ -0.0001899200000000, -0.0000303900000000, -0.0001030600000000 ] - [ 0.0000282600000000, 0.0000181400000000, 0.0000164800000000 ] - [ -0.0000226300000000, -0.0002972800000000, -0.0000411700000000 ] - [ -0.0002451800000000, 0.0000524100000000, 0.0002596300000000 ] - [ 0.0000514000000000, -0.0001067100000000, 0.0005219900000000 ] - [ -0.0003311400000000, 0.0002727200000000, -0.0000690000000000 ] - [ 0.0001617400000000, 0.0000043200000000, -0.0001660800000000 ] - [ 0.0006026000000000, -0.0000414800000000, -0.0001130700000000 ] - [ -0.0000368700000000, -0.0002018000000000, 0.0000967000000000 ] - [ -0.0003298100000000, -0.0000231700000000, 0.0001873500000000 ] - [ 0.0035276000000000, -0.0008547500000000, 0.0080447400000000 ] - [ -0.0000493900000000, -0.0000171100000000, 0.0002250500000000 ] - [ -0.0025383000000000, -0.0006594800000000, 0.0008038200000000 ] - [ -0.0001805100000000, 0.0001171700000000, -0.0001132700000000 ] - [ -0.0001203100000000, 0.0002582800000000, 0.0001154700000000 ] - [ 0.0001707900000000, -0.0000248100000000, -0.0000930300000000 ] - [ 0.0039781000000000, -0.0013205300000000, 0.0086947800000000 ] - [ -0.0002337000000000, -0.0000751200000000, 0.0001168000000000 ] - [ 0.0000983000000000, 0.0002194600000000, -0.0003557600000000 ] - [ -0.0001941300000000, -0.0000306600000000, -0.0001643700000000 ] - [ -0.0002589800000000, 0.0001259900000000, -0.0000161300000000 ] - [ 0.0001064200000000, -0.0001745300000000, -0.0004569800000000 ] - [ -0.0000639700000000, -0.0003052700000000, 0.0001280000000000 ] - [ 0.0003856100000000, 0.0000476000000000, 0.0000384800000000 ] - [ -0.0002114200000000, -0.0001456400000000, 0.0002338800000000 ] - [ 0.0001815700000000, 0.0001656700000000, -0.0002298200000000 ] - [ -0.0000381000000000, -0.0001049500000000, -0.0001109300000000 ] - [ 0.0000320300000000, -0.0000708300000000, -0.0000543400000000 ] - [ 0.0001949600000000, 0.0000009400000000, -0.0005804700000000 ] - [ -0.0019499100000000, 0.0020473800000000, -0.0009011000000000 ] - [ -0.0003127000000000, -0.0001681800000000, -0.0005837600000000 ] - [ -0.0004123800000000, 0.0005963200000000, 0.0010362400000000 ] - [ -0.0000268900000000, -0.0001327500000000, -0.0001555500000000 ] - [ 0.0005121600000000, -0.0009719100000000, -0.0000642900000000 ] - [ 0.0003560600000000, 0.0003747100000000, -0.0001214300000000 ] - [ -0.0005597000000000, -0.0002743700000000, 0.0000114500000000 ] - [ -0.0000655200000000, 0.0000242700000000, -0.0000092500000000 ] - [ 0.0001311700000000, 0.0000085300000000, 0.0000461900000000 ] - [ 0.0003989500000000, -0.0004994900000000, -0.0000282700000000 ] - [ -0.0144371800000000, 0.0018624600000000, 0.0094560800000000 ] - [ -0.0004162900000000, 0.0001348200000000, -0.0003316700000000 ] - [ 0.0006715400000000, -0.0006759900000000, 0.0001223200000000 ] - [ 0.0002078600000000, 0.0001031700000000, -0.0002953100000000 ] - [ -0.0002284900000000, 0.0000563300000000, -0.0002690600000000 ] - [ 0.0004218600000000, -0.0001057200000000, -0.0003678400000000 ] - [ 0.0001842900000000, -0.0010759700000000, -0.0003794100000000 ] - [ -0.0009931800000000, -0.0003910200000000, 0.0002450600000000 ] - [ 0.0003076900000000, 0.0000944100000000, 0.0003185000000000 ] - [ 0.0001213800000000, -0.0005175700000000, -0.0002501600000000 ] - [ 0.0002791700000000, 0.0002659700000000, -0.0004265000000000 ] - [ -0.0003328500000000, 0.0002314500000000, 0.0005462000000000 ] - [ -0.0000500700000000, 0.0000491500000000, 0.0002884500000000 ] - [ -0.0005148800000000, 0.0004254500000000, 0.0013929300000000 ] - [ 0.0003186100000000, -0.0011363500000000, 0.0001842900000000 ] - [ -0.0000931400000000, 0.0000611700000000, 0.0000266200000000 ] - [ -0.0001014700000000, 0.0000739100000000, -0.0002074900000000 ] - [ 0.0004146500000000, 0.0014912000000000, 0.0011832200000000 ] - [ 0.0003933700000000, -0.0001913200000000, -0.0001787700000000 ] - [ -0.0019082600000000, -0.0005205900000000, 0.0007945600000000 ] - [ 0.0000693800000000, -0.0004530600000000, 0.0000888300000000 ] - [ 0.0000034000000000, 0.0004259300000000, 0.0003112400000000 ] - [ -0.0011180100000000, 0.0003668200000000, -0.0001839900000000 ] - [ -0.0001534300000000, -0.0000316100000000, 0.0001616000000000 ] - [ -0.0000683600000000, -0.0002308100000000, 0.0000087300000000 ] - [ 0.0035441100000000, 0.0000844900000000, -0.0010624500000000 ] - [ -0.0001543000000000, -0.0000509100000000, -0.0000856300000000 ] - [ -0.0001832500000000, -0.0000750000000000, 0.0001834100000000 ] - [ -0.0001404600000000, -0.0001920500000000, -0.0000942600000000 ] - [ -0.0004466000000000, 0.0000880600000000, -0.0000648600000000 ] - [ -0.0000154200000000, 0.0001818400000000, -0.0000032700000000 ] - [ -0.0001011400000000, 0.0001742000000000, 0.0000109100000000 ] - [ -0.0001425700000000, -0.0003728400000000, 0.0005686600000000 ] - [ 0.0006178600000000, 0.0001882000000000, 0.0004906900000000 ] - [ 0.0133901700000000, -0.0000822600000000, -0.0306190700000000 ] - [ -0.0001170600000000, 0.0003564400000000, -0.0001341300000000 ] - [ -0.0004463600000000, -0.0003843000000000, 0.0001218400000000 ] - [ 0.0000077900000000, -0.0002945900000000, 0.0001708400000000 ] - [ 0.0000141200000000, 0.0000202000000000, 0.0003149900000000 ] - [ 0.0001113200000000, 0.0002922500000000, 0.0004444400000000 ] - [ -0.0004497800000000, -0.0001290600000000, -0.0000903000000000 ] - [ -0.0000030700000000, 0.0000103100000000, 0.0001185400000000 ] - [ 0.0000058100000000, 0.0003184400000000, 0.0002007800000000 ] - [ 0.0000664300000000, -0.0001988800000000, 0.0004653400000000 ] - [ -0.0015455800000000, 0.0009610300000000, 0.0001002600000000 ] - [ 0.0002115900000000, 0.0003889600000000, 0.0001184200000000 ]- atom: 77 displacement: [ 0.0005471291626237, 0.0000000000000000, -0.0099850212658465 ] forces: - [ -0.0000203400000000, -0.0001997400000000, -0.0001864800000000 ] - [ 0.0000560800000000, 0.0000719300000000, 0.0001215300000000 ] - [ 0.0001257500000000, -0.0000340100000000, 0.0000688900000000 ] - [ -0.0002319200000000, 0.0000278500000000, 0.0003319700000000 ] - [ -0.0000844200000000, 0.0000324000000000, 0.0002280400000000 ] - [ -0.0004492400000000, 0.0000090000000000, 0.0000254800000000 ] - [ -0.0001760800000000, -0.0000500000000000, -0.0000317000000000 ] - [ 0.0000717200000000, -0.0000247800000000, -0.0004911700000000 ] - [ -0.0000857400000000, 0.0001633800000000, 0.0003459300000000 ] - [ 0.0002765300000000, -0.0002110000000000, 0.0001845000000000 ] - [ -0.0001799100000000, 0.0000439800000000, -0.0001171800000000 ] - [ 0.0000935600000000, 0.0002514100000000, -0.0003405000000000 ] - [ -0.0001089400000000, -0.0001859400000000, -0.0002052300000000 ] - [ -0.0029202300000000, 0.0009793700000000, -0.0078378700000000 ] - [ -0.0000065000000000, -0.0000349000000000, 0.0000188400000000 ] - [ 0.0027400600000000, 0.0001666900000000, -0.0013411300000000 ] - [ -0.0002582600000000, 0.0000901100000000, 0.0000966300000000 ] - [ -0.0000056900000000, -0.0001245800000000, -0.0001433000000000 ] - [ 0.0002494400000000, 0.0000223800000000, -0.0001338800000000 ] - [ -0.0037101700000000, 0.0015927300000000, -0.0090129100000000 ] - [ -0.0002206100000000, 0.0002392300000000, -0.0000992300000000 ] - [ 0.0000661700000000, 0.0002743600000000, -0.0001993400000000 ] - [ -0.0002599700000000, -0.0001308300000000, 0.0001829700000000 ] - [ -0.0002113900000000, 0.0001622200000000, -0.0000005000000000 ] - [ 0.0003093500000000, -0.0002617000000000, 0.0001793100000000 ] - [ -0.0001003800000000, -0.0001878300000000, 0.0004292400000000 ] - [ 0.0000856900000000, -0.0003353300000000, -0.0000216600000000 ] - [ -0.0002081400000000, -0.0002907000000000, 0.0000439000000000 ] - [ 0.0002888600000000, 0.0001228600000000, 0.0002445700000000 ] - [ -0.0000860100000000, -0.0000272800000000, 0.0000880300000000 ] - [ 0.0003939500000000, 0.0005396900000000, -0.0002265300000000 ] - [ -0.0001359000000000, -0.0000510000000000, 0.0003361600000000 ] - [ 0.0019477200000000, -0.0020319200000000, 0.0008483800000000 ] - [ -0.0005009800000000, 0.0001081900000000, 0.0004412100000000 ] - [ -0.0004001500000000, -0.0005366100000000, -0.0011828400000000 ] - [ -0.0004266500000000, 0.0000545100000000, -0.0002857800000000 ] - [ -0.0000529000000000, 0.0006040000000000, 0.0006283200000000 ] - [ -0.0008180400000000, -0.0000111100000000, -0.0004391300000000 ] - [ 0.0001033100000000, -0.0000929000000000, -0.0005681600000000 ] - [ 0.0000466200000000, -0.0000493400000000, 0.0000825200000000 ] - [ -0.0001498400000000, 0.0000170300000000, 0.0000259900000000 ] - [ 0.0004066500000000, 0.0004423600000000, 0.0001701000000000 ] - [ 0.0149205600000000, -0.0017710200000000, -0.0091219200000000 ] - [ -0.0000326300000000, -0.0000536800000000, -0.0001108900000000 ] - [ -0.0002121700000000, 0.0010481100000000, 0.0004275400000000 ] - [ 0.0002391300000000, -0.0001810700000000, 0.0007445400000000 ] - [ 0.0002526500000000, -0.0000904000000000, 0.0001858300000000 ] - [ 0.0003918800000000, 0.0001648400000000, 0.0005093400000000 ] - [ -0.0002322600000000, 0.0010148600000000, 0.0000148200000000 ] - [ 0.0010160000000000, 0.0001279800000000, -0.0003830600000000 ] - [ 0.0000376800000000, 0.0002483700000000, 0.0003043200000000 ] - [ 0.0001780400000000, -0.0003511600000000, -0.0001689200000000 ] - [ 0.0002067000000000, -0.0001388900000000, 0.0000334400000000 ] - [ -0.0001511100000000, -0.0001038100000000, -0.0001485200000000 ] - [ 0.0001014900000000, 0.0002102000000000, 0.0000604300000000 ] - [ 0.0007818000000000, -0.0002633900000000, -0.0010575500000000 ] - [ 0.0005455600000000, 0.0008324400000000, -0.0000124800000000 ] - [ -0.0002537700000000, -0.0004064600000000, -0.0006502400000000 ] - [ -0.0001815400000000, 0.0000833900000000, -0.0000946400000000 ] - [ -0.0004325300000000, -0.0012208100000000, -0.0010344900000000 ] - [ -0.0003763600000000, 0.0004599600000000, 0.0000320300000000 ] - [ 0.0018483600000000, 0.0002582500000000, -0.0011405200000000 ] - [ 0.0000815900000000, -0.0000784400000000, 0.0006005400000000 ] - [ 0.0002829800000000, -0.0005845300000000, -0.0000064200000000 ] - [ 0.0011672300000000, -0.0003048500000000, 0.0005660200000000 ] - [ 0.0001333100000000, -0.0002331100000000, -0.0000156700000000 ] - [ -0.0000810000000000, -0.0002998200000000, -0.0006966900000000 ] - [ -0.0036842500000000, 0.0004396000000000, 0.0003807600000000 ] - [ -0.0001271700000000, -0.0001071500000000, -0.0002186700000000 ] - [ 0.0002332200000000, -0.0001852800000000, 0.0001653200000000 ] - [ -0.0003451900000000, 0.0000664400000000, 0.0004897900000000 ] - [ -0.0004171800000000, 0.0002117100000000, -0.0001105900000000 ] - [ -0.0000373700000000, 0.0000801800000000, -0.0003430300000000 ] - [ 0.0000552100000000, -0.0001102100000000, -0.0003794400000000 ] - [ -0.0001496500000000, -0.0004873300000000, -0.0001553100000000 ] - [ 0.0002442500000000, 0.0001118600000000, -0.0003141200000000 ] - [ -0.0133142700000000, 0.0006207800000000, 0.0306106400000000 ] - [ -0.0001766700000000, 0.0005020100000000, 0.0005470100000000 ] - [ 0.0003470000000000, -0.0001978300000000, 0.0000105700000000 ] - [ 0.0000961000000000, -0.0002887500000000, -0.0003068500000000 ] - [ 0.0000320400000000, -0.0000823100000000, 0.0000542100000000 ] - [ 0.0000371400000000, 0.0002384900000000, 0.0002425400000000 ] - [ -0.0004130200000000, -0.0001697400000000, -0.0000867800000000 ] - [ 0.0004886000000000, -0.0001365800000000, -0.0005152500000000 ] - [ -0.0001094800000000, 0.0002663700000000, -0.0000652200000000 ] - [ 0.0002851300000000, -0.0001456700000000, 0.0001578700000000 ] - [ 0.0011911700000000, -0.0006084500000000, -0.0007257100000000 ] - [ 0.0000797300000000, 0.0004707000000000, -0.0005325500000000 ]