# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/031fd8de-945b-49ef-a867-36413ad63a5f/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 CuAs2Pb8Cl5O9 / C2/m (12) / materials id 653930](https://mdr.nims.go.jp/datasets/54cbb34c-6053-484d-8065-1e1beb54a09e) ## 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: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.713795810000000, -10.047809320000001, 0.022898555000000 ] # a - [ 6.713795810000000, 10.047809320000001, 0.022898555000000 ] # b - [ -2.092151410000000, 0.000000000000000, 7.132755880000000 ] # c points: - symbol: Cu # 1 coordinates: [ 0.573937800000000, 0.426062200000000, 0.500000000000000 ] mass: 63.546000 - symbol: Cu # 2 coordinates: [ 0.426062200000000, 0.573937800000000, 0.500000000000000 ] mass: 63.546000 - symbol: As # 3 coordinates: [ 0.784644940000000, 0.552791020000000, 0.579730230000000 ] mass: 74.921600 - symbol: As # 4 coordinates: [ 0.447208980000000, 0.215355060000000, 0.420269770000000 ] mass: 74.921600 - symbol: As # 5 coordinates: [ 0.215355060000000, 0.447208980000000, 0.420269770000000 ] mass: 74.921600 - symbol: As # 6 coordinates: [ 0.552791020000000, 0.784644940000000, 0.579730230000000 ] mass: 74.921600 - symbol: Pb # 7 coordinates: [ 0.445617300000000, 0.251989580000000, 0.930193200000000 ] mass: 207.200000 - symbol: Pb # 8 coordinates: [ 0.857076710000000, 0.857076710000000, 0.425272750000000 ] mass: 207.200000 - symbol: Pb # 9 coordinates: [ 0.945135710000000, 0.339010630000000, 0.571908770000000 ] mass: 207.200000 - symbol: Pb # 10 coordinates: [ 0.943603830000000, 0.356837750000000, 0.075989300000000 ] mass: 207.200000 - symbol: Pb # 11 coordinates: [ 0.554382700000000, 0.748010420000000, 0.069806800000000 ] mass: 207.200000 - symbol: Pb # 12 coordinates: [ 0.142923290000000, 0.142923290000000, 0.574727250000000 ] mass: 207.200000 - symbol: Pb # 13 coordinates: [ 0.145881150000000, 0.145881150000000, 0.081572050000000 ] mass: 207.200000 - symbol: Pb # 14 coordinates: [ 0.748010420000000, 0.554382700000000, 0.069806800000000 ] mass: 207.200000 - symbol: Pb # 15 coordinates: [ 0.251989580000000, 0.445617300000000, 0.930193200000000 ] mass: 207.200000 - symbol: Pb # 16 coordinates: [ 0.356837750000000, 0.943603830000000, 0.075989300000000 ] mass: 207.200000 - symbol: Pb # 17 coordinates: [ 0.854118850000000, 0.854118850000000, 0.918427950000000 ] mass: 207.200000 - symbol: Pb # 18 coordinates: [ 0.054864290000000, 0.660989370000000, 0.428091230000000 ] mass: 207.200000 - symbol: Pb # 19 coordinates: [ 0.660989370000000, 0.054864290000000, 0.428091230000000 ] mass: 207.200000 - symbol: Pb # 20 coordinates: [ 0.643162250000000, 0.056396170000000, 0.924010700000000 ] mass: 207.200000 - symbol: Pb # 21 coordinates: [ 0.056396170000000, 0.643162250000000, 0.924010700000000 ] mass: 207.200000 - symbol: Pb # 22 coordinates: [ 0.339010630000000, 0.945135710000000, 0.571908770000000 ] mass: 207.200000 - symbol: Cl # 23 coordinates: [ 0.725805760000000, 0.306228000000000, 0.770380560000000 ] mass: 35.453000 - symbol: Cl # 24 coordinates: [ 0.306228000000000, 0.725805760000000, 0.770380560000000 ] mass: 35.453000 - symbol: Cl # 25 coordinates: [ 0.126573270000000, 0.933971310000000, 0.774065860000000 ] mass: 35.453000 - symbol: Cl # 26 coordinates: [ 0.274194240000000, 0.693772000000000, 0.229619440000000 ] mass: 35.453000 - symbol: Cl # 27 coordinates: [ 0.693772000000000, 0.274194240000000, 0.229619440000000 ] mass: 35.453000 - symbol: Cl # 28 coordinates: [ 0.498470630000000, 0.498470630000000, 0.253831010000000 ] mass: 35.453000 - symbol: Cl # 29 coordinates: [ 0.501529370000000, 0.501529370000000, 0.746168990000000 ] mass: 35.453000 - symbol: Cl # 30 coordinates: [ 0.873426730000000, 0.066028690000000, 0.225934140000000 ] mass: 35.453000 - symbol: Cl # 31 coordinates: [ 0.066028690000000, 0.873426730000000, 0.225934140000000 ] mass: 35.453000 - symbol: Cl # 32 coordinates: [ 0.933971310000000, 0.126573270000000, 0.774065860000000 ] mass: 35.453000 - symbol: O # 33 coordinates: [ 0.759489930000000, 0.759489930000000, 0.124898160000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.647963230000000, 0.829877950000000, 0.809053240000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.917773880000000, 0.522732580000000, 0.594794120000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.345771300000000, 0.171027060000000, 0.571123390000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.555818510000000, 0.943136650000000, 0.130500210000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.522732580000000, 0.917773880000000, 0.594794120000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.943136650000000, 0.555818510000000, 0.130500210000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.654228700000000, 0.828972940000000, 0.428876610000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.477267420000000, 0.082226120000000, 0.405205880000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.828972940000000, 0.654228700000000, 0.428876610000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.829877950000000, 0.647963230000000, 0.809053240000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.082226120000000, 0.477267420000000, 0.405205880000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.056863350000000, 0.444181490000000, 0.869499790000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.352036770000000, 0.170122050000000, 0.190946760000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.240510070000000, 0.240510070000000, 0.875101840000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.171027060000000, 0.345771300000000, 0.571123390000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.444181490000000, 0.056863350000000, 0.869499790000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.170122050000000, 0.352036770000000, 0.190946760000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.074399089832028, -0.049762090827576, 0.021822443290292 ] # a* - [ 0.074399089832028, 0.049762090827576, 0.021822443290292 ] # b* - [ -0.000477692403646, 0.000000000000000, 0.140058150309802 ] # c*unit_cell: lattice: - [ 13.427591619999999, 0.000000000000000, 0.045797110000000 ] # a - [ 0.000000000000000, 20.095618640000001, 0.000000000000000 ] # b - [ -2.092151410000000, 0.000000000000000, 7.132755880000000 ] # c points: - symbol: Cu # 1 coordinates: [ 0.500000000000000, 0.926062200000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 1 - symbol: Cu # 2 coordinates: [ 0.500000000000000, 0.073937800000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 2 - symbol: Cu # 3 coordinates: [ 0.000000000000000, 0.426062200000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 1 - symbol: Cu # 4 coordinates: [ 0.000000000000000, 0.573937800000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 2 - symbol: As # 5 coordinates: [ 0.668717980000000, 0.884073040000000, 0.579730230000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 6 coordinates: [ 0.331282020000000, 0.884073040000000, 0.420269770000000 ] mass: 74.921600 reduced_to: 6 - symbol: As # 7 coordinates: [ 0.331282020000000, 0.115926960000000, 0.420269770000000 ] mass: 74.921600 reduced_to: 7 - symbol: As # 8 coordinates: [ 0.668717980000000, 0.115926960000000, 0.579730230000000 ] mass: 74.921600 reduced_to: 8 - symbol: As # 9 coordinates: [ 0.168717980000000, 0.384073040000000, 0.579730230000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 10 coordinates: [ 0.831282020000000, 0.384073040000000, 0.420269770000000 ] mass: 74.921600 reduced_to: 6 - symbol: As # 11 coordinates: [ 0.831282020000000, 0.615926960000000, 0.420269770000000 ] mass: 74.921600 reduced_to: 7 - symbol: As # 12 coordinates: [ 0.168717980000000, 0.615926960000000, 0.579730230000000 ] mass: 74.921600 reduced_to: 8 - symbol: Pb # 13 coordinates: [ 0.348803440000000, 0.903186140000000, 0.930193200000000 ] mass: 207.200000 reduced_to: 13 - symbol: Pb # 14 coordinates: [ 0.857076710000000, 0.000000000000000, 0.425272750000000 ] mass: 207.200000 reduced_to: 14 - symbol: Pb # 15 coordinates: [ 0.642073170000000, 0.696937460000000, 0.571908770000000 ] mass: 207.200000 reduced_to: 15 - symbol: Pb # 16 coordinates: [ 0.650220790000000, 0.706616960000000, 0.075989300000000 ] mass: 207.200000 reduced_to: 16 - symbol: Pb # 17 coordinates: [ 0.651196560000000, 0.096813860000000, 0.069806800000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 18 coordinates: [ 0.142923290000000, 0.000000000000000, 0.574727250000000 ] mass: 207.200000 reduced_to: 18 - symbol: Pb # 19 coordinates: [ 0.145881150000000, 0.000000000000000, 0.081572050000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 20 coordinates: [ 0.651196560000000, 0.903186140000000, 0.069806800000000 ] mass: 207.200000 reduced_to: 20 - symbol: Pb # 21 coordinates: [ 0.348803440000000, 0.096813860000000, 0.930193200000000 ] mass: 207.200000 reduced_to: 21 - symbol: Pb # 22 coordinates: [ 0.650220790000000, 0.293383040000000, 0.075989300000000 ] mass: 207.200000 reduced_to: 22 - symbol: Pb # 23 coordinates: [ 0.854118850000000, 0.000000000000000, 0.918427950000000 ] mass: 207.200000 reduced_to: 23 - symbol: Pb # 24 coordinates: [ 0.357926830000000, 0.303062540000000, 0.428091230000000 ] mass: 207.200000 reduced_to: 24 - symbol: Pb # 25 coordinates: [ 0.357926830000000, 0.696937460000000, 0.428091230000000 ] mass: 207.200000 reduced_to: 25 - symbol: Pb # 26 coordinates: [ 0.349779210000000, 0.706616960000000, 0.924010700000000 ] mass: 207.200000 reduced_to: 26 - symbol: Pb # 27 coordinates: [ 0.349779210000000, 0.293383040000000, 0.924010700000000 ] mass: 207.200000 reduced_to: 27 - symbol: Pb # 28 coordinates: [ 0.642073170000000, 0.303062540000000, 0.571908770000000 ] mass: 207.200000 reduced_to: 28 - symbol: Pb # 29 coordinates: [ 0.848803440000000, 0.403186140000000, 0.930193200000000 ] mass: 207.200000 reduced_to: 13 - symbol: Pb # 30 coordinates: [ 0.357076710000000, 0.500000000000000, 0.425272750000000 ] mass: 207.200000 reduced_to: 14 - symbol: Pb # 31 coordinates: [ 0.142073170000000, 0.196937460000000, 0.571908770000000 ] mass: 207.200000 reduced_to: 15 - symbol: Pb # 32 coordinates: [ 0.150220790000000, 0.206616960000000, 0.075989300000000 ] mass: 207.200000 reduced_to: 16 - symbol: Pb # 33 coordinates: [ 0.151196560000000, 0.596813860000000, 0.069806800000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 34 coordinates: [ 0.642923290000000, 0.500000000000000, 0.574727250000000 ] mass: 207.200000 reduced_to: 18 - symbol: Pb # 35 coordinates: [ 0.645881150000000, 0.500000000000000, 0.081572050000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 36 coordinates: [ 0.151196560000000, 0.403186140000000, 0.069806800000000 ] mass: 207.200000 reduced_to: 20 - symbol: Pb # 37 coordinates: [ 0.848803440000000, 0.596813860000000, 0.930193200000000 ] mass: 207.200000 reduced_to: 21 - symbol: Pb # 38 coordinates: [ 0.150220790000000, 0.793383040000000, 0.075989300000000 ] mass: 207.200000 reduced_to: 22 - symbol: Pb # 39 coordinates: [ 0.354118850000000, 0.500000000000000, 0.918427950000000 ] mass: 207.200000 reduced_to: 23 - symbol: Pb # 40 coordinates: [ 0.857926830000000, 0.803062540000000, 0.428091230000000 ] mass: 207.200000 reduced_to: 24 - symbol: Pb # 41 coordinates: [ 0.857926830000000, 0.196937460000000, 0.428091230000000 ] mass: 207.200000 reduced_to: 25 - symbol: Pb # 42 coordinates: [ 0.849779210000000, 0.206616960000000, 0.924010700000000 ] mass: 207.200000 reduced_to: 26 - symbol: Pb # 43 coordinates: [ 0.849779210000000, 0.793383040000000, 0.924010700000000 ] mass: 207.200000 reduced_to: 27 - symbol: Pb # 44 coordinates: [ 0.142073170000000, 0.803062540000000, 0.571908770000000 ] mass: 207.200000 reduced_to: 28 - symbol: Cl # 45 coordinates: [ 0.516016880000000, 0.790211120000000, 0.770380560000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 46 coordinates: [ 0.516016880000000, 0.209788880000000, 0.770380560000000 ] mass: 35.453000 reduced_to: 46 - symbol: Cl # 47 coordinates: [ 0.530272290000000, 0.403699020000000, 0.774065860000000 ] mass: 35.453000 reduced_to: 47 - symbol: Cl # 48 coordinates: [ 0.483983120000000, 0.209788880000000, 0.229619440000000 ] mass: 35.453000 reduced_to: 48 - symbol: Cl # 49 coordinates: [ 0.483983120000000, 0.790211120000000, 0.229619440000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 50 coordinates: [ 0.498470630000000, 0.000000000000000, 0.253831010000000 ] mass: 35.453000 reduced_to: 50 - symbol: Cl # 51 coordinates: [ 0.501529370000000, 0.000000000000000, 0.746168990000000 ] mass: 35.453000 reduced_to: 51 - symbol: Cl # 52 coordinates: [ 0.469727710000000, 0.596300980000000, 0.225934140000000 ] mass: 35.453000 reduced_to: 52 - symbol: Cl # 53 coordinates: [ 0.469727710000000, 0.403699020000000, 0.225934140000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 54 coordinates: [ 0.530272290000000, 0.596300980000000, 0.774065860000000 ] mass: 35.453000 reduced_to: 54 - symbol: Cl # 55 coordinates: [ 0.016016880000000, 0.290211120000000, 0.770380560000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 56 coordinates: [ 0.016016880000000, 0.709788880000000, 0.770380560000000 ] mass: 35.453000 reduced_to: 46 - symbol: Cl # 57 coordinates: [ 0.030272290000000, 0.903699020000000, 0.774065860000000 ] mass: 35.453000 reduced_to: 47 - symbol: Cl # 58 coordinates: [ 0.983983120000000, 0.709788880000000, 0.229619440000000 ] mass: 35.453000 reduced_to: 48 - symbol: Cl # 59 coordinates: [ 0.983983120000000, 0.290211120000000, 0.229619440000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 60 coordinates: [ 0.998470630000000, 0.500000000000000, 0.253831010000000 ] mass: 35.453000 reduced_to: 50 - symbol: Cl # 61 coordinates: [ 0.001529370000000, 0.500000000000000, 0.746168990000000 ] mass: 35.453000 reduced_to: 51 - symbol: Cl # 62 coordinates: [ 0.969727710000000, 0.096300980000000, 0.225934140000000 ] mass: 35.453000 reduced_to: 52 - symbol: Cl # 63 coordinates: [ 0.969727710000000, 0.903699020000000, 0.225934140000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 64 coordinates: [ 0.030272290000000, 0.096300980000000, 0.774065860000000 ] mass: 35.453000 reduced_to: 54 - symbol: O # 65 coordinates: [ 0.759489930000000, 0.000000000000000, 0.124898160000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.738920590000000, 0.090957360000000, 0.809053240000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.720253230000000, 0.802479350000000, 0.594794120000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.258399180000000, 0.912627880000000, 0.571123390000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.749477580000000, 0.193659070000000, 0.130500210000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.720253230000000, 0.197520650000000, 0.594794120000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.749477580000000, 0.806340930000000, 0.130500210000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.741600820000000, 0.087372120000000, 0.428876610000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.279746770000000, 0.802479350000000, 0.405205880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.741600820000000, 0.912627880000000, 0.428876610000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.738920590000000, 0.909042640000000, 0.809053240000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.279746770000000, 0.197520650000000, 0.405205880000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.250522420000000, 0.193659070000000, 0.869499790000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.261079410000000, 0.909042640000000, 0.190946760000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.240510070000000, 0.000000000000000, 0.875101840000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.258399180000000, 0.087372120000000, 0.571123390000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.250522420000000, 0.806340930000000, 0.869499790000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.261079410000000, 0.090957360000000, 0.190946760000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.259489930000000, 0.500000000000000, 0.124898160000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 84 coordinates: [ 0.238920590000000, 0.590957360000000, 0.809053240000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 85 coordinates: [ 0.220253230000000, 0.302479350000000, 0.594794120000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 86 coordinates: [ 0.758399180000000, 0.412627880000000, 0.571123390000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 87 coordinates: [ 0.249477580000000, 0.693659070000000, 0.130500210000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 88 coordinates: [ 0.220253230000000, 0.697520650000000, 0.594794120000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 89 coordinates: [ 0.249477580000000, 0.306340930000000, 0.130500210000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 90 coordinates: [ 0.241600820000000, 0.587372120000000, 0.428876610000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 91 coordinates: [ 0.779746770000000, 0.302479350000000, 0.405205880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 92 coordinates: [ 0.241600820000000, 0.412627880000000, 0.428876610000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 93 coordinates: [ 0.238920590000000, 0.409042640000000, 0.809053240000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 94 coordinates: [ 0.779746770000000, 0.697520650000000, 0.405205880000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 95 coordinates: [ 0.750522420000000, 0.693659070000000, 0.869499790000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 96 coordinates: [ 0.761079410000000, 0.409042640000000, 0.190946760000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 97 coordinates: [ 0.740510070000000, 0.500000000000000, 0.875101840000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 98 coordinates: [ 0.758399180000000, 0.587372120000000, 0.571123390000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 99 coordinates: [ 0.750522420000000, 0.306340930000000, 0.869499790000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 100 coordinates: [ 0.761079410000000, 0.590957360000000, 0.190946760000000 ] mass: 15.999400 reduced_to: 82supercell: lattice: - [ 13.427591619999999, 0.000000000000000, 0.045797110000000 ] # a - [ 0.000000000000000, 20.095618640000001, 0.000000000000000 ] # b - [ -2.092151410000000, 0.000000000000000, 7.132755880000000 ] # c points: - symbol: Cu # 1 coordinates: [ 0.500000000000000, 0.926062200000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 1 - symbol: Cu # 2 coordinates: [ 0.500000000000000, 0.073937800000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 2 - symbol: Cu # 3 coordinates: [ 0.000000000000000, 0.426062200000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 1 - symbol: Cu # 4 coordinates: [ 0.000000000000000, 0.573937800000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 2 - symbol: As # 5 coordinates: [ 0.668717980000000, 0.884073040000000, 0.579730230000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 6 coordinates: [ 0.331282020000000, 0.884073040000000, 0.420269770000000 ] mass: 74.921600 reduced_to: 6 - symbol: As # 7 coordinates: [ 0.331282020000000, 0.115926960000000, 0.420269770000000 ] mass: 74.921600 reduced_to: 7 - symbol: As # 8 coordinates: [ 0.668717980000000, 0.115926960000000, 0.579730230000000 ] mass: 74.921600 reduced_to: 8 - symbol: As # 9 coordinates: [ 0.168717980000000, 0.384073040000000, 0.579730230000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 10 coordinates: [ 0.831282020000000, 0.384073040000000, 0.420269770000000 ] mass: 74.921600 reduced_to: 6 - symbol: As # 11 coordinates: [ 0.831282020000000, 0.615926960000000, 0.420269770000000 ] mass: 74.921600 reduced_to: 7 - symbol: As # 12 coordinates: [ 0.168717980000000, 0.615926960000000, 0.579730230000000 ] mass: 74.921600 reduced_to: 8 - symbol: Pb # 13 coordinates: [ 0.348803440000000, 0.903186140000000, 0.930193200000000 ] mass: 207.200000 reduced_to: 13 - symbol: Pb # 14 coordinates: [ 0.857076710000000, 0.000000000000000, 0.425272750000000 ] mass: 207.200000 reduced_to: 14 - symbol: Pb # 15 coordinates: [ 0.642073170000000, 0.696937460000000, 0.571908770000000 ] mass: 207.200000 reduced_to: 15 - symbol: Pb # 16 coordinates: [ 0.650220790000000, 0.706616960000000, 0.075989300000000 ] mass: 207.200000 reduced_to: 16 - symbol: Pb # 17 coordinates: [ 0.651196560000000, 0.096813860000000, 0.069806800000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 18 coordinates: [ 0.142923290000000, 0.000000000000000, 0.574727250000000 ] mass: 207.200000 reduced_to: 18 - symbol: Pb # 19 coordinates: [ 0.145881150000000, 0.000000000000000, 0.081572050000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 20 coordinates: [ 0.651196560000000, 0.903186140000000, 0.069806800000000 ] mass: 207.200000 reduced_to: 20 - symbol: Pb # 21 coordinates: [ 0.348803440000000, 0.096813860000000, 0.930193200000000 ] mass: 207.200000 reduced_to: 21 - symbol: Pb # 22 coordinates: [ 0.650220790000000, 0.293383040000000, 0.075989300000000 ] mass: 207.200000 reduced_to: 22 - symbol: Pb # 23 coordinates: [ 0.854118850000000, 0.000000000000000, 0.918427950000000 ] mass: 207.200000 reduced_to: 23 - symbol: Pb # 24 coordinates: [ 0.357926830000000, 0.303062540000000, 0.428091230000000 ] mass: 207.200000 reduced_to: 24 - symbol: Pb # 25 coordinates: [ 0.357926830000000, 0.696937460000000, 0.428091230000000 ] mass: 207.200000 reduced_to: 25 - symbol: Pb # 26 coordinates: [ 0.349779210000000, 0.706616960000000, 0.924010700000000 ] mass: 207.200000 reduced_to: 26 - symbol: Pb # 27 coordinates: [ 0.349779210000000, 0.293383040000000, 0.924010700000000 ] mass: 207.200000 reduced_to: 27 - symbol: Pb # 28 coordinates: [ 0.642073170000000, 0.303062540000000, 0.571908770000000 ] mass: 207.200000 reduced_to: 28 - symbol: Pb # 29 coordinates: [ 0.848803440000000, 0.403186140000000, 0.930193200000000 ] mass: 207.200000 reduced_to: 13 - symbol: Pb # 30 coordinates: [ 0.357076710000000, 0.500000000000000, 0.425272750000000 ] mass: 207.200000 reduced_to: 14 - symbol: Pb # 31 coordinates: [ 0.142073170000000, 0.196937460000000, 0.571908770000000 ] mass: 207.200000 reduced_to: 15 - symbol: Pb # 32 coordinates: [ 0.150220790000000, 0.206616960000000, 0.075989300000000 ] mass: 207.200000 reduced_to: 16 - symbol: Pb # 33 coordinates: [ 0.151196560000000, 0.596813860000000, 0.069806800000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 34 coordinates: [ 0.642923290000000, 0.500000000000000, 0.574727250000000 ] mass: 207.200000 reduced_to: 18 - symbol: Pb # 35 coordinates: [ 0.645881150000000, 0.500000000000000, 0.081572050000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 36 coordinates: [ 0.151196560000000, 0.403186140000000, 0.069806800000000 ] mass: 207.200000 reduced_to: 20 - symbol: Pb # 37 coordinates: [ 0.848803440000000, 0.596813860000000, 0.930193200000000 ] mass: 207.200000 reduced_to: 21 - symbol: Pb # 38 coordinates: [ 0.150220790000000, 0.793383040000000, 0.075989300000000 ] mass: 207.200000 reduced_to: 22 - symbol: Pb # 39 coordinates: [ 0.354118850000000, 0.500000000000000, 0.918427950000000 ] mass: 207.200000 reduced_to: 23 - symbol: Pb # 40 coordinates: [ 0.857926830000000, 0.803062540000000, 0.428091230000000 ] mass: 207.200000 reduced_to: 24 - symbol: Pb # 41 coordinates: [ 0.857926830000000, 0.196937460000000, 0.428091230000000 ] mass: 207.200000 reduced_to: 25 - symbol: Pb # 42 coordinates: [ 0.849779210000000, 0.206616960000000, 0.924010700000000 ] mass: 207.200000 reduced_to: 26 - symbol: Pb # 43 coordinates: [ 0.849779210000000, 0.793383040000000, 0.924010700000000 ] mass: 207.200000 reduced_to: 27 - symbol: Pb # 44 coordinates: [ 0.142073170000000, 0.803062540000000, 0.571908770000000 ] mass: 207.200000 reduced_to: 28 - symbol: Cl # 45 coordinates: [ 0.516016880000000, 0.790211120000000, 0.770380560000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 46 coordinates: [ 0.516016880000000, 0.209788880000000, 0.770380560000000 ] mass: 35.453000 reduced_to: 46 - symbol: Cl # 47 coordinates: [ 0.530272290000000, 0.403699020000000, 0.774065860000000 ] mass: 35.453000 reduced_to: 47 - symbol: Cl # 48 coordinates: [ 0.483983120000000, 0.209788880000000, 0.229619440000000 ] mass: 35.453000 reduced_to: 48 - symbol: Cl # 49 coordinates: [ 0.483983120000000, 0.790211120000000, 0.229619440000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 50 coordinates: [ 0.498470630000000, 0.000000000000000, 0.253831010000000 ] mass: 35.453000 reduced_to: 50 - symbol: Cl # 51 coordinates: [ 0.501529370000000, 0.000000000000000, 0.746168990000000 ] mass: 35.453000 reduced_to: 51 - symbol: Cl # 52 coordinates: [ 0.469727710000000, 0.596300980000000, 0.225934140000000 ] mass: 35.453000 reduced_to: 52 - symbol: Cl # 53 coordinates: [ 0.469727710000000, 0.403699020000000, 0.225934140000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 54 coordinates: [ 0.530272290000000, 0.596300980000000, 0.774065860000000 ] mass: 35.453000 reduced_to: 54 - symbol: Cl # 55 coordinates: [ 0.016016880000000, 0.290211120000000, 0.770380560000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 56 coordinates: [ 0.016016880000000, 0.709788880000000, 0.770380560000000 ] mass: 35.453000 reduced_to: 46 - symbol: Cl # 57 coordinates: [ 0.030272290000000, 0.903699020000000, 0.774065860000000 ] mass: 35.453000 reduced_to: 47 - symbol: Cl # 58 coordinates: [ 0.983983120000000, 0.709788880000000, 0.229619440000000 ] mass: 35.453000 reduced_to: 48 - symbol: Cl # 59 coordinates: [ 0.983983120000000, 0.290211120000000, 0.229619440000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 60 coordinates: [ 0.998470630000000, 0.500000000000000, 0.253831010000000 ] mass: 35.453000 reduced_to: 50 - symbol: Cl # 61 coordinates: [ 0.001529370000000, 0.500000000000000, 0.746168990000000 ] mass: 35.453000 reduced_to: 51 - symbol: Cl # 62 coordinates: [ 0.969727710000000, 0.096300980000000, 0.225934140000000 ] mass: 35.453000 reduced_to: 52 - symbol: Cl # 63 coordinates: [ 0.969727710000000, 0.903699020000000, 0.225934140000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 64 coordinates: [ 0.030272290000000, 0.096300980000000, 0.774065860000000 ] mass: 35.453000 reduced_to: 54 - symbol: O # 65 coordinates: [ 0.759489930000000, 0.000000000000000, 0.124898160000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.738920590000000, 0.090957360000000, 0.809053240000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.720253230000000, 0.802479350000000, 0.594794120000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.258399180000000, 0.912627880000000, 0.571123390000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.749477580000000, 0.193659070000000, 0.130500210000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.720253230000000, 0.197520650000000, 0.594794120000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.749477580000000, 0.806340930000000, 0.130500210000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.741600820000000, 0.087372120000000, 0.428876610000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.279746770000000, 0.802479350000000, 0.405205880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.741600820000000, 0.912627880000000, 0.428876610000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.738920590000000, 0.909042640000000, 0.809053240000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.279746770000000, 0.197520650000000, 0.405205880000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.250522420000000, 0.193659070000000, 0.869499790000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.261079410000000, 0.909042640000000, 0.190946760000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.240510070000000, 0.000000000000000, 0.875101840000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.258399180000000, 0.087372120000000, 0.571123390000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.250522420000000, 0.806340930000000, 0.869499790000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.261079410000000, 0.090957360000000, 0.190946760000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.259489930000000, 0.500000000000000, 0.124898160000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 84 coordinates: [ 0.238920590000000, 0.590957360000000, 0.809053240000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 85 coordinates: [ 0.220253230000000, 0.302479350000000, 0.594794120000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 86 coordinates: [ 0.758399180000000, 0.412627880000000, 0.571123390000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 87 coordinates: [ 0.249477580000000, 0.693659070000000, 0.130500210000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 88 coordinates: [ 0.220253230000000, 0.697520650000000, 0.594794120000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 89 coordinates: [ 0.249477580000000, 0.306340930000000, 0.130500210000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 90 coordinates: [ 0.241600820000000, 0.587372120000000, 0.428876610000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 91 coordinates: [ 0.779746770000000, 0.302479350000000, 0.405205880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 92 coordinates: [ 0.241600820000000, 0.412627880000000, 0.428876610000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 93 coordinates: [ 0.238920590000000, 0.409042640000000, 0.809053240000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 94 coordinates: [ 0.779746770000000, 0.697520650000000, 0.405205880000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 95 coordinates: [ 0.750522420000000, 0.693659070000000, 0.869499790000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 96 coordinates: [ 0.761079410000000, 0.409042640000000, 0.190946760000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 97 coordinates: [ 0.740510070000000, 0.500000000000000, 0.875101840000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 98 coordinates: [ 0.758399180000000, 0.587372120000000, 0.571123390000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 99 coordinates: [ 0.750522420000000, 0.306340930000000, 0.869499790000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 100 coordinates: [ 0.761079410000000, 0.590957360000000, 0.190946760000000 ] mass: 15.999400 reduced_to: 82displacements:- atom: 1 displacement: [ 0.0099999418370919, 0.0000000000000000, 0.0000341065210551 ] forces: - [ -0.0687343600000000, 0.0009318200000000, -0.0123744600000000 ] - [ 0.0001946400000000, 0.0000282200000000, 0.0012476000000000 ] - [ 0.0000015900000000, -0.0000175900000000, -0.0000096500000000 ] - [ -0.0000008600000000, 0.0000198000000000, 0.0000117800000000 ] - [ 0.0363959300000000, -0.0112406900000000, 0.0100294700000000 ] - [ 0.0342788600000000, 0.0100113700000000, 0.0093356500000000 ] - [ -0.0001647100000000, 0.0003683800000000, -0.0000897200000000 ] - [ 0.0002645300000000, 0.0000539800000000, 0.0000704000000000 ] - [ 0.0001952900000000, -0.0001916000000000, 0.0000763500000000 ] - [ -0.0002096400000000, -0.0002232300000000, -0.0000774400000000 ] - [ -0.0001835600000000, 0.0001707700000000, -0.0000650800000000 ] - [ 0.0002229600000000, 0.0002488000000000, 0.0000880100000000 ] - [ -0.0000428700000000, -0.0001179100000000, -0.0003497100000000 ] - [ 0.0000158000000000, -0.0001293300000000, 0.0000231400000000 ] - [ -0.0002182400000000, -0.0003268000000000, 0.0000794200000000 ] - [ 0.0000638400000000, 0.0000543600000000, -0.0001020800000000 ] - [ -0.0001050700000000, -0.0000779100000000, -0.0004394100000000 ] - [ -0.0000878000000000, 0.0000928700000000, 0.0001029500000000 ] - [ -0.0000819300000000, -0.0001148100000000, 0.0000569600000000 ] - [ -0.0001641700000000, -0.0000373000000000, -0.0003502400000000 ] - [ 0.0000186700000000, 0.0002163300000000, -0.0004338800000000 ] - [ 0.0000827200000000, -0.0000638600000000, -0.0000018800000000 ] - [ -0.0000419200000000, 0.0000850300000000, -0.0001600700000000 ] - [ -0.0000012100000000, 0.0000036000000000, -0.0000425500000000 ] - [ -0.0002519800000000, 0.0003572000000000, -0.0000161400000000 ] - [ -0.0000435800000000, -0.0000020300000000, -0.0000871100000000 ] - [ -0.0000157300000000, 0.0000162500000000, 0.0000167200000000 ] - [ 0.0000253700000000, -0.0000180300000000, 0.0000533900000000 ] - [ 0.0000747100000000, -0.0000714400000000, 0.0000060500000000 ] - [ 0.0000428400000000, 0.0000206400000000, -0.0000463400000000 ] - [ -0.0000156700000000, 0.0000262300000000, -0.0000083000000000 ] - [ -0.0000084000000000, 0.0000613200000000, 0.0000167900000000 ] - [ -0.0000557400000000, 0.0001109200000000, -0.0000083700000000 ] - [ -0.0000601700000000, -0.0000178300000000, 0.0000440900000000 ] - [ -0.0000250100000000, -0.0000109300000000, 0.0001002700000000 ] - [ -0.0000822400000000, -0.0000468800000000, -0.0000096200000000 ] - [ 0.0001015400000000, 0.0000155800000000, 0.0000073100000000 ] - [ 0.0000779600000000, -0.0001624000000000, 0.0001831200000000 ] - [ 0.0000097500000000, 0.0000135600000000, -0.0001088400000000 ] - [ 0.0001417100000000, 0.0003305700000000, -0.0001833800000000 ] - [ -0.0000337900000000, -0.0000111100000000, -0.0000998400000000 ] - [ -0.0000994000000000, -0.0000101200000000, 0.0000356200000000 ] - [ -0.0000178400000000, 0.0001196800000000, 0.0001911500000000 ] - [ 0.0001723700000000, -0.0003326500000000, -0.0000987600000000 ] - [ -0.0003143400000000, -0.0004656700000000, 0.0002086000000000 ] - [ 0.0000250100000000, 0.0000693300000000, 0.0000283700000000 ] - [ 0.0000498300000000, 0.0000970100000000, 0.0000145100000000 ] - [ -0.0000697400000000, 0.0001246300000000, -0.0000587000000000 ] - [ -0.0004084400000000, 0.0002866700000000, 0.0001402300000000 ] - [ -0.0005566000000000, 0.0019264500000000, -0.0031692300000000 ] - [ -0.0006025500000000, -0.0019718800000000, -0.0031805800000000 ] - [ -0.0000131000000000, -0.0001051100000000, -0.0000234800000000 ] - [ -0.0000510300000000, 0.0000841200000000, -0.0000192600000000 ] - [ 0.0000866300000000, -0.0000859000000000, 0.0000113000000000 ] - [ 0.0000690600000000, -0.0001068200000000, 0.0000488200000000 ] - [ 0.0000221600000000, 0.0000244200000000, 0.0000283200000000 ] - [ 0.0000995000000000, 0.0001337800000000, 0.0000249500000000 ] - [ -0.0000692200000000, 0.0001703000000000, -0.0000614500000000 ] - [ -0.0000262900000000, -0.0000989800000000, -0.0000384800000000 ] - [ 0.0000547000000000, -0.0000082600000000, -0.0000564300000000 ] - [ -0.0000635200000000, -0.0000065200000000, 0.0000500500000000 ] - [ -0.0000178500000000, -0.0000441400000000, -0.0000322100000000 ] - [ -0.0000020100000000, 0.0000567500000000, -0.0000086700000000 ] - [ 0.0000833700000000, -0.0001341500000000, 0.0000027100000000 ] - [ 0.0000270000000000, -0.0000900400000000, 0.0000091100000000 ] - [ -0.0000923700000000, 0.0001279100000000, -0.0001268400000000 ] - [ -0.0019528000000000, 0.0016306100000000, -0.0004996400000000 ] - [ 0.0015006100000000, 0.0012804000000000, 0.0005107200000000 ] - [ 0.0001331800000000, 0.0001096500000000, 0.0001144600000000 ] - [ -0.0001457100000000, -0.0001658300000000, -0.0000829100000000 ] - [ 0.0000898800000000, -0.0000926200000000, 0.0000931800000000 ] - [ -0.0001787100000000, -0.0000526100000000, 0.0000578600000000 ] - [ -0.0017246500000000, -0.0013436700000000, -0.0003432500000000 ] - [ 0.0014241000000000, -0.0012553300000000, 0.0003726900000000 ] - [ 0.0002918500000000, -0.0014260400000000, -0.0004131800000000 ] - [ 0.0001218900000000, -0.0001643500000000, 0.0000849400000000 ] - [ 0.0000964100000000, -0.0001803400000000, -0.0001389100000000 ] - [ 0.0004253000000000, 0.0013902700000000, -0.0002848200000000 ] - [ 0.0000548000000000, 0.0001022100000000, 0.0000743700000000 ] - [ 0.0000998700000000, 0.0000392500000000, 0.0001520400000000 ] - [ 0.0000567000000000, 0.0001485800000000, -0.0001569100000000 ] - [ 0.0001298500000000, -0.0000783100000000, 0.0001182400000000 ] - [ 0.0000009600000000, -0.0000137600000000, -0.0000322400000000 ] - [ -0.0000959000000000, -0.0000057300000000, -0.0001207800000000 ] - [ -0.0001278600000000, 0.0001351400000000, -0.0000779200000000 ] - [ 0.0001285300000000, 0.0000158500000000, 0.0000443100000000 ] - [ -0.0000398200000000, -0.0000694900000000, 0.0000746200000000 ] - [ -0.0002025600000000, -0.0002070600000000, -0.0000523900000000 ] - [ 0.0000234700000000, 0.0000031600000000, 0.0001148100000000 ] - [ -0.0001455200000000, -0.0000358600000000, -0.0000381000000000 ] - [ 0.0001316100000000, 0.0001810400000000, 0.0000868200000000 ] - [ -0.0001307200000000, 0.0000002000000000, -0.0000449200000000 ] - [ -0.0001007900000000, -0.0000300800000000, -0.0001193000000000 ] - [ 0.0000539400000000, -0.0001251300000000, 0.0001081300000000 ] - [ -0.0000934100000000, 0.0000082500000000, -0.0001786700000000 ] - [ 0.0001045600000000, -0.0000188600000000, 0.0001175000000000 ] - [ 0.0000139800000000, 0.0000064400000000, 0.0000284600000000 ] - [ 0.0001121700000000, 0.0000080800000000, 0.0000527700000000 ] - [ -0.0000271800000000, 0.0000446300000000, -0.0001416600000000 ] - [ 0.0001065800000000, 0.0000445800000000, 0.0001146500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0332086900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0031214400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001449000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001734800000000, 0.0000000000000000 ] - [ -0.0194801000000000, 0.0081585900000000, -0.0052083400000000 ] - [ 0.0194801000000000, 0.0081585900000000, 0.0052083400000000 ] - [ -0.0021839300000000, 0.0005599800000000, -0.0006223200000000 ] - [ 0.0021839300000000, 0.0005599800000000, 0.0006223200000000 ] - [ 0.0000933700000000, 0.0002465900000000, 0.0000451200000000 ] - [ -0.0000933700000000, 0.0002465900000000, -0.0000451200000000 ] - [ -0.0002768200000000, 0.0005779900000000, -0.0001029200000000 ] - [ 0.0002768200000000, 0.0005779900000000, 0.0001029200000000 ] - [ -0.0013651800000000, -0.0024369200000000, -0.0002762700000000 ] - [ 0.0001933900000000, -0.0016925800000000, 0.0002328700000000 ] - [ -0.0003038000000000, 0.0007760700000000, 0.0000003400000000 ] - [ -0.0004202500000000, 0.0004780400000000, -0.0002380400000000 ] - [ 0.0018396900000000, 0.0010104200000000, 0.0005877000000000 ] - [ -0.0001933900000000, -0.0016925800000000, -0.0002328700000000 ] - [ -0.0002995600000000, -0.0016844400000000, 0.0002325000000000 ] - [ 0.0013651800000000, -0.0024369200000000, 0.0002762700000000 ] - [ -0.0018396900000000, 0.0010104200000000, -0.0005877000000000 ] - [ 0.0001521000000000, 0.0005847000000000, 0.0000075700000000 ] - [ 0.0002995600000000, -0.0016844400000000, -0.0002325000000000 ] - [ -0.0000396700000000, 0.0006398900000000, -0.0000733000000000 ] - [ 0.0003038000000000, 0.0007760700000000, -0.0000003400000000 ] - [ 0.0004202500000000, 0.0004780400000000, 0.0002380400000000 ] - [ -0.0001521000000000, 0.0005847000000000, -0.0000075700000000 ] - [ 0.0000396700000000, 0.0006398900000000, 0.0000733000000000 ] - [ 0.0001162700000000, 0.0005315600000000, 0.0000140700000000 ] - [ 0.0000685400000000, 0.0005841500000000, -0.0000495200000000 ] - [ -0.0004308600000000, 0.0000564000000000, -0.0000548300000000 ] - [ -0.0003420600000000, 0.0001566000000000, -0.0001304000000000 ] - [ -0.0000431500000000, 0.0006374400000000, -0.0000067300000000 ] - [ -0.0000685400000000, 0.0005841500000000, 0.0000495200000000 ] - [ -0.0000370700000000, 0.0006011800000000, 0.0000927300000000 ] - [ -0.0001162700000000, 0.0005315600000000, -0.0000140700000000 ] - [ 0.0000431500000000, 0.0006374400000000, 0.0000067300000000 ] - [ 0.0001526200000000, 0.0002155800000000, 0.0002892200000000 ] - [ 0.0000370700000000, 0.0006011800000000, -0.0000927300000000 ] - [ -0.0001911200000000, 0.0002597100000000, 0.0001626200000000 ] - [ 0.0004308600000000, 0.0000564000000000, 0.0000548300000000 ] - [ 0.0003420600000000, 0.0001566000000000, 0.0001304000000000 ] - [ -0.0001526200000000, 0.0002155800000000, -0.0002892200000000 ] - [ 0.0001911200000000, 0.0002597100000000, -0.0001626200000000 ] - [ 0.0003760100000000, 0.0000454200000000, -0.0002665000000000 ] - [ 0.0000262100000000, -0.0003341700000000, -0.0000472900000000 ] - [ 0.0000383300000000, -0.0002739500000000, -0.0000007100000000 ] - [ -0.0000262100000000, -0.0003341700000000, 0.0000472900000000 ] - [ -0.0003760100000000, 0.0000454200000000, 0.0002665000000000 ] - [ 0.0038322300000000, 0.0084123700000000, -0.0132803100000000 ] - [ -0.0038322300000000, 0.0084123700000000, 0.0132803100000000 ] - [ -0.0000648400000000, -0.0004850500000000, -0.0000716800000000 ] - [ -0.0000383300000000, -0.0002739500000000, 0.0000007100000000 ] - [ 0.0000648400000000, -0.0004850500000000, 0.0000716800000000 ] - [ 0.0000904600000000, -0.0003444300000000, 0.0000601000000000 ] - [ 0.0000341800000000, -0.0001436100000000, 0.0000176100000000 ] - [ 0.0000872300000000, 0.0005069400000000, 0.0000262700000000 ] - [ -0.0000341800000000, -0.0001436100000000, -0.0000176100000000 ] - [ -0.0000904600000000, -0.0003444300000000, -0.0000601000000000 ] - [ 0.0000526000000000, -0.0002761500000000, -0.0000341000000000 ] - [ -0.0000526000000000, -0.0002761500000000, 0.0000341000000000 ] - [ -0.0000464500000000, 0.0004377800000000, -0.0000127700000000 ] - [ -0.0000872300000000, 0.0005069400000000, -0.0000262700000000 ] - [ 0.0000464500000000, 0.0004377800000000, 0.0000127700000000 ] - [ -0.0005402400000000, 0.0012215500000000, -0.0002224900000000 ] - [ -0.0012869700000000, 0.0004683100000000, -0.0007036400000000 ] - [ 0.0008959300000000, -0.0018102900000000, 0.0000884100000000 ] - [ -0.0043920500000000, 0.0008207800000000, 0.0022295300000000 ] - [ -0.0006124500000000, -0.0010244800000000, -0.0000755100000000 ] - [ -0.0009800800000000, -0.0010946900000000, -0.0002989300000000 ] - [ -0.0004479900000000, 0.0005887200000000, -0.0000318500000000 ] - [ -0.0015073900000000, 0.0005079800000000, -0.0001482300000000 ] - [ -0.0008959300000000, -0.0018102900000000, -0.0000884100000000 ] - [ 0.0043920500000000, 0.0008207800000000, -0.0022295300000000 ] - [ 0.0021608100000000, 0.0006879500000000, 0.0041936300000000 ] - [ 0.0009800800000000, -0.0010946900000000, 0.0002989300000000 ] - [ 0.0006124500000000, -0.0010244800000000, 0.0000755100000000 ] - [ -0.0021608100000000, 0.0006879500000000, -0.0041936300000000 ] - [ 0.0005402400000000, 0.0012215500000000, 0.0002224900000000 ] - [ 0.0015073900000000, 0.0005079800000000, 0.0001482300000000 ] - [ 0.0004479900000000, 0.0005887200000000, 0.0000318500000000 ] - [ 0.0012869700000000, 0.0004683100000000, 0.0007036400000000 ] - [ -0.0000106400000000, -0.0004031300000000, -0.0000279500000000 ] - [ -0.0000642800000000, -0.0003677100000000, -0.0000293700000000 ] - [ 0.0000644500000000, -0.0002599400000000, 0.0000092300000000 ] - [ 0.0002058000000000, -0.0003561500000000, 0.0000017500000000 ] - [ -0.0002321300000000, -0.0002898300000000, 0.0000052100000000 ] - [ -0.0003586400000000, -0.0005020600000000, -0.0000919600000000 ] - [ 0.0002297400000000, -0.0003173900000000, 0.0001264800000000 ] - [ -0.0000576200000000, -0.0003957100000000, -0.0001081100000000 ] - [ -0.0000644500000000, -0.0002599400000000, -0.0000092300000000 ] - [ -0.0002058000000000, -0.0003561500000000, -0.0000017500000000 ] - [ -0.0001372200000000, -0.0003955800000000, -0.0001871600000000 ] - [ 0.0003586400000000, -0.0005020600000000, 0.0000919600000000 ] - [ 0.0002321300000000, -0.0002898300000000, -0.0000052100000000 ] - [ 0.0001372200000000, -0.0003955800000000, 0.0001871600000000 ] - [ 0.0000106400000000, -0.0004031300000000, 0.0000279500000000 ] - [ 0.0000576200000000, -0.0003957100000000, 0.0001081100000000 ] - [ -0.0002297400000000, -0.0003173900000000, -0.0001264800000000 ] - [ 0.0000642800000000, -0.0003677100000000, 0.0000293700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0333037200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0030403400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001733700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001444900000000, 0.0000000000000000 ] - [ 0.0202075500000000, -0.0086692000000000, 0.0054436600000000 ] - [ -0.0202075500000000, -0.0086692000000000, -0.0054436600000000 ] - [ 0.0018023200000000, -0.0001737900000000, 0.0004755500000000 ] - [ -0.0018023200000000, -0.0001737900000000, -0.0004755500000000 ] - [ 0.0002905700000000, -0.0006505300000000, 0.0001025100000000 ] - [ -0.0002905700000000, -0.0006505300000000, -0.0001025100000000 ] - [ -0.0001128600000000, -0.0001867400000000, -0.0000448500000000 ] - [ 0.0001128600000000, -0.0001867400000000, 0.0000448500000000 ] - [ 0.0015358000000000, 0.0023481600000000, 0.0002963200000000 ] - [ -0.0000767800000000, 0.0017021200000000, -0.0003324700000000 ] - [ 0.0003377500000000, -0.0007613200000000, 0.0000979600000000 ] - [ 0.0005394700000000, -0.0004379800000000, 0.0002247400000000 ] - [ -0.0020216000000000, -0.0009049700000000, -0.0006134800000000 ] - [ 0.0000767800000000, 0.0017021200000000, 0.0003324700000000 ] - [ 0.0002579100000000, 0.0016942800000000, -0.0000368500000000 ] - [ -0.0015358000000000, 0.0023481600000000, -0.0002963200000000 ] - [ 0.0020216000000000, -0.0009049700000000, 0.0006134800000000 ] - [ -0.0000636000000000, -0.0006545400000000, -0.0000363700000000 ] - [ -0.0002579100000000, 0.0016942800000000, 0.0000368500000000 ] - [ 0.0000318400000000, -0.0006737500000000, -0.0000253000000000 ] - [ -0.0003377500000000, -0.0007613200000000, -0.0000979600000000 ] - [ -0.0005394700000000, -0.0004379800000000, -0.0002247400000000 ] - [ 0.0000636000000000, -0.0006545400000000, 0.0000363700000000 ] - [ -0.0000318400000000, -0.0006737500000000, 0.0000253000000000 ] - [ 0.0000448800000000, -0.0006629800000000, 0.0000048600000000 ] - [ 0.0000478500000000, -0.0005931000000000, -0.0000474800000000 ] - [ 0.0004443100000000, -0.0000445400000000, 0.0001550200000000 ] - [ 0.0004377300000000, -0.0001091800000000, 0.0001032300000000 ] - [ -0.0001160500000000, -0.0005253800000000, -0.0000121700000000 ] - [ -0.0000478500000000, -0.0005931000000000, 0.0000474800000000 ] - [ -0.0000075500000000, -0.0006102700000000, 0.0001046600000000 ] - [ -0.0000448800000000, -0.0006629800000000, -0.0000048600000000 ] - [ 0.0001160500000000, -0.0005253800000000, 0.0000121700000000 ] - [ -0.0000655200000000, -0.0002766300000000, -0.0003137000000000 ] - [ 0.0000075500000000, -0.0006102700000000, -0.0001046600000000 ] - [ 0.0001811500000000, -0.0002916900000000, -0.0002551300000000 ] - [ -0.0004443100000000, -0.0000445400000000, -0.0001550200000000 ] - [ -0.0004377300000000, -0.0001091800000000, -0.0001032300000000 ] - [ 0.0000655200000000, -0.0002766300000000, 0.0003137000000000 ] - [ -0.0001811500000000, -0.0002916900000000, 0.0002551300000000 ] - [ -0.0002815800000000, -0.0002125200000000, 0.0003267900000000 ] - [ 0.0000749700000000, 0.0005392800000000, 0.0001325500000000 ] - [ 0.0000704000000000, 0.0004631100000000, 0.0000351000000000 ] - [ -0.0000749700000000, 0.0005392800000000, -0.0001325500000000 ] - [ 0.0002815800000000, -0.0002125200000000, -0.0003267900000000 ] - [ -0.0035594900000000, -0.0081745300000000, 0.0126182700000000 ] - [ 0.0035594900000000, -0.0081745300000000, -0.0126182700000000 ] - [ -0.0000422100000000, 0.0002956800000000, 0.0000371600000000 ] - [ -0.0000704000000000, 0.0004631100000000, -0.0000351000000000 ] - [ 0.0000422100000000, 0.0002956800000000, -0.0000371600000000 ] - [ 0.0000095500000000, 0.0001405900000000, 0.0000249300000000 ] - [ 0.0000663800000000, 0.0003393900000000, 0.0000661000000000 ] - [ 0.0000224500000000, -0.0003246000000000, 0.0000091800000000 ] - [ -0.0000663800000000, 0.0003393900000000, -0.0000661000000000 ] - [ -0.0000095500000000, 0.0001405900000000, -0.0000249300000000 ] - [ 0.0000599300000000, 0.0002680300000000, -0.0000520400000000 ] - [ -0.0000599300000000, 0.0002680300000000, 0.0000520400000000 ] - [ -0.0000628500000000, -0.0006346600000000, -0.0000221900000000 ] - [ -0.0000224500000000, -0.0003246000000000, -0.0000091800000000 ] - [ 0.0000628500000000, -0.0006346600000000, 0.0000221900000000 ] - [ 0.0005350700000000, -0.0012377800000000, 0.0001650400000000 ] - [ 0.0010986700000000, -0.0004355900000000, 0.0004869300000000 ] - [ -0.0010811400000000, 0.0020560000000000, -0.0002334100000000 ] - [ 0.0046628100000000, -0.0007797300000000, -0.0021382500000000 ] - [ 0.0006716500000000, 0.0009816300000000, 0.0003351700000000 ] - [ 0.0007247800000000, 0.0007732500000000, 0.0001360700000000 ] - [ 0.0004984600000000, -0.0005573200000000, 0.0002877500000000 ] - [ 0.0012754100000000, -0.0005429200000000, 0.0000496200000000 ] - [ 0.0010811400000000, 0.0020560000000000, 0.0002334100000000 ] - [ -0.0046628100000000, -0.0007797300000000, 0.0021382500000000 ] - [ -0.0023759500000000, -0.0007120100000000, -0.0044320600000000 ] - [ -0.0007247800000000, 0.0007732500000000, -0.0001360700000000 ] - [ -0.0006716500000000, 0.0009816300000000, -0.0003351700000000 ] - [ 0.0023759500000000, -0.0007120100000000, 0.0044320600000000 ] - [ -0.0005350700000000, -0.0012377800000000, -0.0001650400000000 ] - [ -0.0012754100000000, -0.0005429200000000, -0.0000496200000000 ] - [ -0.0004984600000000, -0.0005573200000000, -0.0002877500000000 ] - [ -0.0010986700000000, -0.0004355900000000, -0.0004869300000000 ] - [ 0.0000028200000000, 0.0004030700000000, -0.0000307400000000 ] - [ -0.0001308300000000, 0.0004081600000000, -0.0001881000000000 ] - [ -0.0003203700000000, 0.0005721300000000, -0.0001745800000000 ] - [ 0.0000311200000000, 0.0003846800000000, 0.0001051700000000 ] - [ 0.0002937800000000, 0.0002326800000000, 0.0002489200000000 ] - [ 0.0001058900000000, 0.0001686500000000, -0.0000646000000000 ] - [ -0.0001813300000000, 0.0003681400000000, 0.0001314800000000 ] - [ -0.0001834000000000, 0.0003681400000000, 0.0000079200000000 ] - [ 0.0003203700000000, 0.0005721300000000, 0.0001745800000000 ] - [ -0.0000311200000000, 0.0003846800000000, -0.0001051700000000 ] - [ -0.0000577200000000, 0.0003582900000000, -0.0000206900000000 ] - [ -0.0001058900000000, 0.0001686500000000, 0.0000646000000000 ] - [ -0.0002937800000000, 0.0002326800000000, -0.0002489200000000 ] - [ 0.0000577200000000, 0.0003582900000000, 0.0000206900000000 ] - [ -0.0000028200000000, 0.0004030700000000, 0.0000307400000000 ] - [ 0.0001834000000000, 0.0003681400000000, -0.0000079200000000 ] - [ 0.0001813300000000, 0.0003681400000000, -0.0001314800000000 ] - [ 0.0001308300000000, 0.0004081600000000, 0.0001881000000000 ]- atom: 1 displacement: [ -0.0028145825136884, 0.0000000000000000, 0.0095957347438140 ] forces: - [ 0.0075406700000000, -0.0005897300000000, -0.0246450300000000 ] - [ 0.0011475400000000, 0.0000146200000000, -0.0042370700000000 ] - [ 0.0000010300000000, -0.0000228700000000, -0.0000079300000000 ] - [ 0.0000013400000000, 0.0000314400000000, 0.0000075800000000 ] - [ -0.0006886100000000, 0.0003590000000000, 0.0007322200000000 ] - [ -0.0009301400000000, -0.0007386200000000, 0.0006268500000000 ] - [ -0.0001949200000000, 0.0001787900000000, -0.0000175900000000 ] - [ 0.0001379000000000, 0.0001836900000000, 0.0001138200000000 ] - [ 0.0001838900000000, -0.0001913900000000, 0.0000762700000000 ] - [ -0.0001761600000000, -0.0001870800000000, -0.0000650000000000 ] - [ -0.0001094400000000, 0.0000930800000000, -0.0000395200000000 ] - [ 0.0001951300000000, 0.0002553200000000, 0.0000851200000000 ] - [ -0.0000370500000000, 0.0000358700000000, 0.0014688400000000 ] - [ 0.0000095100000000, 0.0004322100000000, -0.0001456500000000 ] - [ 0.0001323700000000, -0.0000805700000000, -0.0001931100000000 ] - [ 0.0000961000000000, -0.0000925800000000, 0.0003978200000000 ] - [ -0.0003304400000000, 0.0002439500000000, 0.0016308100000000 ] - [ -0.0000918300000000, -0.0004286000000000, -0.0000572800000000 ] - [ 0.0001340000000000, 0.0004732700000000, 0.0000346900000000 ] - [ -0.0001853900000000, -0.0001270200000000, 0.0014594500000000 ] - [ -0.0001654900000000, -0.0001461900000000, 0.0016492000000000 ] - [ 0.0000179100000000, 0.0000022700000000, -0.0000121600000000 ] - [ 0.0001651300000000, -0.0004684500000000, -0.0001775300000000 ] - [ -0.0000162000000000, -0.0000150700000000, -0.0000625900000000 ] - [ 0.0001043400000000, 0.0000859900000000, -0.0002935300000000 ] - [ -0.0000267600000000, 0.0001310300000000, 0.0004148000000000 ] - [ -0.0000826200000000, -0.0000587900000000, 0.0000127900000000 ] - [ -0.0000016600000000, -0.0000026500000000, 0.0000350900000000 ] - [ 0.0000838800000000, -0.0000568700000000, 0.0000088300000000 ] - [ 0.0000360300000000, 0.0000132900000000, -0.0000502400000000 ] - [ 0.0000023700000000, 0.0000187500000000, 0.0000793500000000 ] - [ 0.0001030200000000, -0.0000151400000000, -0.0000318100000000 ] - [ -0.0000567500000000, 0.0000490200000000, -0.0000135200000000 ] - [ -0.0000621600000000, -0.0000189500000000, 0.0000364700000000 ] - [ -0.0000330700000000, -0.0000301700000000, 0.0001037300000000 ] - [ -0.0000658900000000, -0.0000599800000000, -0.0000060400000000 ] - [ 0.0000948200000000, 0.0000539700000000, 0.0000013300000000 ] - [ 0.0001156300000000, -0.0002772100000000, -0.0000549100000000 ] - [ -0.0000034700000000, 0.0000237000000000, -0.0001108700000000 ] - [ 0.0000245000000000, -0.0002336600000000, -0.0000472100000000 ] - [ -0.0000140400000000, -0.0000136500000000, -0.0000209200000000 ] - [ -0.0000008200000000, 0.0000586800000000, -0.0000057700000000 ] - [ 0.0000203000000000, 0.0002310700000000, -0.0000306200000000 ] - [ 0.0000364400000000, 0.0002276200000000, 0.0000476400000000 ] - [ -0.0000997300000000, 0.0005965200000000, -0.0005854600000000 ] - [ 0.0000472000000000, 0.0002440200000000, 0.0000552000000000 ] - [ 0.0000617300000000, 0.0000917000000000, 0.0000214000000000 ] - [ -0.0000575800000000, -0.0000367800000000, -0.0000281800000000 ] - [ -0.0002019700000000, -0.0007591600000000, -0.0006391600000000 ] - [ -0.0026627200000000, -0.0061703200000000, 0.0092949500000000 ] - [ -0.0029574100000000, 0.0068022700000000, 0.0100407400000000 ] - [ -0.0000462200000000, -0.0001072600000000, -0.0000210500000000 ] - [ -0.0000476600000000, 0.0000982300000000, -0.0000151400000000 ] - [ 0.0000623200000000, -0.0000780700000000, 0.0000150200000000 ] - [ 0.0000335200000000, -0.0001006900000000, 0.0000342300000000 ] - [ 0.0000312200000000, 0.0001009600000000, 0.0000645500000000 ] - [ 0.0000371300000000, 0.0000895600000000, 0.0000468900000000 ] - [ -0.0000725000000000, 0.0001055700000000, -0.0000219400000000 ] - [ -0.0000702800000000, -0.0001024300000000, -0.0000481700000000 ] - [ 0.0000431700000000, 0.0000058300000000, -0.0000366900000000 ] - [ -0.0000626700000000, 0.0000061500000000, 0.0000299100000000 ] - [ -0.0001000700000000, -0.0001139000000000, 0.0000652300000000 ] - [ -0.0000732500000000, 0.0000921700000000, 0.0000106000000000 ] - [ 0.0000097000000000, -0.0000783800000000, 0.0001018500000000 ] - [ -0.0000451700000000, -0.0000081300000000, -0.0001473400000000 ] - [ -0.0000933300000000, -0.0002980600000000, -0.0003238100000000 ] - [ -0.0000927800000000, 0.0000813300000000, -0.0001186000000000 ] - [ -0.0029300200000000, 0.0003060900000000, -0.0001112100000000 ] - [ -0.0001191700000000, -0.0001635500000000, 0.0002754200000000 ] - [ -0.0001178300000000, -0.0001635500000000, -0.0000798900000000 ] - [ -0.0001322700000000, 0.0000609800000000, 0.0003246200000000 ] - [ 0.0000233200000000, 0.0002937500000000, -0.0002778600000000 ] - [ 0.0001393000000000, 0.0002100300000000, 0.0000364000000000 ] - [ -0.0031539600000000, -0.0002819200000000, -0.0001992900000000 ] - [ 0.0027592500000000, 0.0001780900000000, 0.0018579600000000 ] - [ 0.0001326600000000, -0.0001694200000000, 0.0000787400000000 ] - [ -0.0001767500000000, 0.0001274100000000, 0.0000181500000000 ] - [ 0.0029374100000000, -0.0002188700000000, 0.0020756400000000 ] - [ -0.0000340600000000, -0.0000039700000000, -0.0000879000000000 ] - [ 0.0002656600000000, -0.0003144100000000, -0.0001892900000000 ] - [ -0.0001794300000000, -0.0000264700000000, 0.0000704400000000 ] - [ 0.0000975600000000, 0.0003411400000000, -0.0000962500000000 ] - [ -0.0000053600000000, -0.0000043500000000, -0.0000269100000000 ] - [ -0.0001339000000000, -0.0000412500000000, -0.0001070300000000 ] - [ -0.0001333800000000, 0.0001755000000000, -0.0000818900000000 ] - [ 0.0001233700000000, 0.0000122800000000, 0.0000475600000000 ] - [ 0.0000202400000000, -0.0000409300000000, 0.0001150600000000 ] - [ -0.0001986200000000, -0.0002107400000000, -0.0001510000000000 ] - [ 0.0000255600000000, 0.0000375800000000, 0.0001448800000000 ] - [ -0.0001152700000000, -0.0000410300000000, -0.0000725800000000 ] - [ 0.0001294600000000, 0.0001699700000000, 0.0000809800000000 ] - [ -0.0001326600000000, 0.0000046400000000, -0.0000435500000000 ] - [ -0.0001065000000000, -0.0000280200000000, -0.0001212100000000 ] - [ 0.0000443300000000, -0.0001183800000000, 0.0000014900000000 ] - [ -0.0000403800000000, -0.0000059600000000, -0.0001385500000000 ] - [ 0.0000952800000000, -0.0000179400000000, 0.0001079100000000 ] - [ 0.0000050100000000, 0.0000062300000000, 0.0000325500000000 ] - [ 0.0001261200000000, 0.0000245100000000, 0.0000193200000000 ] - [ -0.0000247700000000, 0.0000077300000000, -0.0001112600000000 ] - [ 0.0000562500000000, 0.0000923100000000, 0.0001167300000000 ]- atom: 5 displacement: [ 0.0099999418370919, 0.0000000000000000, 0.0000341065210551 ] forces: - [ 0.0346488900000000, -0.0194795900000000, 0.0092764000000000 ] - [ 0.0000462700000000, -0.0019762700000000, -0.0000092700000000 ] - [ -0.0000031200000000, -0.0001039900000000, -0.0000022700000000 ] - [ 0.0000176500000000, -0.0000728300000000, 0.0000574700000000 ] - [ -0.2780231300000000, 0.0321966800000000, -0.0072958100000000 ] - [ 0.0147990100000000, 0.0042479500000000, 0.0043980100000000 ] - [ 0.0007326000000000, -0.0009802700000000, 0.0001593600000000 ] - [ -0.0027725100000000, 0.0007130700000000, 0.0004404600000000 ] - [ 0.0003747000000000, -0.0004721800000000, 0.0000972500000000 ] - [ -0.0001480900000000, -0.0004174500000000, -0.0000927700000000 ] - [ 0.0005789500000000, -0.0008516100000000, -0.0003930200000000 ] - [ 0.0009707700000000, 0.0006718100000000, 0.0003625300000000 ] - [ 0.0012766600000000, 0.0005728300000000, 0.0004103100000000 ] - [ 0.0122055500000000, 0.0119978900000000, -0.0026305000000000 ] - [ -0.0043121100000000, -0.0037584400000000, 0.0005588300000000 ] - [ -0.0035044100000000, -0.0002885500000000, -0.0017959700000000 ] - [ -0.0031579500000000, 0.0007379300000000, -0.0014688000000000 ] - [ 0.0028124700000000, -0.0005322700000000, 0.0006667100000000 ] - [ 0.0022678600000000, -0.0004799500000000, 0.0010120200000000 ] - [ -0.0054862000000000, -0.0008368700000000, -0.0131771700000000 ] - [ 0.0016941600000000, -0.0017466500000000, 0.0004837400000000 ] - [ -0.0001823400000000, -0.0003458800000000, -0.0000724700000000 ] - [ 0.0035726700000000, 0.0029564100000000, 0.0026938500000000 ] - [ -0.0000490900000000, -0.0004903800000000, -0.0000563200000000 ] - [ -0.0001022100000000, 0.0024369700000000, 0.0000030600000000 ] - [ 0.0017074600000000, 0.0015445800000000, 0.0003049700000000 ] - [ -0.0000734800000000, -0.0005776000000000, -0.0000051000000000 ] - [ -0.0002221500000000, -0.0002177000000000, -0.0000053900000000 ] - [ 0.0001352400000000, -0.0004440200000000, 0.0000388300000000 ] - [ -0.0001294200000000, -0.0000047700000000, -0.0000781100000000 ] - [ 0.0005827700000000, -0.0002255500000000, 0.0003583500000000 ] - [ 0.0007054400000000, -0.0002008100000000, 0.0000147500000000 ] - [ 0.0006544500000000, 0.0002976500000000, 0.0001837200000000 ] - [ -0.0003219800000000, -0.0008044600000000, 0.0000107800000000 ] - [ -0.0001855700000000, -0.0004785100000000, 0.0001124600000000 ] - [ 0.0000418900000000, -0.0003441000000000, 0.0000260700000000 ] - [ 0.0003903000000000, -0.0009420400000000, 0.0002201100000000 ] - [ 0.0023827100000000, 0.0007025700000000, 0.0013983500000000 ] - [ -0.0002746200000000, -0.0000223600000000, -0.0001846800000000 ] - [ 0.0146695900000000, -0.0145610600000000, -0.0050300100000000 ] - [ 0.0000194800000000, 0.0008061900000000, -0.0001163200000000 ] - [ -0.0001906000000000, 0.0003246500000000, -0.0000113600000000 ] - [ 0.0040556400000000, -0.0057477200000000, 0.0071653500000000 ] - [ 0.0030134400000000, 0.0005193800000000, 0.0001616700000000 ] - [ 0.0004626100000000, -0.0016948000000000, 0.0016194900000000 ] - [ 0.0002773400000000, 0.0003703400000000, 0.0002019300000000 ] - [ 0.0001910600000000, 0.0003351800000000, 0.0000260700000000 ] - [ 0.0001225700000000, 0.0005034900000000, -0.0000474300000000 ] - [ 0.0004995100000000, -0.0020907000000000, -0.0009572400000000 ] - [ 0.0020618300000000, 0.0019546100000000, -0.0027133000000000 ] - [ 0.0008835900000000, 0.0003842200000000, 0.0027349500000000 ] - [ 0.0005562000000000, -0.0001883900000000, 0.0003728500000000 ] - [ 0.0000340400000000, 0.0002825100000000, 0.0000117000000000 ] - [ 0.0009877900000000, 0.0005561800000000, -0.0005041200000000 ] - [ -0.0001202900000000, 0.0000540300000000, -0.0000174000000000 ] - [ -0.0014332400000000, 0.0003599600000000, -0.0006446800000000 ] - [ -0.0020501800000000, -0.0001538800000000, -0.0007490800000000 ] - [ -0.0016605400000000, 0.0011530400000000, -0.0001125800000000 ] - [ -0.0001719000000000, -0.0000246600000000, -0.0000525700000000 ] - [ -0.0000691000000000, 0.0001643400000000, -0.0001076800000000 ] - [ -0.0002088900000000, 0.0001571700000000, 0.0000031600000000 ] - [ -0.0013081900000000, -0.0012553200000000, 0.0008815900000000 ] - [ -0.0015551300000000, 0.0000180600000000, 0.0002210600000000 ] - [ -0.0006211600000000, -0.0000823700000000, -0.0004510300000000 ] - [ -0.0004983300000000, -0.0037807300000000, 0.0025235100000000 ] - [ 0.0007652400000000, -0.0007991300000000, 0.0003367900000000 ] - [ 0.0551446000000000, -0.0494191600000000, 0.0066045300000000 ] - [ -0.0052236400000000, 0.0008589600000000, 0.0012973900000000 ] - [ 0.0005808200000000, 0.0006804700000000, 0.0003958500000000 ] - [ 0.0005546000000000, -0.0002681400000000, -0.0000820000000000 ] - [ 0.0003684400000000, 0.0024252000000000, 0.0025735200000000 ] - [ 0.0020102100000000, -0.0026728000000000, -0.0002119500000000 ] - [ -0.0043535700000000, -0.0041901400000000, -0.0011023900000000 ] - [ 0.1102031800000000, 0.0312806100000000, -0.0518873100000000 ] - [ 0.0484711900000000, 0.0139445500000000, 0.0479376500000000 ] - [ -0.0003751000000000, 0.0006952100000000, -0.0000565300000000 ] - [ -0.0009293100000000, 0.0012928500000000, -0.0003771700000000 ] - [ -0.0033117800000000, 0.0006412600000000, -0.0036514000000000 ] - [ -0.0012959800000000, 0.0001573300000000, -0.0004698000000000 ] - [ -0.0008504500000000, -0.0000502300000000, -0.0002774300000000 ] - [ -0.0013870900000000, -0.0006486500000000, -0.0005948300000000 ] - [ -0.0007599000000000, 0.0000695100000000, -0.0000237000000000 ] - [ 0.0000352700000000, 0.0001414500000000, -0.0000438000000000 ] - [ -0.0005747200000000, -0.0006712500000000, -0.0003630500000000 ] - [ -0.0002757000000000, 0.0004888700000000, -0.0001783600000000 ] - [ 0.0000236500000000, 0.0002717600000000, 0.0000797200000000 ] - [ -0.0012379600000000, -0.0004924700000000, 0.0003122300000000 ] - [ -0.0010070000000000, -0.0006520600000000, -0.0006093200000000 ] - [ -0.0001450900000000, 0.0002580100000000, 0.0001594200000000 ] - [ -0.0004789300000000, -0.0004086800000000, -0.0000912000000000 ] - [ 0.0002888200000000, 0.0002433300000000, 0.0001858200000000 ] - [ -0.0001477400000000, 0.0001853100000000, -0.0000844300000000 ] - [ -0.0001103900000000, 0.0002031600000000, -0.0000652100000000 ] - [ 0.0011303000000000, 0.0022525800000000, 0.0006133700000000 ] - [ 0.0007759700000000, 0.0020515500000000, -0.0011257100000000 ] - [ 0.0000586100000000, 0.0002158500000000, 0.0000655900000000 ] - [ 0.0001811100000000, 0.0004074000000000, 0.0000049600000000 ] - [ -0.0003219100000000, 0.0008328800000000, -0.0001116500000000 ] - [ 0.0002024100000000, 0.0001012900000000, -0.0001570100000000 ] - [ 0.0003946600000000, 0.0002283800000000, 0.0005681400000000 ]- atom: 5 displacement: [ -0.0099999418370919, 0.0000000000000000, -0.0000341065210551 ] forces: - [ -0.0360238500000000, 0.0202338800000000, -0.0097785300000000 ] - [ -0.0000507200000000, 0.0020344600000000, 0.0000230900000000 ] - [ 0.0000083500000000, 0.0000659800000000, -0.0000151500000000 ] - [ -0.0000195300000000, 0.0001101500000000, -0.0000423600000000 ] - [ 0.2757449900000000, -0.0341686300000000, 0.0110899700000000 ] - [ -0.0153965700000000, -0.0046923900000000, -0.0046105900000000 ] - [ -0.0011433500000000, 0.0013980600000000, -0.0003210500000000 ] - [ 0.0031970500000000, -0.0003209900000000, -0.0002770600000000 ] - [ 0.0000253000000000, 0.0000618900000000, 0.0000599300000000 ] - [ -0.0002574600000000, 0.0000080100000000, -0.0000582900000000 ] - [ -0.0009771200000000, 0.0012614000000000, 0.0002329800000000 ] - [ -0.0005757600000000, -0.0002685600000000, -0.0002182000000000 ] - [ -0.0011299900000000, -0.0006944700000000, -0.0003934100000000 ] - [ -0.0120592800000000, -0.0119763500000000, 0.0024720100000000 ] - [ 0.0043740600000000, 0.0038210700000000, -0.0004614200000000 ] - [ 0.0036238200000000, 0.0003358200000000, 0.0017866000000000 ] - [ 0.0030384900000000, -0.0006269600000000, 0.0014588900000000 ] - [ -0.0029505300000000, 0.0005472200000000, -0.0005776500000000 ] - [ -0.0023329900000000, 0.0004957200000000, -0.0008213100000000 ] - [ 0.0054050300000000, 0.0007106900000000, 0.0131527500000000 ] - [ -0.0015474700000000, 0.0018779700000000, -0.0004691300000000 ] - [ 0.0002728700000000, 0.0002949500000000, 0.0000437400000000 ] - [ -0.0035966200000000, -0.0030186800000000, -0.0028988800000000 ] - [ 0.0000438000000000, 0.0004779400000000, -0.0000424700000000 ] - [ 0.0001012500000000, -0.0024499500000000, -0.0001097300000000 ] - [ -0.0018106300000000, -0.0015015900000000, -0.0002691100000000 ] - [ -0.0000116600000000, 0.0005292500000000, 0.0000317800000000 ] - [ 0.0002310700000000, 0.0002042300000000, 0.0001042700000000 ] - [ 0.0000196600000000, 0.0003238500000000, -0.0000219700000000 ] - [ 0.0002429500000000, 0.0000023200000000, -0.0000188200000000 ] - [ -0.0005838800000000, 0.0002386000000000, -0.0002658700000000 ] - [ -0.0006261500000000, 0.0002536300000000, -0.0000428600000000 ] - [ -0.0008188300000000, -0.0001818100000000, -0.0002044400000000 ] - [ 0.0002149500000000, 0.0008068300000000, 0.0000871500000000 ] - [ 0.0001527200000000, 0.0004794900000000, 0.0000870900000000 ] - [ -0.0002005100000000, 0.0002235300000000, -0.0000465800000000 ] - [ -0.0002349400000000, 0.0010708600000000, -0.0002025700000000 ] - [ -0.0023177200000000, -0.0007653400000000, -0.0014408100000000 ] - [ 0.0003150700000000, 0.0000192300000000, -0.0000167500000000 ] - [ -0.0145562500000000, 0.0144043800000000, 0.0048364500000000 ] - [ -0.0000208600000000, -0.0008015400000000, 0.0000181900000000 ] - [ 0.0001053300000000, -0.0002811200000000, 0.0000376200000000 ] - [ -0.0041845900000000, 0.0057155400000000, -0.0071408100000000 ] - [ -0.0030369800000000, -0.0005394700000000, -0.0000667300000000 ] - [ -0.0003415800000000, 0.0015336300000000, -0.0015623700000000 ] - [ -0.0001729700000000, -0.0001714700000000, -0.0001207000000000 ] - [ -0.0000753600000000, -0.0001475800000000, 0.0000068700000000 ] - [ -0.0002299000000000, -0.0003057100000000, -0.0000371600000000 ] - [ -0.0006207700000000, 0.0019054300000000, 0.0008794800000000 ] - [ -0.0019710300000000, -0.0019681400000000, 0.0026191100000000 ] - [ -0.0010298500000000, -0.0003785500000000, -0.0026438500000000 ] - [ -0.0006761400000000, 0.0000031700000000, -0.0004106700000000 ] - [ -0.0001500000000000, -0.0000939000000000, -0.0000478600000000 ] - [ -0.0008769400000000, -0.0007457500000000, 0.0005389600000000 ] - [ 0.0002288700000000, -0.0002526300000000, 0.0000992300000000 ] - [ 0.0015516700000000, -0.0001598100000000, 0.0007269200000000 ] - [ 0.0021663400000000, 0.0003369500000000, 0.0007793400000000 ] - [ 0.0015660500000000, -0.0009658600000000, 0.0000429200000000 ] - [ 0.0000684300000000, -0.0001738200000000, -0.0000298500000000 ] - [ 0.0001811600000000, -0.0001710500000000, 0.0000268600000000 ] - [ 0.0001019800000000, -0.0001641200000000, 0.0000763800000000 ] - [ 0.0012027900000000, 0.0010815000000000, -0.0009065500000000 ] - [ 0.0014562100000000, 0.0001712600000000, -0.0002430200000000 ] - [ 0.0007523400000000, -0.0001022000000000, 0.0004862400000000 ] - [ 0.0004727100000000, 0.0038453900000000, -0.0025760400000000 ] - [ -0.0009833900000000, 0.0008585500000000, -0.0005801800000000 ] - [ -0.0552611900000000, 0.0485742700000000, -0.0066901600000000 ] - [ 0.0055242900000000, -0.0008425100000000, -0.0012127400000000 ] - [ -0.0005377000000000, -0.0007405900000000, -0.0001422200000000 ] - [ -0.0008175300000000, -0.0000449200000000, -0.0000864400000000 ] - [ -0.0003267200000000, -0.0024001800000000, -0.0022999300000000 ] - [ -0.0022759800000000, 0.0026581500000000, 0.0001184400000000 ] - [ 0.0046566900000000, 0.0045431000000000, 0.0012800000000000 ] - [ -0.1065293800000000, -0.0293640500000000, 0.0482042200000000 ] - [ -0.0487767000000000, -0.0138202600000000, -0.0475681600000000 ] - [ 0.0006389900000000, -0.0010170000000000, 0.0002228300000000 ] - [ 0.0008897600000000, -0.0013560800000000, 0.0001230000000000 ] - [ 0.0035511200000000, -0.0006890000000000, 0.0039112100000000 ] - [ 0.0013207500000000, -0.0001645500000000, 0.0005332900000000 ] - [ 0.0011117600000000, 0.0000233300000000, 0.0003695000000000 ] - [ 0.0013493100000000, 0.0007088000000000, 0.0003399600000000 ] - [ 0.0009695500000000, -0.0000313900000000, 0.0002570800000000 ] - [ -0.0000475400000000, -0.0001410000000000, -0.0000173600000000 ] - [ 0.0003761400000000, 0.0007172700000000, 0.0001322400000000 ] - [ 0.0000229000000000, -0.0001782100000000, 0.0000127900000000 ] - [ 0.0002301600000000, -0.0002449200000000, 0.0000107100000000 ] - [ 0.0013011900000000, 0.0004411300000000, -0.0000590400000000 ] - [ 0.0007568200000000, 0.0003435500000000, 0.0004466000000000 ] - [ 0.0001960800000000, -0.0002043500000000, 0.0000963900000000 ] - [ 0.0002278500000000, 0.0003876400000000, -0.0000001100000000 ] - [ -0.0000337800000000, 0.0000721400000000, -0.0000235200000000 ] - [ -0.0001028300000000, -0.0001592000000000, -0.0000092300000000 ] - [ -0.0000907900000000, -0.0002426400000000, -0.0001669100000000 ] - [ -0.0008576600000000, -0.0025864400000000, -0.0004650900000000 ] - [ -0.0008406800000000, -0.0021343700000000, 0.0008887300000000 ] - [ 0.0001450800000000, -0.0002549300000000, 0.0001646700000000 ] - [ -0.0001698000000000, -0.0004097600000000, 0.0000538100000000 ] - [ 0.0005753200000000, -0.0008599300000000, 0.0002004600000000 ] - [ -0.0002536800000000, -0.0000444900000000, -0.0001007000000000 ] - [ -0.0001949300000000, -0.0001930100000000, -0.0003383100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0107245900000000, 0.0084279300000000, -0.0025791800000000 ] - [ 0.0001552300000000, 0.0003870700000000, 0.0000534800000000 ] - [ 0.0000179200000000, 0.0004231100000000, -0.0000059500000000 ] - [ -0.0000411500000000, 0.0003978100000000, -0.0000886900000000 ] - [ 0.0312163100000000, -0.2308170600000000, 0.0068224400000000 ] - [ -0.0046775500000000, -0.0041651400000000, -0.0015384200000000 ] - [ -0.0013838300000000, 0.0011615000000000, -0.0004565400000000 ] - [ -0.0003222500000000, 0.0037530200000000, 0.0000751500000000 ] - [ -0.0000682200000000, 0.0010213400000000, 0.0000599600000000 ] - [ 0.0000114300000000, 0.0013556700000000, 0.0000170500000000 ] - [ -0.0012459800000000, 0.0018783600000000, 0.0002155500000000 ] - [ -0.0002759700000000, 0.0000281700000000, -0.0000383800000000 ] - [ -0.0002192300000000, -0.0033801800000000, -0.0000703100000000 ] - [ 0.0089500400000000, 0.0063176200000000, -0.0022181500000000 ] - [ 0.0056836000000000, 0.0219885300000000, -0.0008035000000000 ] - [ 0.0006547000000000, -0.0002951500000000, 0.0000038800000000 ] - [ -0.0005401600000000, 0.0026438300000000, -0.0002297800000000 ] - [ 0.0000634200000000, -0.0006214800000000, 0.0003006100000000 ] - [ 0.0000600200000000, -0.0006781000000000, -0.0000105200000000 ] - [ -0.0038092600000000, -0.0074464700000000, -0.0013966100000000 ] - [ -0.0004839900000000, 0.0007050700000000, -0.0001684400000000 ] - [ -0.0000454300000000, 0.0016394000000000, -0.0000425200000000 ] - [ 0.0060042200000000, 0.0056140900000000, 0.0061953300000000 ] - [ 0.0000050700000000, 0.0013851500000000, -0.0000541900000000 ] - [ 0.0019317400000000, -0.0009162500000000, 0.0005480800000000 ] - [ 0.0014913900000000, -0.0001698000000000, 0.0003289300000000 ] - [ -0.0001695500000000, 0.0012895600000000, -0.0000366800000000 ] - [ -0.0002155100000000, 0.0018507400000000, 0.0000234200000000 ] - [ 0.0000557200000000, 0.0019554000000000, -0.0000436000000000 ] - [ 0.0004682600000000, 0.0012582400000000, 0.0000523700000000 ] - [ 0.0002720600000000, 0.0011534600000000, 0.0002108700000000 ] - [ 0.0002514600000000, 0.0011261600000000, -0.0000366100000000 ] - [ -0.0003955100000000, 0.0006253400000000, -0.0000052600000000 ] - [ 0.0001412500000000, 0.0025731800000000, 0.0000168100000000 ] - [ -0.0000091500000000, 0.0020324400000000, 0.0000551900000000 ] - [ -0.0001352600000000, 0.0015771600000000, -0.0000246500000000 ] - [ -0.0008672400000000, 0.0024911200000000, -0.0004418300000000 ] - [ -0.0007493400000000, -0.0022224200000000, -0.0003019400000000 ] - [ 0.0005917400000000, 0.0014430000000000, -0.0000082500000000 ] - [ -0.0164296800000000, -0.0078768000000000, 0.0109410600000000 ] - [ 0.0003701300000000, 0.0020455500000000, -0.0000135000000000 ] - [ 0.0002968500000000, 0.0019191000000000, 0.0001983500000000 ] - [ -0.0057883400000000, -0.0040268500000000, -0.0169130400000000 ] - [ -0.0008789900000000, -0.0020916800000000, -0.0001786700000000 ] - [ -0.0017653900000000, 0.0032237700000000, 0.0001146500000000 ] - [ 0.0002065800000000, -0.0008762600000000, 0.0000642700000000 ] - [ -0.0000387500000000, -0.0010483300000000, -0.0000347900000000 ] - [ 0.0001761800000000, -0.0007540200000000, 0.0000781500000000 ] - [ -0.0015554400000000, 0.0023206300000000, -0.0006093000000000 ] - [ -0.0005006800000000, 0.0025701600000000, -0.0033526800000000 ] - [ -0.0021893800000000, 0.0023879200000000, 0.0024563800000000 ] - [ -0.0008817500000000, -0.0009871400000000, -0.0006694100000000 ] - [ -0.0001105800000000, -0.0008693300000000, 0.0000204700000000 ] - [ -0.0011795000000000, -0.0019213200000000, 0.0011864800000000 ] - [ -0.0000387300000000, -0.0009655200000000, 0.0000114700000000 ] - [ 0.0005246900000000, 0.0009190900000000, 0.0001680300000000 ] - [ -0.0003038400000000, 0.0016871900000000, -0.0000238800000000 ] - [ 0.0015360100000000, -0.0013612800000000, 0.0006699500000000 ] - [ -0.0002303700000000, -0.0010606200000000, -0.0000939900000000 ] - [ 0.0002379900000000, -0.0008151300000000, 0.0000152200000000 ] - [ 0.0001436300000000, -0.0007953200000000, 0.0001190000000000 ] - [ -0.0009224200000000, -0.0014630600000000, -0.0002259800000000 ] - [ 0.0000113700000000, 0.0047969400000000, -0.0004876200000000 ] - [ -0.0006540900000000, -0.0006057500000000, -0.0001730300000000 ] - [ 0.0006043500000000, -0.0010779800000000, 0.0004528900000000 ] - [ -0.0002413900000000, -0.0018254700000000, -0.0001652800000000 ] - [ -0.0475714500000000, 0.1253975300000000, -0.0090899100000000 ] - [ 0.0022921800000000, 0.0009880100000000, -0.0005616500000000 ] - [ -0.0002329900000000, -0.0016610500000000, 0.0001366500000000 ] - [ -0.0004576600000000, -0.0024648500000000, -0.0002343100000000 ] - [ -0.0034412100000000, 0.0071891000000000, -0.0013258500000000 ] - [ -0.0002602900000000, -0.0021690000000000, -0.0000477900000000 ] - [ 0.0019793100000000, 0.0040093800000000, 0.0005594700000000 ] - [ 0.0259535800000000, 0.0360039300000000, -0.0169538800000000 ] - [ 0.0113777900000000, 0.0330174200000000, 0.0251026400000000 ] - [ 0.0004869200000000, -0.0013910700000000, 0.0002249200000000 ] - [ -0.0001309700000000, -0.0009371200000000, -0.0002275000000000 ] - [ 0.0014571500000000, 0.0009716400000000, 0.0018309100000000 ] - [ -0.0003020600000000, 0.0005924200000000, -0.0001159000000000 ] - [ 0.0007686100000000, -0.0002038000000000, -0.0000142700000000 ] - [ 0.0001879200000000, 0.0020664800000000, -0.0001341400000000 ] - [ 0.0006576900000000, -0.0001267500000000, 0.0005460100000000 ] - [ -0.0003641100000000, -0.0009028000000000, -0.0000304900000000 ] - [ 0.0000465800000000, -0.0002798000000000, -0.0000294100000000 ] - [ 0.0001151100000000, -0.0012992400000000, 0.0000026500000000 ] - [ 0.0006086000000000, -0.0013033900000000, -0.0001777600000000 ] - [ -0.0008663100000000, 0.0006286900000000, -0.0001220200000000 ] - [ -0.0005075600000000, 0.0006462200000000, -0.0000970800000000 ] - [ 0.0001655500000000, -0.0011779200000000, 0.0001100700000000 ] - [ 0.0000967600000000, -0.0003436400000000, -0.0001085200000000 ] - [ -0.0000883400000000, -0.0016866100000000, -0.0000119900000000 ] - [ -0.0004357200000000, -0.0009652700000000, 0.0001150900000000 ] - [ -0.0003481400000000, -0.0010956000000000, -0.0004636100000000 ] - [ 0.0037280700000000, -0.0024501000000000, -0.0012927800000000 ] - [ 0.0016298700000000, -0.0027374000000000, 0.0043427100000000 ] - [ 0.0003668700000000, -0.0012643800000000, 0.0005120400000000 ] - [ 0.0000141400000000, -0.0013738000000000, 0.0001105100000000 ] - [ 0.0014257300000000, -0.0021164400000000, 0.0001385100000000 ] - [ -0.0001162400000000, -0.0014666100000000, -0.0000995200000000 ] - [ -0.0002802100000000, -0.0013340700000000, -0.0005281100000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0104921600000000, -0.0083764000000000, 0.0024993900000000 ] - [ -0.0001582100000000, -0.0003454100000000, -0.0000366700000000 ] - [ -0.0000138800000000, -0.0004516000000000, -0.0000114000000000 ] - [ 0.0000378000000000, -0.0003657700000000, 0.0001034300000000 ] - [ -0.0351794000000000, 0.2388787100000000, -0.0071835600000000 ] - [ 0.0042416500000000, 0.0037099500000000, 0.0013787100000000 ] - [ 0.0009798800000000, -0.0007535900000000, 0.0002975800000000 ] - [ 0.0007273000000000, -0.0033323700000000, 0.0000740100000000 ] - [ 0.0004711600000000, -0.0014330200000000, 0.0000989100000000 ] - [ -0.0004184300000000, -0.0017694200000000, -0.0001697000000000 ] - [ 0.0008545400000000, -0.0014707100000000, -0.0003811700000000 ] - [ 0.0006750100000000, 0.0003732800000000, 0.0001854000000000 ] - [ 0.0003746600000000, 0.0032638100000000, 0.0000846800000000 ] - [ -0.0088130900000000, -0.0063880700000000, 0.0020977600000000 ] - [ -0.0056421900000000, -0.0221689800000000, 0.0009079000000000 ] - [ -0.0005489900000000, 0.0003472600000000, -0.0000233400000000 ] - [ 0.0003982900000000, -0.0025386300000000, 0.0002170700000000 ] - [ -0.0002008500000000, 0.0006314400000000, -0.0002116500000000 ] - [ -0.0001225700000000, 0.0006863500000000, 0.0002020900000000 ] - [ 0.0037178700000000, 0.0073236400000000, 0.0013887600000000 ] - [ 0.0006370700000000, -0.0005765300000000, 0.0001822800000000 ] - [ 0.0001400100000000, -0.0016938500000000, 0.0000164800000000 ] - [ -0.0059597100000000, -0.0056809300000000, -0.0063626100000000 ] - [ -0.0000134100000000, -0.0013993900000000, -0.0000447100000000 ] - [ -0.0019430900000000, 0.0009214000000000, -0.0006486400000000 ] - [ -0.0015903300000000, 0.0002172200000000, -0.0003044100000000 ] - [ 0.0000748000000000, -0.0013452800000000, 0.0000617500000000 ] - [ 0.0002255900000000, -0.0018658100000000, 0.0000725400000000 ] - [ 0.0000974800000000, -0.0020799700000000, 0.0000590600000000 ] - [ -0.0003526100000000, -0.0012637800000000, -0.0001488600000000 ] - [ -0.0002684700000000, -0.0011432300000000, -0.0001144900000000 ] - [ -0.0001617900000000, -0.0010757300000000, 0.0000071400000000 ] - [ 0.0002380000000000, -0.0005047500000000, -0.0000134100000000 ] - [ -0.0002570900000000, -0.0025809200000000, 0.0000778900000000 ] - [ -0.0000305900000000, -0.0020355800000000, 0.0001442900000000 ] - [ -0.0000171800000000, -0.0017027900000000, 0.0000072800000000 ] - [ 0.0010257800000000, -0.0023738700000000, 0.0004610900000000 ] - [ 0.0008280300000000, 0.0021681400000000, 0.0002668700000000 ] - [ -0.0005505400000000, -0.0014480900000000, -0.0001930700000000 ] - [ 0.0165241400000000, 0.0079330900000000, -0.0110736000000000 ] - [ -0.0003725700000000, -0.0020381800000000, -0.0000848600000000 ] - [ -0.0003851700000000, -0.0018719800000000, -0.0001707500000000 ] - [ 0.0057474700000000, 0.0040316300000000, 0.0170173100000000 ] - [ 0.0008665900000000, 0.0020791700000000, 0.0002723300000000 ] - [ 0.0018703400000000, -0.0034391700000000, -0.0000347300000000 ] - [ -0.0001071900000000, 0.0010762800000000, 0.0000184400000000 ] - [ 0.0001470200000000, 0.0012375600000000, 0.0000659600000000 ] - [ -0.0002770900000000, 0.0009533400000000, -0.0001639700000000 ] - [ 0.0014598100000000, -0.0025255700000000, 0.0005285600000000 ] - [ 0.0006030400000000, -0.0025300400000000, 0.0032145200000000 ] - [ 0.0020407900000000, -0.0023445300000000, -0.0023337600000000 ] - [ 0.0007762100000000, 0.0008022100000000, 0.0006373400000000 ] - [ 0.0000031100000000, 0.0010580500000000, -0.0000543000000000 ] - [ 0.0012901200000000, 0.0017386500000000, -0.0011586500000000 ] - [ 0.0001385200000000, 0.0007652700000000, 0.0000757100000000 ] - [ -0.0004178900000000, -0.0007224300000000, -0.0000796300000000 ] - [ 0.0004221200000000, -0.0015019500000000, 0.0000582900000000 ] - [ -0.0016330300000000, 0.0015587900000000, -0.0007582600000000 ] - [ 0.0001314300000000, 0.0008602200000000, 0.0000055100000000 ] - [ -0.0001222100000000, 0.0008265600000000, -0.0001173500000000 ] - [ -0.0002600000000000, 0.0008054700000000, -0.0000183100000000 ] - [ 0.0008265400000000, 0.0012913100000000, 0.0001946200000000 ] - [ -0.0001089700000000, -0.0046200400000000, 0.0004593300000000 ] - [ 0.0007715600000000, 0.0004204100000000, 0.0002070400000000 ] - [ -0.0006203900000000, 0.0011358500000000, -0.0005184700000000 ] - [ 0.0000241300000000, 0.0018719900000000, -0.0000852600000000 ] - [ 0.0510807700000000, -0.1330145100000000, 0.0095930900000000 ] - [ -0.0019918300000000, -0.0009658600000000, 0.0006377300000000 ] - [ 0.0002821800000000, 0.0016118300000000, 0.0001179000000000 ] - [ 0.0002011100000000, 0.0021597400000000, 0.0000695700000000 ] - [ 0.0034884700000000, -0.0071808700000000, 0.0015808400000000 ] - [ -0.0000189000000000, 0.0021490700000000, -0.0000364200000000 ] - [ -0.0017145700000000, -0.0036988700000000, -0.0003955900000000 ] - [ -0.0257237500000000, -0.0361757500000000, 0.0164851300000000 ] - [ -0.0114717200000000, -0.0333103500000000, -0.0249874200000000 ] - [ -0.0002311200000000, 0.0010826200000000, -0.0000615500000000 ] - [ 0.0000853600000000, 0.0008836300000000, -0.0000273700000000 ] - [ -0.0012264200000000, -0.0010144400000000, -0.0015636400000000 ] - [ 0.0003218800000000, -0.0005963000000000, 0.0001774600000000 ] - [ -0.0005066400000000, 0.0001817800000000, 0.0001030400000000 ] - [ -0.0002313600000000, -0.0020140300000000, -0.0001193400000000 ] - [ -0.0004505600000000, 0.0001694400000000, -0.0003101700000000 ] - [ 0.0003543700000000, 0.0009035100000000, -0.0000300900000000 ] - [ -0.0002479400000000, 0.0003233600000000, -0.0002020600000000 ] - [ -0.0003644300000000, 0.0016069300000000, -0.0001662600000000 ] - [ -0.0003576000000000, 0.0013287100000000, 0.0002685300000000 ] - [ 0.0009214900000000, -0.0006809300000000, 0.0003775900000000 ] - [ 0.0002602800000000, -0.0009503800000000, -0.0000647400000000 ] - [ -0.0001144100000000, 0.0012325400000000, 0.0001443500000000 ] - [ -0.0003478500000000, 0.0003215400000000, 0.0000147200000000 ] - [ 0.0003388400000000, 0.0019945900000000, 0.0001728900000000 ] - [ 0.0001847000000000, 0.0009898700000000, -0.0002084900000000 ] - [ 0.0001476900000000, 0.0010545600000000, 0.0002302800000000 ] - [ -0.0034875300000000, 0.0021223600000000, 0.0014391400000000 ] - [ -0.0017045800000000, 0.0026806900000000, -0.0046074300000000 ] - [ -0.0001657700000000, 0.0012238600000000, -0.0002826500000000 ] - [ -0.0000028400000000, 0.0013758600000000, -0.0000523400000000 ] - [ -0.0011879100000000, 0.0021028400000000, -0.0000419900000000 ] - [ 0.0000657800000000, 0.0015216200000000, -0.0001576800000000 ] - [ 0.0004817200000000, 0.0013727000000000, 0.0007552500000000 ]- atom: 5 displacement: [ -0.0028145825136884, 0.0000000000000000, 0.0095957347438140 ] forces: - [ -0.0005969900000000, 0.0004438800000000, 0.0007305200000000 ] - [ -0.0000206700000000, 0.0000603200000000, 0.0000619100000000 ] - [ 0.0000025800000000, -0.0000230100000000, -0.0000060900000000 ] - [ 0.0000073600000000, 0.0000137800000000, 0.0000236700000000 ] - [ 0.0665204400000000, -0.0051534200000000, -0.2357841200000000 ] - [ -0.0001317300000000, -0.0000744900000000, -0.0006100700000000 ] - [ -0.0002361700000000, 0.0001811000000000, -0.0000187200000000 ] - [ 0.0014003800000000, 0.0000625700000000, -0.0035680800000000 ] - [ 0.0001714500000000, -0.0001511400000000, 0.0000743000000000 ] - [ -0.0002350400000000, -0.0002372100000000, -0.0000761400000000 ] - [ -0.0007228400000000, 0.0007934800000000, -0.0000760700000000 ] - [ 0.0002611200000000, 0.0001797900000000, 0.0000535900000000 ] - [ -0.0002076000000000, 0.0000294900000000, 0.0003351600000000 ] - [ -0.0121781700000000, -0.0154153600000000, 0.0046310200000000 ] - [ 0.0012015800000000, 0.0009560200000000, -0.0007095400000000 ] - [ 0.0002226100000000, -0.0002174200000000, 0.0014451400000000 ] - [ -0.0005020400000000, 0.0001438100000000, 0.0014234000000000 ] - [ -0.0008840900000000, 0.0000534600000000, -0.0004787400000000 ] - [ 0.0007444500000000, -0.0000622900000000, 0.0002145800000000 ] - [ -0.0110859500000000, 0.0005076400000000, 0.0375265300000000 ] - [ 0.0000460800000000, 0.0000680900000000, -0.0000138400000000 ] - [ 0.0000623300000000, -0.0000301300000000, -0.0000038400000000 ] - [ 0.0083411100000000, 0.0159118400000000, 0.0095163000000000 ] - [ 0.0000049500000000, -0.0000020100000000, -0.0000795300000000 ] - [ 0.0000772700000000, -0.0000148600000000, -0.0005802400000000 ] - [ -0.0005186000000000, 0.0000619200000000, 0.0006791800000000 ] - [ -0.0000492200000000, -0.0000048400000000, 0.0000398000000000 ] - [ 0.0000316000000000, -0.0000293600000000, 0.0000532600000000 ] - [ 0.0000632800000000, -0.0000621700000000, 0.0000029300000000 ] - [ 0.0000716800000000, -0.0000339300000000, -0.0000698300000000 ] - [ 0.0001899800000000, 0.0001339500000000, 0.0001186100000000 ] - [ -0.0001054400000000, -0.0000779400000000, 0.0000166200000000 ] - [ -0.0002063700000000, 0.0000449200000000, -0.0000276900000000 ] - [ 0.0000223400000000, 0.0000526300000000, 0.0000253100000000 ] - [ 0.0000222500000000, 0.0000122800000000, 0.0001370500000000 ] - [ -0.0000643500000000, -0.0000899500000000, -0.0000004900000000 ] - [ 0.0001237000000000, -0.0000985600000000, 0.0000494800000000 ] - [ 0.0001001300000000, 0.0000721600000000, 0.0000284100000000 ] - [ 0.0000326400000000, -0.0000371700000000, -0.0000677200000000 ] - [ -0.0097983200000000, 0.0146299100000000, 0.0020079400000000 ] - [ -0.0003220700000000, -0.0007913900000000, 0.0000251400000000 ] - [ 0.0001139300000000, 0.0005762400000000, 0.0002151800000000 ] - [ 0.0062765900000000, -0.0135748400000000, 0.0055422900000000 ] - [ -0.0003507800000000, 0.0000301700000000, -0.0001147700000000 ] - [ 0.0005502600000000, -0.0009222400000000, 0.0008412200000000 ] - [ 0.0000382300000000, 0.0001329400000000, 0.0000684500000000 ] - [ 0.0000458400000000, 0.0000919100000000, 0.0000186700000000 ] - [ -0.0000489200000000, 0.0000606000000000, -0.0000261500000000 ] - [ -0.0004097100000000, 0.0007890900000000, 0.0002707300000000 ] - [ 0.0001224900000000, -0.0034422700000000, 0.0021033900000000 ] - [ -0.0011584500000000, 0.0032349600000000, 0.0019524700000000 ] - [ -0.0001526000000000, -0.0000566800000000, -0.0000914800000000 ] - [ -0.0000626800000000, 0.0000990600000000, -0.0000213100000000 ] - [ 0.0000449000000000, -0.0000510600000000, 0.0000807900000000 ] - [ 0.0000477200000000, -0.0001170900000000, 0.0000448300000000 ] - [ -0.0003957800000000, 0.0001841400000000, 0.0008142900000000 ] - [ -0.0001567600000000, 0.0001408600000000, 0.0005969300000000 ] - [ 0.0002544600000000, 0.0000376700000000, -0.0018470300000000 ] - [ -0.0000309600000000, -0.0001032700000000, -0.0001308900000000 ] - [ 0.0000619000000000, 0.0000087300000000, -0.0000284400000000 ] - [ -0.0000338600000000, 0.0000077100000000, 0.0000213600000000 ] - [ 0.0012291100000000, -0.0000645900000000, -0.0044808800000000 ] - [ 0.0005154600000000, 0.0002299600000000, -0.0019418900000000 ] - [ -0.0004185900000000, -0.0002396400000000, 0.0010596500000000 ] - [ 0.0020474300000000, -0.0003137600000000, -0.0083144800000000 ] - [ 0.0014369000000000, -0.0025231800000000, 0.0013337400000000 ] - [ -0.0088673000000000, 0.0039511200000000, 0.0215970400000000 ] - [ 0.0006921200000000, -0.0001795000000000, -0.0000014400000000 ] - [ 0.0000763900000000, -0.0000114800000000, -0.0000946300000000 ] - [ -0.0002993700000000, -0.0000400200000000, 0.0004058900000000 ] - [ 0.0011097100000000, -0.0000767200000000, -0.0060758500000000 ] - [ -0.0022154500000000, 0.0028976100000000, 0.0004017500000000 ] - [ 0.0002172900000000, 0.0001120500000000, 0.0002346500000000 ] - [ -0.0706937100000000, -0.0238923300000000, 0.0634577500000000 ] - [ 0.0283298800000000, 0.0223274800000000, 0.1039933100000000 ] - [ 0.0000929700000000, -0.0001416700000000, 0.0001254000000000 ] - [ -0.0000056500000000, -0.0000653200000000, -0.0002988600000000 ] - [ -0.0001626700000000, 0.0000607800000000, -0.0001679200000000 ] - [ 0.0000239400000000, -0.0000521200000000, 0.0003698000000000 ] - [ 0.0003661200000000, 0.0001797600000000, 0.0000981900000000 ] - [ 0.0000994900000000, -0.0000208300000000, -0.0001487700000000 ] - [ -0.0000223600000000, -0.0000629800000000, 0.0000911100000000 ] - [ 0.0000324400000000, -0.0000315400000000, -0.0000194600000000 ] - [ -0.0000903800000000, 0.0001133500000000, -0.0001150800000000 ] - [ -0.0001732700000000, 0.0000100300000000, -0.0000952900000000 ] - [ 0.0001354500000000, 0.0000144100000000, 0.0000532400000000 ] - [ 0.0004399400000000, -0.0001643000000000, 0.0000579000000000 ] - [ -0.0002713000000000, -0.0001774400000000, -0.0000976100000000 ] - [ 0.0000986000000000, 0.0001270200000000, 0.0001388700000000 ] - [ -0.0001514300000000, 0.0000383700000000, -0.0000295400000000 ] - [ 0.0000779400000000, 0.0001964200000000, 0.0000761400000000 ] - [ -0.0001358000000000, 0.0000017200000000, -0.0000252500000000 ] - [ -0.0000976500000000, -0.0000346500000000, -0.0001442900000000 ] - [ -0.0017135500000000, -0.0010682200000000, -0.0002589200000000 ] - [ 0.0012988900000000, 0.0002176600000000, 0.0011329800000000 ] - [ 0.0001065600000000, -0.0000167200000000, 0.0001109700000000 ] - [ -0.0000138000000000, 0.0000039500000000, 0.0000476000000000 ] - [ 0.0001464600000000, -0.0002215800000000, 0.0002436400000000 ] - [ 0.0000135600000000, 0.0000535300000000, -0.0000933900000000 ] - [ 0.0001341300000000, -0.0000696600000000, 0.0000143100000000 ]- atom: 5 displacement: [ 0.0028145825136884, 0.0000000000000000, -0.0095957347438140 ] forces: - [ 0.0007225900000000, -0.0005000300000000, -0.0007133400000000 ] - [ 0.0000190500000000, -0.0000123400000000, -0.0000450700000000 ] - [ 0.0000023400000000, -0.0000145900000000, -0.0000102300000000 ] - [ -0.0000093500000000, 0.0000202100000000, -0.0000077700000000 ] - [ -0.0732772100000000, 0.0000741600000000, 0.2331099100000000 ] - [ -0.0002832300000000, -0.0003635700000000, 0.0004566200000000 ] - [ -0.0001760400000000, 0.0002431600000000, -0.0001434800000000 ] - [ -0.0009837700000000, 0.0003616100000000, 0.0037205000000000 ] - [ 0.0002354800000000, -0.0002659200000000, 0.0000855500000000 ] - [ -0.0001722000000000, -0.0001786100000000, -0.0000738500000000 ] - [ 0.0003128700000000, -0.0003688600000000, -0.0000813400000000 ] - [ 0.0001435000000000, 0.0002325700000000, 0.0000951900000000 ] - [ 0.0003471400000000, -0.0001542400000000, -0.0003242000000000 ] - [ 0.0123243800000000, 0.0154111700000000, -0.0047414300000000 ] - [ -0.0011149500000000, -0.0008350200000000, 0.0007974900000000 ] - [ -0.0001070700000000, 0.0002414600000000, -0.0014532900000000 ] - [ 0.0003625400000000, -0.0000186200000000, -0.0014331800000000 ] - [ 0.0007711400000000, -0.0000510300000000, 0.0005669700000000 ] - [ -0.0007856700000000, 0.0000642400000000, -0.0000079300000000 ] - [ 0.0109844100000000, -0.0005744100000000, -0.0374941700000000 ] - [ 0.0000988400000000, 0.0000638100000000, 0.0000258000000000 ] - [ 0.0000398000000000, -0.0000205500000000, -0.0000154900000000 ] - [ -0.0082779000000000, -0.0158929400000000, -0.0096758700000000 ] - [ -0.0000288700000000, -0.0000130100000000, -0.0000181200000000 ] - [ -0.0001030100000000, 0.0000200900000000, 0.0004824000000000 ] - [ 0.0004121600000000, -0.0000173800000000, -0.0006597500000000 ] - [ -0.0000509700000000, -0.0000467200000000, -0.0000198100000000 ] - [ -0.0000045400000000, 0.0000149900000000, 0.0000439100000000 ] - [ 0.0000879200000000, -0.0000568400000000, 0.0000096900000000 ] - [ 0.0000314300000000, 0.0000350800000000, -0.0000217400000000 ] - [ -0.0001661100000000, -0.0001154700000000, -0.0000220400000000 ] - [ 0.0002061800000000, 0.0001339900000000, -0.0000366300000000 ] - [ 0.0000536200000000, 0.0000751800000000, 0.0000143500000000 ] - [ -0.0001188900000000, -0.0000439900000000, 0.0000680900000000 ] - [ -0.0000505600000000, -0.0000076700000000, 0.0000716800000000 ] - [ -0.0000855000000000, -0.0000322300000000, -0.0000134700000000 ] - [ 0.0000238800000000, 0.0002281300000000, -0.0000386300000000 ] - [ -0.0000090600000000, -0.0001288800000000, -0.0000489800000000 ] - [ 0.0000023200000000, 0.0000389400000000, -0.0001414300000000 ] - [ 0.0097997800000000, -0.0147178200000000, -0.0020231900000000 ] - [ 0.0002989000000000, 0.0008077200000000, -0.0001198300000000 ] - [ -0.0002124200000000, -0.0005221300000000, -0.0001968000000000 ] - [ -0.0063147300000000, 0.0134519400000000, -0.0055722400000000 ] - [ 0.0003656000000000, -0.0000514900000000, 0.0002055000000000 ] - [ -0.0004486900000000, 0.0007341200000000, -0.0007457200000000 ] - [ 0.0000643200000000, 0.0000657200000000, 0.0000150100000000 ] - [ 0.0000647100000000, 0.0000957900000000, 0.0000162900000000 ] - [ -0.0000534700000000, 0.0001371300000000, -0.0000574200000000 ] - [ 0.0003067600000000, -0.0009856500000000, -0.0003627500000000 ] - [ 0.0000046900000000, 0.0034486400000000, -0.0021919200000000 ] - [ 0.0010545100000000, -0.0032225500000000, -0.0018493400000000 ] - [ 0.0000395800000000, -0.0001338800000000, 0.0000521800000000 ] - [ -0.0000460800000000, 0.0000891900000000, -0.0000138000000000 ] - [ 0.0000566500000000, -0.0001458700000000, -0.0000372100000000 ] - [ 0.0000555100000000, -0.0000865000000000, 0.0000392300000000 ] - [ 0.0004983700000000, 0.0000234700000000, -0.0007295400000000 ] - [ 0.0002706300000000, 0.0000478400000000, -0.0005611700000000 ] - [ -0.0003492800000000, 0.0001577700000000, 0.0017638900000000 ] - [ -0.0000691000000000, -0.0000999800000000, 0.0000467700000000 ] - [ 0.0000524200000000, -0.0000072800000000, -0.0000609700000000 ] - [ -0.0000786100000000, -0.0000069000000000, 0.0000679300000000 ] - [ -0.0013381000000000, -0.0001282400000000, 0.0044406100000000 ] - [ -0.0006150000000000, -0.0000227600000000, 0.0019066100000000 ] - [ 0.0005324500000000, 0.0000503300000000, -0.0010224100000000 ] - [ -0.0020784200000000, 0.0003452700000000, 0.0082466700000000 ] - [ -0.0016482900000000, 0.0025676100000000, -0.0015686400000000 ] - [ 0.0085347100000000, -0.0031278500000000, -0.0217010900000000 ] - [ -0.0004206100000000, 0.0002040000000000, 0.0000931300000000 ] - [ -0.0000281900000000, -0.0000443600000000, 0.0003505500000000 ] - [ 0.0000387500000000, -0.0002758100000000, -0.0005710300000000 ] - [ -0.0011095100000000, 0.0001558600000000, 0.0063182300000000 ] - [ 0.0019464800000000, -0.0029165900000000, -0.0004950100000000 ] - [ 0.0000461100000000, 0.0002011900000000, -0.0000693200000000 ] - [ 0.0750655800000000, 0.0260304200000000, -0.0666461000000000 ] - [ -0.0263669600000000, -0.0203737700000000, -0.0985048500000000 ] - [ 0.0001700500000000, -0.0001741500000000, 0.0000409900000000 ] - [ -0.0000386400000000, 0.0000069200000000, 0.0000440400000000 ] - [ 0.0003788200000000, -0.0001006500000000, 0.0004064400000000 ] - [ -0.0000058200000000, 0.0000478400000000, -0.0003075600000000 ] - [ -0.0001047100000000, -0.0002019100000000, -0.0000025900000000 ] - [ -0.0001393100000000, 0.0000795300000000, -0.0001046400000000 ] - [ 0.0002331700000000, 0.0001053700000000, 0.0001428200000000 ] - [ -0.0000426300000000, 0.0000310500000000, -0.0000397200000000 ] - [ -0.0001115300000000, -0.0000667900000000, -0.0001166400000000 ] - [ -0.0000831700000000, 0.0002973700000000, -0.0000699500000000 ] - [ 0.0001210600000000, 0.0000057200000000, 0.0000411500000000 ] - [ -0.0003833100000000, 0.0001131900000000, 0.0001978900000000 ] - [ 0.0000163200000000, -0.0001338600000000, -0.0000649500000000 ] - [ -0.0000476300000000, -0.0000773300000000, 0.0001172100000000 ] - [ -0.0001020400000000, -0.0000572000000000, -0.0000626000000000 ] - [ 0.0001801200000000, 0.0001090000000000, 0.0000882100000000 ] - [ -0.0001191400000000, 0.0000187700000000, -0.0000684500000000 ] - [ -0.0001068600000000, -0.0000102800000000, -0.0000893400000000 ] - [ 0.0019906400000000, 0.0007355700000000, 0.0004027900000000 ] - [ -0.0013497400000000, -0.0002815700000000, -0.0013557600000000 ] - [ 0.0000995700000000, -0.0000276400000000, 0.0001192500000000 ] - [ 0.0000246900000000, -0.0000072600000000, 0.0000122100000000 ] - [ 0.0001182500000000, 0.0001927100000000, -0.0001495800000000 ] - [ -0.0000620600000000, -0.0000035300000000, -0.0001634800000000 ] - [ 0.0000681700000000, 0.0001086700000000, 0.0002130700000000 ]- atom: 13 displacement: [ 0.0099999418370919, 0.0000000000000000, 0.0000341065210551 ] forces: - [ -0.0001012500000000, -0.0014808000000000, -0.0001548800000000 ] - [ -0.0000412700000000, 0.0019585500000000, -0.0002611100000000 ] - [ -0.0000026000000000, 0.0000243700000000, 0.0000030100000000 ] - [ 0.0000196700000000, 0.0000680700000000, 0.0000357400000000 ] - [ 0.0013825600000000, -0.0004976400000000, 0.0001359900000000 ] - [ -0.0057089300000000, 0.0035993200000000, -0.0130139200000000 ] - [ -0.0032856500000000, -0.0002844200000000, -0.0014273200000000 ] - [ 0.0017978900000000, 0.0007528500000000, 0.0005147700000000 ] - [ 0.0002495100000000, -0.0002181800000000, 0.0000786200000000 ] - [ -0.0000669300000000, -0.0001381700000000, -0.0000227600000000 ] - [ 0.0005740700000000, -0.0001308700000000, 0.0000119300000000 ] - [ 0.0004827600000000, 0.0011464600000000, 0.0002081000000000 ] - [ -0.0706724100000000, -0.0069286900000000, -0.0101109800000000 ] - [ 0.0022805700000000, -0.0001693200000000, 0.0010996200000000 ] - [ 0.0016801100000000, -0.0015454300000000, 0.0002691700000000 ] - [ 0.0012363000000000, -0.0017266000000000, 0.0007100400000000 ] - [ 0.0008695100000000, 0.0019866000000000, 0.0004337500000000 ] - [ 0.0025957900000000, -0.0041686800000000, 0.0071303000000000 ] - [ 0.0100194200000000, -0.0087148900000000, -0.0031586000000000 ] - [ 0.0071322800000000, -0.0003778000000000, 0.0023767600000000 ] - [ -0.0048293900000000, -0.0022164800000000, -0.0011969000000000 ] - [ 0.0000390900000000, 0.0002245800000000, -0.0000105000000000 ] - [ 0.0027111800000000, -0.0001966400000000, 0.0000765000000000 ] - [ -0.0001932900000000, -0.0000242400000000, -0.0001149300000000 ] - [ -0.0029376800000000, -0.0000034700000000, -0.0008162300000000 ] - [ -0.0051010300000000, 0.0022006900000000, -0.0019819900000000 ] - [ -0.0003199700000000, -0.0001466900000000, -0.0000567200000000 ] - [ -0.0001266700000000, 0.0003670300000000, 0.0000167300000000 ] - [ 0.0002018800000000, -0.0000149100000000, 0.0000386800000000 ] - [ -0.0001594900000000, 0.0001402000000000, -0.0001386200000000 ] - [ -0.0000762400000000, -0.0007165100000000, 0.0002181900000000 ] - [ 0.0001060800000000, -0.0007349700000000, -0.0001079500000000 ] - [ 0.0001600700000000, 0.0008524100000000, 0.0000013600000000 ] - [ -0.0001752200000000, -0.0002332900000000, 0.0000229900000000 ] - [ -0.0000724400000000, -0.0002082400000000, 0.0000814400000000 ] - [ -0.0000307800000000, 0.0000191300000000, 0.0000027100000000 ] - [ 0.0006723800000000, -0.0002073500000000, 0.0002493400000000 ] - [ 0.0074870700000000, 0.0083416400000000, -0.0031069100000000 ] - [ -0.0002522800000000, 0.0002313200000000, -0.0001486200000000 ] - [ 0.0022365900000000, 0.0002416400000000, 0.0010057500000000 ] - [ 0.0007526500000000, 0.0000118200000000, 0.0001204400000000 ] - [ 0.0005515200000000, 0.0001446500000000, 0.0002402700000000 ] - [ 0.0023128800000000, 0.0000457300000000, 0.0003379700000000 ] - [ 0.0028898500000000, 0.0042515900000000, 0.0064389900000000 ] - [ -0.0012665900000000, 0.0025751300000000, 0.0005921100000000 ] - [ 0.0003965700000000, -0.0001523500000000, -0.0000792700000000 ] - [ 0.0001382100000000, 0.0000705600000000, 0.0000345300000000 ] - [ 0.0002472600000000, 0.0000793300000000, 0.0004021000000000 ] - [ 0.0007496200000000, 0.0027903100000000, -0.0012760700000000 ] - [ 0.0004276700000000, -0.0011167700000000, -0.0008730700000000 ] - [ 0.0000681000000000, -0.0004336800000000, 0.0006943800000000 ] - [ 0.0003533500000000, -0.0002865000000000, 0.0004638600000000 ] - [ 0.0000554300000000, 0.0000553500000000, 0.0000179500000000 ] - [ 0.0004595800000000, 0.0002287300000000, -0.0000372000000000 ] - [ -0.0000865100000000, -0.0000289600000000, -0.0000059300000000 ] - [ -0.0009101800000000, -0.0006178200000000, -0.0005309100000000 ] - [ -0.0025563100000000, 0.0002060400000000, -0.0010839900000000 ] - [ -0.0012836700000000, -0.0003765700000000, -0.0003410300000000 ] - [ -0.0002430100000000, -0.0001283000000000, -0.0001111500000000 ] - [ -0.0000468800000000, -0.0000549600000000, -0.0001008700000000 ] - [ -0.0001670900000000, -0.0000698000000000, 0.0000117200000000 ] - [ -0.0009779400000000, 0.0002024000000000, -0.0001947600000000 ] - [ -0.0014652700000000, 0.0001621500000000, -0.0003492400000000 ] - [ -0.0008224900000000, 0.0009854700000000, -0.0006982100000000 ] - [ -0.0023758800000000, -0.0018068900000000, -0.0007263200000000 ] - [ -0.0012935700000000, 0.0001767900000000, -0.0007159700000000 ] - [ -0.0015750700000000, 0.0008410900000000, -0.0002906400000000 ] - [ 0.0065830700000000, -0.0007549800000000, 0.0083013300000000 ] - [ -0.0006413000000000, -0.0007885100000000, -0.0000971900000000 ] - [ -0.0011312700000000, -0.0013004000000000, -0.0003223000000000 ] - [ -0.0023386800000000, 0.0020541400000000, -0.0007839400000000 ] - [ -0.0014638600000000, 0.0002131100000000, -0.0001721300000000 ] - [ 0.0018411600000000, -0.0020779000000000, 0.0015574800000000 ] - [ -0.0015101300000000, -0.0002195300000000, -0.0009787900000000 ] - [ -0.0017940600000000, -0.0001953600000000, 0.0001690700000000 ] - [ 0.0009556300000000, 0.0000203100000000, 0.0003684800000000 ] - [ 0.0001588400000000, -0.0000598100000000, -0.0000472800000000 ] - [ 0.0129856600000000, -0.0015516500000000, 0.0013799400000000 ] - [ 0.0180996300000000, -0.0090808500000000, 0.0034684400000000 ] - [ 0.0023826100000000, 0.0013930400000000, -0.0006466700000000 ] - [ 0.0209396700000000, 0.0149678900000000, 0.0049422700000000 ] - [ 0.0017842000000000, 0.0019616300000000, 0.0021127300000000 ] - [ 0.0001978900000000, -0.0002116200000000, 0.0000237700000000 ] - [ -0.0000991600000000, -0.0002306900000000, 0.0000119000000000 ] - [ -0.0000269100000000, 0.0003331300000000, -0.0000227900000000 ] - [ 0.0000531700000000, 0.0000088000000000, 0.0000378800000000 ] - [ 0.0012574500000000, -0.0020457000000000, 0.0012579900000000 ] - [ 0.0005004500000000, -0.0022239500000000, -0.0003988400000000 ] - [ 0.0002339000000000, 0.0001730800000000, 0.0001517600000000 ] - [ 0.0003655300000000, -0.0002537900000000, -0.0001643400000000 ] - [ -0.0000109400000000, 0.0000916700000000, 0.0000181000000000 ] - [ -0.0001152900000000, -0.0000074900000000, -0.0000494600000000 ] - [ -0.0000786600000000, -0.0000406300000000, -0.0000995700000000 ] - [ -0.0010631100000000, -0.0001043200000000, -0.0002235000000000 ] - [ -0.0013316100000000, 0.0001749500000000, -0.0005793900000000 ] - [ 0.0000067200000000, -0.0000277300000000, 0.0000726800000000 ] - [ -0.0000419000000000, -0.0000036000000000, 0.0000329700000000 ] - [ -0.0004218800000000, 0.0005567600000000, 0.0000401900000000 ] - [ -0.0001240600000000, -0.0000605000000000, -0.0001211800000000 ] - [ -0.0002662500000000, 0.0004654400000000, -0.0000718700000000 ]- atom: 13 displacement: [ -0.0099999418370919, 0.0000000000000000, -0.0000341065210551 ] forces: - [ 0.0001068500000000, 0.0014314800000000, 0.0001277000000000 ] - [ 0.0000430800000000, -0.0019045200000000, 0.0002688700000000 ] - [ 0.0000049300000000, -0.0000525800000000, -0.0000176300000000 ] - [ -0.0000245300000000, -0.0000172200000000, -0.0000190100000000 ] - [ -0.0010018800000000, 0.0000883400000000, 0.0000116000000000 ] - [ 0.0051653900000000, -0.0039484000000000, 0.0129104500000000 ] - [ 0.0028805600000000, 0.0006691200000000, 0.0012739200000000 ] - [ -0.0014104400000000, -0.0003550000000000, -0.0003706600000000 ] - [ 0.0001444300000000, -0.0001843400000000, 0.0000759000000000 ] - [ -0.0003251600000000, -0.0002645100000000, -0.0001217000000000 ] - [ -0.0009375600000000, 0.0005181400000000, -0.0001597700000000 ] - [ -0.0001063500000000, -0.0007365400000000, -0.0000682700000000 ] - [ 0.0720271400000000, 0.0068123100000000, 0.0101211300000000 ] - [ -0.0021589300000000, 0.0001718600000000, -0.0011859500000000 ] - [ -0.0016533400000000, 0.0015488300000000, -0.0001765600000000 ] - [ -0.0011374300000000, 0.0017587000000000, -0.0007227400000000 ] - [ -0.0010202600000000, -0.0018515300000000, -0.0004443700000000 ] - [ -0.0026525300000000, 0.0041651000000000, -0.0070393700000000 ] - [ -0.0101005100000000, 0.0087943900000000, 0.0033974000000000 ] - [ -0.0071797600000000, 0.0002562000000000, -0.0023515400000000 ] - [ 0.0049447200000000, 0.0022867000000000, 0.0012015400000000 ] - [ 0.0000579700000000, -0.0002712500000000, -0.0000116000000000 ] - [ -0.0026594500000000, 0.0001992900000000, -0.0002789400000000 ] - [ 0.0001734000000000, 0.0000092900000000, 0.0000182800000000 ] - [ 0.0028947200000000, 0.0000282200000000, 0.0007114900000000 ] - [ 0.0049551700000000, -0.0020960800000000, 0.0019890500000000 ] - [ 0.0002187700000000, 0.0000942000000000, 0.0000774000000000 ] - [ 0.0001427700000000, -0.0003784900000000, 0.0000801400000000 ] - [ -0.0000475200000000, -0.0000997500000000, -0.0000223800000000 ] - [ 0.0002596900000000, -0.0001354800000000, 0.0000431000000000 ] - [ 0.0000924700000000, 0.0007233300000000, -0.0001180500000000 ] - [ -0.0000069600000000, 0.0007804800000000, 0.0000828000000000 ] - [ -0.0003095800000000, -0.0007273100000000, -0.0000160400000000 ] - [ 0.0000700700000000, 0.0002329400000000, 0.0000726000000000 ] - [ 0.0000400200000000, 0.0002075400000000, 0.0001236500000000 ] - [ -0.0001219300000000, -0.0001339600000000, -0.0000177600000000 ] - [ -0.0005146400000000, 0.0003218800000000, -0.0002318700000000 ] - [ -0.0073969800000000, -0.0084581800000000, 0.0030914700000000 ] - [ 0.0002811400000000, -0.0002265000000000, -0.0000581700000000 ] - [ -0.0022356800000000, -0.0002610500000000, -0.0010930300000000 ] - [ -0.0007626200000000, 0.0000056400000000, -0.0002130400000000 ] - [ -0.0006427600000000, -0.0000913600000000, -0.0002170600000000 ] - [ -0.0023922700000000, -0.0001055900000000, -0.0003150500000000 ] - [ -0.0028323500000000, -0.0042685300000000, -0.0063235300000000 ] - [ 0.0013649700000000, -0.0027504100000000, -0.0005023800000000 ] - [ -0.0002902600000000, 0.0003499200000000, 0.0001612500000000 ] - [ -0.0000273500000000, 0.0001183700000000, 0.0000002500000000 ] - [ -0.0003475000000000, 0.0001193000000000, -0.0004804000000000 ] - [ -0.0008308000000000, -0.0029741500000000, 0.0011853700000000 ] - [ -0.0003201300000000, 0.0011080500000000, 0.0007919900000000 ] - [ -0.0001608500000000, 0.0004523500000000, -0.0006286000000000 ] - [ -0.0004605100000000, 0.0000943400000000, -0.0004951600000000 ] - [ -0.0001645300000000, 0.0001333200000000, -0.0000520700000000 ] - [ -0.0003456900000000, -0.0004172200000000, 0.0000724800000000 ] - [ 0.0001886700000000, -0.0001727200000000, 0.0000896200000000 ] - [ 0.0009959000000000, 0.0008162800000000, 0.0006149400000000 ] - [ 0.0026812500000000, -0.0000188900000000, 0.0011295100000000 ] - [ 0.0011683500000000, 0.0005782700000000, 0.0002522700000000 ] - [ 0.0001373600000000, -0.0000743500000000, 0.0000269800000000 ] - [ 0.0001552500000000, 0.0000530200000000, 0.0000192200000000 ] - [ 0.0000555600000000, 0.0000680400000000, 0.0000695400000000 ] - [ 0.0008588600000000, -0.0003925000000000, 0.0001570100000000 ] - [ 0.0013397700000000, 0.0000298000000000, 0.0003076600000000 ] - [ 0.0009107300000000, -0.0011612600000000, 0.0007310300000000 ] - [ 0.0023453800000000, 0.0017847800000000, 0.0006603800000000 ] - [ 0.0010852500000000, -0.0001379500000000, 0.0004870900000000 ] - [ 0.0013137800000000, -0.0005180400000000, 0.0001290300000000 ] - [ -0.0062839400000000, 0.0007858300000000, -0.0083499600000000 ] - [ 0.0006845400000000, 0.0007298500000000, 0.0003506900000000 ] - [ 0.0008662200000000, 0.0009706900000000, 0.0001587600000000 ] - [ 0.0023643500000000, -0.0019765400000000, 0.0010309100000000 ] - [ 0.0012050700000000, -0.0002361100000000, 0.0000762400000000 ] - [ -0.0015653700000000, 0.0023543300000000, -0.0014029200000000 ] - [ 0.0012545800000000, 0.0002413400000000, 0.0008710600000000 ] - [ 0.0015827800000000, 0.0001547500000000, -0.0003869100000000 ] - [ -0.0006922800000000, -0.0003370700000000, -0.0002043600000000 ] - [ -0.0002091600000000, 0.0000157400000000, -0.0002062500000000 ] - [ -0.0131558000000000, 0.0015435900000000, -0.0007527400000000 ] - [ -0.0184823400000000, 0.0097397600000000, -0.0035611600000000 ] - [ -0.0021149700000000, -0.0014024000000000, 0.0007333800000000 ] - [ -0.0213516100000000, -0.0156723100000000, -0.0053813000000000 ] - [ -0.0015784300000000, -0.0019145900000000, -0.0018736200000000 ] - [ -0.0002047000000000, 0.0002085800000000, -0.0000824900000000 ] - [ -0.0000964500000000, 0.0002668800000000, -0.0002287300000000 ] - [ -0.0002263900000000, -0.0000176600000000, -0.0001398000000000 ] - [ 0.0001928400000000, 0.0000143500000000, 0.0000603900000000 ] - [ -0.0012075800000000, 0.0019798000000000, -0.0009853100000000 ] - [ -0.0007444400000000, 0.0018926500000000, 0.0002238600000000 ] - [ -0.0001820300000000, -0.0001219300000000, 0.0001038300000000 ] - [ -0.0006042600000000, 0.0002237600000000, 0.0000650900000000 ] - [ 0.0002638900000000, 0.0002206400000000, 0.0001434900000000 ] - [ -0.0001322100000000, 0.0000301700000000, -0.0000485500000000 ] - [ -0.0001220200000000, -0.0000016400000000, -0.0001253400000000 ] - [ 0.0013033800000000, -0.0001985600000000, 0.0003820000000000 ] - [ 0.0012758000000000, -0.0002189000000000, 0.0003238200000000 ] - [ 0.0001933300000000, -0.0000147900000000, 0.0001516000000000 ] - [ 0.0000502800000000, 0.0000029500000000, 0.0000266300000000 ] - [ 0.0006606400000000, -0.0005757700000000, 0.0000569400000000 ] - [ 0.0000725600000000, 0.0001091000000000, -0.0001340000000000 ] - [ 0.0004584200000000, -0.0004205900000000, 0.0002933400000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000385500000000, -0.0024215700000000, 0.0000664900000000 ] - [ -0.0001488100000000, 0.0009719500000000, 0.0001689400000000 ] - [ -0.0000111900000000, 0.0005725000000000, -0.0000099000000000 ] - [ 0.0000452700000000, 0.0006016600000000, 0.0000197000000000 ] - [ 0.0008330100000000, -0.0035209000000000, 0.0003625600000000 ] - [ 0.0005402100000000, -0.0075394500000000, -0.0004236300000000 ] - [ 0.0004898400000000, 0.0028005100000000, 0.0002078300000000 ] - [ 0.0020087300000000, 0.0008460400000000, 0.0006037700000000 ] - [ -0.0001841800000000, 0.0018108200000000, -0.0000353500000000 ] - [ 0.0000823900000000, 0.0014319500000000, 0.0000387200000000 ] - [ 0.0000355600000000, 0.0007750500000000, -0.0000256200000000 ] - [ 0.0012056800000000, 0.0026415800000000, 0.0005389300000000 ] - [ -0.0059061200000000, -0.0684449100000000, -0.0032626900000000 ] - [ -0.0002959000000000, -0.0021493300000000, -0.0003201400000000 ] - [ -0.0021984900000000, 0.0006817000000000, -0.0007252100000000 ] - [ -0.0025898100000000, 0.0006803600000000, -0.0006529300000000 ] - [ 0.0018474600000000, 0.0006281800000000, 0.0005334000000000 ] - [ -0.0061957700000000, -0.0018781200000000, -0.0116278700000000 ] - [ -0.0118736500000000, -0.0019339800000000, 0.0068800300000000 ] - [ 0.0002266600000000, -0.0058706600000000, 0.0000171600000000 ] - [ 0.0023150800000000, 0.0150402900000000, 0.0009162600000000 ] - [ 0.0004034800000000, 0.0017610400000000, 0.0000989100000000 ] - [ -0.0002739500000000, -0.0022626700000000, -0.0000512400000000 ] - [ 0.0001377300000000, 0.0024077600000000, -0.0000172000000000 ] - [ 0.0003618600000000, 0.0013359500000000, -0.0007123100000000 ] - [ -0.0024213100000000, 0.0146463000000000, -0.0011887900000000 ] - [ 0.0001176700000000, 0.0026472800000000, 0.0000846600000000 ] - [ 0.0002505600000000, 0.0018804500000000, 0.0001298700000000 ] - [ 0.0001146300000000, 0.0022186600000000, -0.0000164000000000 ] - [ 0.0000379000000000, 0.0025468300000000, -0.0000669400000000 ] - [ -0.0007353500000000, 0.0022452400000000, -0.0006604000000000 ] - [ -0.0009276700000000, 0.0022661800000000, 0.0001448300000000 ] - [ 0.0007154300000000, 0.0029874900000000, 0.0001346100000000 ] - [ -0.0003462200000000, 0.0020695300000000, -0.0000615800000000 ] - [ -0.0002586700000000, 0.0020521900000000, 0.0000378400000000 ] - [ -0.0001488800000000, 0.0025445400000000, 0.0000122700000000 ] - [ 0.0003362600000000, 0.0017656700000000, 0.0001282700000000 ] - [ 0.0111101900000000, 0.0009560500000000, -0.0071559300000000 ] - [ -0.0000801200000000, 0.0028112800000000, -0.0001588100000000 ] - [ 0.0004925100000000, -0.0022493500000000, 0.0001216600000000 ] - [ -0.0002552400000000, 0.0011634700000000, -0.0002207600000000 ] - [ -0.0002176500000000, 0.0011581600000000, 0.0000492500000000 ] - [ 0.0003850900000000, -0.0024398600000000, 0.0001239200000000 ] - [ 0.0058699000000000, -0.0012449200000000, 0.0121203300000000 ] - [ 0.0027044800000000, 0.0001054700000000, 0.0000258100000000 ] - [ -0.0005561700000000, -0.0012501800000000, -0.0000390900000000 ] - [ 0.0000107800000000, -0.0012710200000000, -0.0000353700000000 ] - [ -0.0003918800000000, -0.0016212700000000, -0.0004874800000000 ] - [ 0.0015295900000000, 0.0001350300000000, 0.0012773500000000 ] - [ -0.0002354900000000, 0.0016923800000000, -0.0003970600000000 ] - [ -0.0007058200000000, 0.0015890000000000, 0.0001211200000000 ] - [ 0.0001293600000000, -0.0020283600000000, 0.0006976400000000 ] - [ -0.0000086000000000, -0.0014316900000000, 0.0000347800000000 ] - [ 0.0006577000000000, -0.0014528800000000, 0.0000473900000000 ] - [ 0.0003688900000000, -0.0013238700000000, 0.0001297600000000 ] - [ -0.0013857100000000, -0.0003747900000000, -0.0003287100000000 ] - [ 0.0003872900000000, 0.0041952100000000, 0.0002628300000000 ] - [ -0.0018494700000000, -0.0007343900000000, -0.0005395400000000 ] - [ 0.0001188600000000, -0.0011997900000000, 0.0000096900000000 ] - [ -0.0000374800000000, -0.0010950700000000, -0.0000787300000000 ] - [ -0.0001678400000000, -0.0011110000000000, -0.0000070600000000 ] - [ 0.0011055500000000, -0.0002885700000000, 0.0003091400000000 ] - [ 0.0001888100000000, 0.0032548900000000, -0.0001244200000000 ] - [ 0.0017285600000000, -0.0010568200000000, 0.0005246900000000 ] - [ 0.0001792900000000, 0.0020679200000000, 0.0000769200000000 ] - [ -0.0013237300000000, 0.0003811000000000, -0.0008271400000000 ] - [ -0.0005262200000000, 0.0028808500000000, -0.0001899400000000 ] - [ -0.0015988500000000, 0.0081246400000000, 0.0010185800000000 ] - [ -0.0000503800000000, -0.0013423600000000, 0.0001622900000000 ] - [ -0.0007859300000000, -0.0016197100000000, -0.0002986900000000 ] - [ -0.0003078900000000, 0.0025330400000000, 0.0000977000000000 ] - [ -0.0015014500000000, 0.0003169000000000, -0.0000663200000000 ] - [ 0.0022366300000000, 0.0057014300000000, 0.0003079100000000 ] - [ 0.0001772200000000, 0.0019463400000000, -0.0004511600000000 ] - [ -0.0000659700000000, 0.0018511200000000, 0.0002961500000000 ] - [ 0.0004794000000000, -0.0030886600000000, 0.0001776500000000 ] - [ 0.0016987600000000, -0.0036388500000000, 0.0003497500000000 ] - [ -0.0013501200000000, 0.0084399500000000, -0.0004457500000000 ] - [ -0.0045090500000000, 0.0119079100000000, -0.0012008100000000 ] - [ 0.0000006900000000, -0.0014383700000000, 0.0017722700000000 ] - [ 0.0090647900000000, 0.0200150600000000, 0.0030967500000000 ] - [ 0.0009533800000000, -0.0014399700000000, -0.0015517900000000 ] - [ -0.0000632500000000, -0.0017630900000000, -0.0000119000000000 ] - [ -0.0005438100000000, -0.0021268700000000, -0.0001611900000000 ] - [ 0.0002810300000000, -0.0021704200000000, 0.0001566800000000 ] - [ 0.0006163900000000, -0.0014340900000000, -0.0001822000000000 ] - [ -0.0019376300000000, -0.0024888000000000, 0.0019113800000000 ] - [ -0.0014004200000000, -0.0026006000000000, -0.0018969100000000 ] - [ 0.0003135700000000, -0.0019015400000000, 0.0000166300000000 ] - [ 0.0004330600000000, -0.0019397200000000, -0.0003661700000000 ] - [ -0.0002708600000000, -0.0016457000000000, -0.0000723200000000 ] - [ -0.0006736900000000, -0.0016524000000000, 0.0002260200000000 ] - [ -0.0003534400000000, -0.0016430200000000, -0.0005867100000000 ] - [ 0.0009379600000000, 0.0001914400000000, 0.0002571700000000 ] - [ 0.0015272700000000, 0.0002403600000000, 0.0003270100000000 ] - [ 0.0003351900000000, -0.0013954000000000, 0.0005078100000000 ] - [ 0.0001696800000000, -0.0014874000000000, 0.0001156500000000 ] - [ -0.0000823700000000, -0.0010423700000000, 0.0001003000000000 ] - [ -0.0003843700000000, -0.0014761600000000, -0.0001480900000000 ] - [ -0.0001218200000000, -0.0009858100000000, -0.0000668200000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000431200000000, 0.0023728800000000, -0.0000811600000000 ] - [ 0.0001481100000000, -0.0009336600000000, -0.0001519300000000 ] - [ 0.0000139900000000, -0.0006032600000000, -0.0000059700000000 ] - [ -0.0000501400000000, -0.0005690400000000, -0.0000037700000000 ] - [ -0.0004271300000000, 0.0031268500000000, -0.0002023700000000 ] - [ -0.0010206100000000, 0.0072334000000000, 0.0002482900000000 ] - [ -0.0008745000000000, -0.0023959900000000, -0.0003583200000000 ] - [ -0.0016100300000000, -0.0004455300000000, -0.0004551700000000 ] - [ 0.0005779200000000, -0.0022149100000000, 0.0001911800000000 ] - [ -0.0004825400000000, -0.0018381700000000, -0.0001864200000000 ] - [ -0.0004451100000000, -0.0003630600000000, -0.0001330000000000 ] - [ -0.0008003400000000, -0.0022334300000000, -0.0003954000000000 ] - [ 0.0078196500000000, 0.0687557600000000, 0.0038121300000000 ] - [ 0.0004057800000000, 0.0021473100000000, 0.0002205200000000 ] - [ 0.0022126600000000, -0.0006629300000000, 0.0008266800000000 ] - [ 0.0026914700000000, -0.0006233300000000, 0.0006284800000000 ] - [ -0.0019992200000000, -0.0005157200000000, -0.0005504000000000 ] - [ 0.0060629800000000, 0.0018433300000000, 0.0116655400000000 ] - [ 0.0117848200000000, 0.0018971300000000, -0.0066416100000000 ] - [ -0.0004179100000000, 0.0057571700000000, -0.0000446800000000 ] - [ -0.0021706800000000, -0.0147693500000000, -0.0009005400000000 ] - [ -0.0003081300000000, -0.0018170700000000, -0.0001233700000000 ] - [ 0.0003063300000000, 0.0022609400000000, -0.0001487900000000 ] - [ -0.0001472600000000, -0.0024223300000000, -0.0000817900000000 ] - [ -0.0003761400000000, -0.0013125200000000, 0.0006173600000000 ] - [ 0.0023196300000000, -0.0147491900000000, 0.0012145900000000 ] - [ -0.0002090900000000, -0.0026977300000000, -0.0000572100000000 ] - [ -0.0002379700000000, -0.0018975700000000, -0.0000305800000000 ] - [ 0.0000429000000000, -0.0023396500000000, 0.0000353700000000 ] - [ 0.0000741700000000, -0.0025479700000000, -0.0000323400000000 ] - [ 0.0007401600000000, -0.0022334700000000, 0.0007549100000000 ] - [ 0.0010142200000000, -0.0022132100000000, -0.0001693100000000 ] - [ -0.0008732800000000, -0.0028704800000000, -0.0001518000000000 ] - [ 0.0002354400000000, -0.0020692400000000, 0.0001605100000000 ] - [ 0.0002217100000000, -0.0020531700000000, 0.0001612400000000 ] - [ -0.0000094200000000, -0.0026646500000000, -0.0000309600000000 ] - [ -0.0001819100000000, -0.0016432900000000, -0.0001108800000000 ] - [ -0.0110820000000000, -0.0009971600000000, 0.0071680900000000 ] - [ 0.0001188100000000, -0.0028154800000000, -0.0000373200000000 ] - [ -0.0005065200000000, 0.0022392000000000, -0.0002211600000000 ] - [ 0.0002441300000000, -0.0011527300000000, 0.0001226400000000 ] - [ 0.0001237400000000, -0.0011094700000000, -0.0000236500000000 ] - [ -0.0004806000000000, 0.0023924300000000, -0.0000984100000000 ] - [ -0.0058881200000000, 0.0012553100000000, -0.0120846800000000 ] - [ -0.0026000500000000, -0.0003338300000000, 0.0000544400000000 ] - [ 0.0006490900000000, 0.0014493800000000, 0.0001265400000000 ] - [ 0.0000943600000000, 0.0014578500000000, 0.0000679200000000 ] - [ 0.0002915200000000, 0.0018187200000000, 0.0003977600000000 ] - [ -0.0016162800000000, -0.0003995600000000, -0.0013273900000000 ] - [ 0.0003706000000000, -0.0016286200000000, 0.0003451000000000 ] - [ 0.0006243100000000, -0.0015370700000000, -0.0000459700000000 ] - [ -0.0002363800000000, 0.0018471000000000, -0.0007356700000000 ] - [ -0.0000983100000000, 0.0016184800000000, -0.0000679600000000 ] - [ -0.0005540700000000, 0.0012684400000000, -0.0000138800000000 ] - [ -0.0002686400000000, 0.0011261300000000, -0.0000418200000000 ] - [ 0.0014782400000000, 0.0005701700000000, 0.0004162300000000 ] - [ -0.0002734300000000, -0.0040116400000000, -0.0002286200000000 ] - [ 0.0017606100000000, 0.0009392200000000, 0.0004538200000000 ] - [ -0.0002155600000000, 0.0010010600000000, -0.0000966700000000 ] - [ 0.0001575700000000, 0.0010793800000000, -0.0000371700000000 ] - [ 0.0000493000000000, 0.0010950200000000, 0.0001240600000000 ] - [ -0.0012096000000000, 0.0001040800000000, -0.0003402000000000 ] - [ -0.0002906800000000, -0.0030714800000000, 0.0000938700000000 ] - [ -0.0016289700000000, 0.0008830200000000, -0.0004943800000000 ] - [ -0.0001844500000000, -0.0020531200000000, -0.0001347900000000 ] - [ 0.0011209600000000, -0.0003365700000000, 0.0005960500000000 ] - [ 0.0002717600000000, -0.0025792600000000, 0.0000255400000000 ] - [ 0.0018415000000000, -0.0081108800000000, -0.0009496700000000 ] - [ 0.0000992900000000, 0.0012947700000000, 0.0000941100000000 ] - [ 0.0005355800000000, 0.0013210500000000, 0.0001363400000000 ] - [ 0.0003643500000000, -0.0025001600000000, 0.0001605900000000 ] - [ 0.0012492400000000, -0.0003388700000000, -0.0000267500000000 ] - [ -0.0019904800000000, -0.0054464800000000, -0.0001432200000000 ] - [ -0.0004301400000000, -0.0019270200000000, 0.0003667400000000 ] - [ -0.0001314800000000, -0.0018975200000000, -0.0005345300000000 ] - [ -0.0002280600000000, 0.0027809800000000, -0.0000136800000000 ] - [ -0.0017287200000000, 0.0035707700000000, -0.0005989500000000 ] - [ 0.0015514100000000, -0.0085035400000000, 0.0006812500000000 ] - [ 0.0038441200000000, -0.0110100400000000, 0.0010640200000000 ] - [ 0.0002577500000000, 0.0014168400000000, -0.0016704000000000 ] - [ -0.0100367000000000, -0.0212759100000000, -0.0036773800000000 ] - [ -0.0007422000000000, 0.0014820900000000, 0.0017755200000000 ] - [ 0.0000519400000000, 0.0017639000000000, -0.0000484500000000 ] - [ 0.0003482700000000, 0.0021772600000000, -0.0000598800000000 ] - [ -0.0005335600000000, 0.0024770600000000, -0.0003191200000000 ] - [ -0.0003634100000000, 0.0014584700000000, 0.0002739600000000 ] - [ 0.0020022200000000, 0.0024367400000000, -0.0016590100000000 ] - [ 0.0011573900000000, 0.0022892400000000, 0.0017381100000000 ] - [ -0.0002637500000000, 0.0019539700000000, 0.0002380600000000 ] - [ -0.0006853900000000, 0.0019161100000000, 0.0002732000000000 ] - [ 0.0005243700000000, 0.0019571400000000, 0.0002353100000000 ] - [ 0.0004217500000000, 0.0016761100000000, -0.0003181700000000 ] - [ 0.0001518300000000, 0.0016018100000000, 0.0003563300000000 ] - [ -0.0006859700000000, -0.0005010600000000, -0.0000932400000000 ] - [ -0.0015785600000000, -0.0002955900000000, -0.0005831300000000 ] - [ -0.0001323900000000, 0.0013540200000000, -0.0002756300000000 ] - [ -0.0001583900000000, 0.0014875000000000, -0.0000556400000000 ] - [ 0.0003346100000000, 0.0010180400000000, -0.0000064800000000 ] - [ 0.0003347700000000, 0.0015315200000000, -0.0001079300000000 ] - [ 0.0003238000000000, 0.0010278400000000, 0.0002963200000000 ]- atom: 13 displacement: [ -0.0028145825136884, 0.0000000000000000, 0.0095957347438140 ] forces: - [ -0.0003126400000000, 0.0001213600000000, 0.0013977600000000 ] - [ -0.0004122400000000, 0.0000546800000000, 0.0016017400000000 ] - [ 0.0000025900000000, -0.0000261200000000, -0.0000089400000000 ] - [ -0.0000076400000000, 0.0000087100000000, -0.0000054200000000 ] - [ 0.0002687400000000, -0.0002062100000000, 0.0005098900000000 ] - [ -0.0114384500000000, 0.0000109000000000, 0.0373816600000000 ] - [ -0.0007448300000000, 0.0001279300000000, 0.0013157000000000 ] - [ 0.0002091800000000, 0.0002198300000000, 0.0000643800000000 ] - [ 0.0002235200000000, -0.0002533000000000, 0.0000849200000000 ] - [ -0.0002121000000000, -0.0002122700000000, -0.0000737400000000 ] - [ -0.0002293900000000, 0.0003013900000000, -0.0000701500000000 ] - [ 0.0003243200000000, 0.0003770200000000, 0.0001393400000000 ] - [ 0.0108562300000000, -0.0015646700000000, -0.0289399800000000 ] - [ 0.0003414400000000, 0.0000234700000000, 0.0000818200000000 ] - [ -0.0002295900000000, 0.0001161600000000, 0.0009160800000000 ] - [ 0.0004455600000000, 0.0001642800000000, -0.0010355800000000 ] - [ 0.0000823200000000, 0.0000418600000000, -0.0006500800000000 ] - [ 0.0070401100000000, -0.0072552600000000, 0.0016975700000000 ] - [ -0.0068454300000000, 0.0081051000000000, -0.0027305700000000 ] - [ 0.0001695000000000, -0.0000039600000000, -0.0014525600000000 ] - [ 0.0002985100000000, -0.0002042500000000, -0.0018777200000000 ] - [ 0.0000464900000000, -0.0000447900000000, -0.0000299600000000 ] - [ -0.0001864600000000, 0.0000030900000000, -0.0001391300000000 ] - [ -0.0000176200000000, -0.0000488800000000, -0.0000412500000000 ] - [ -0.0007437400000000, -0.0003212200000000, 0.0008667600000000 ] - [ -0.0003594300000000, 0.0003360500000000, -0.0020206700000000 ] - [ -0.0000477100000000, -0.0000731200000000, -0.0000015700000000 ] - [ -0.0000062400000000, -0.0000280800000000, 0.0000649100000000 ] - [ 0.0000715100000000, -0.0000951800000000, 0.0000027400000000 ] - [ 0.0000169100000000, -0.0000580100000000, -0.0000279600000000 ] - [ 0.0001431700000000, -0.0003169600000000, 0.0000406500000000 ] - [ -0.0000101300000000, 0.0001966500000000, -0.0000999200000000 ] - [ -0.0001368600000000, -0.0000247400000000, -0.0000208400000000 ] - [ -0.0000527000000000, -0.0000209400000000, 0.0000668100000000 ] - [ 0.0000012900000000, -0.0000321600000000, 0.0000810500000000 ] - [ -0.0000805000000000, -0.0001007700000000, -0.0000099200000000 ] - [ 0.0001430100000000, 0.0000184600000000, 0.0000324800000000 ] - [ -0.0038029900000000, -0.0063800300000000, -0.0016729900000000 ] - [ -0.0000019200000000, -0.0000451700000000, -0.0001385600000000 ] - [ 0.0001662700000000, -0.0000328300000000, -0.0000064700000000 ] - [ -0.0000314000000000, 0.0000491500000000, -0.0000718100000000 ] - [ -0.0000044100000000, -0.0000365700000000, -0.0000016500000000 ] - [ -0.0000689600000000, 0.0000882000000000, 0.0000413500000000 ] - [ 0.0042072500000000, 0.0065095000000000, 0.0023050300000000 ] - [ 0.0009990600000000, -0.0009530100000000, 0.0003460400000000 ] - [ 0.0000885500000000, 0.0000919300000000, 0.0000231700000000 ] - [ 0.0000496500000000, 0.0001135900000000, 0.0000192200000000 ] - [ -0.0000259000000000, 0.0001494800000000, -0.0000595100000000 ] - [ -0.0005123700000000, 0.0004193300000000, 0.0006863900000000 ] - [ 0.0006039300000000, 0.0012125700000000, 0.0008815800000000 ] - [ -0.0003567500000000, -0.0008662600000000, 0.0000313100000000 ] - [ -0.0000553500000000, 0.0000485200000000, 0.0000103100000000 ] - [ -0.0000528500000000, 0.0001175300000000, -0.0000186800000000 ] - [ 0.0001402600000000, -0.0000970900000000, 0.0000173500000000 ] - [ 0.0000388800000000, -0.0000877700000000, 0.0000874800000000 ] - [ -0.0000571300000000, 0.0001353700000000, 0.0008615500000000 ] - [ -0.0002543200000000, 0.0001052700000000, 0.0008371200000000 ] - [ -0.0000344300000000, 0.0000316900000000, -0.0002358900000000 ] - [ -0.0000453600000000, -0.0000950500000000, -0.0000491900000000 ] - [ 0.0000656000000000, 0.0000307400000000, -0.0000562900000000 ] - [ -0.0000583700000000, 0.0000251700000000, 0.0000701500000000 ] - [ 0.0000238400000000, -0.0001181600000000, -0.0002163200000000 ] - [ -0.0000487100000000, 0.0000815700000000, -0.0002067000000000 ] - [ -0.0003950600000000, -0.0000895100000000, 0.0013748400000000 ] - [ -0.0000318200000000, 0.0000012900000000, -0.0000227800000000 ] - [ -0.0001330700000000, 0.0001957000000000, -0.0001055000000000 ] - [ -0.0001532600000000, 0.0001411800000000, -0.0003385200000000 ] - [ 0.0066505700000000, -0.0019593900000000, -0.0108656900000000 ] - [ 0.0000362700000000, -0.0000186000000000, 0.0001192100000000 ] - [ -0.0001188300000000, -0.0001492400000000, -0.0000850400000000 ] - [ -0.0000003800000000, -0.0000873100000000, 0.0001834600000000 ] - [ -0.0001624900000000, -0.0001451600000000, -0.0000234100000000 ] - [ 0.0018112900000000, 0.0003590200000000, -0.0040050300000000 ] - [ -0.0003034400000000, 0.0000809700000000, 0.0000972000000000 ] - [ -0.0001773900000000, -0.0001475700000000, -0.0001094700000000 ] - [ 0.0002117000000000, -0.0000714400000000, -0.0001091500000000 ] - [ -0.0000391400000000, 0.0000199200000000, -0.0001094400000000 ] - [ -0.0029660400000000, 0.0013193600000000, -0.0091421600000000 ] - [ -0.0026185800000000, 0.0013145000000000, 0.0060436700000000 ] - [ 0.0006486900000000, 0.0012078700000000, -0.0001403600000000 ] - [ -0.0018560400000000, -0.0005613700000000, 0.0063915500000000 ] - [ -0.0002341400000000, -0.0010392400000000, -0.0001565200000000 ] - [ 0.0000124200000000, 0.0000281900000000, -0.0000285600000000 ] - [ -0.0001085400000000, 0.0000299700000000, -0.0000830800000000 ] - [ -0.0001097800000000, 0.0002169100000000, -0.0000860900000000 ] - [ 0.0001345300000000, 0.0000172100000000, 0.0000397400000000 ] - [ -0.0005012000000000, 0.0001960700000000, 0.0002565100000000 ] - [ 0.0007035400000000, -0.0006185700000000, 0.0001659800000000 ] - [ 0.0000007300000000, 0.0000559600000000, 0.0001113800000000 ] - [ -0.0000681200000000, -0.0000186000000000, -0.0000962800000000 ] - [ 0.0001524900000000, 0.0001342500000000, 0.0000833100000000 ] - [ -0.0001127200000000, 0.0000453900000000, -0.0000526600000000 ] - [ -0.0000940700000000, 0.0000109500000000, -0.0001060000000000 ] - [ 0.0003694500000000, -0.0001810100000000, 0.0001817400000000 ] - [ -0.0003955600000000, -0.0002222800000000, -0.0001405700000000 ] - [ 0.0000956100000000, -0.0000086600000000, 0.0001199400000000 ] - [ -0.0000123900000000, -0.0000056600000000, 0.0000294400000000 ] - [ 0.0001178100000000, -0.0000047600000000, 0.0000863400000000 ] - [ -0.0000418700000000, 0.0000743700000000, -0.0001366700000000 ] - [ 0.0001060800000000, 0.0000455400000000, 0.0000644300000000 ]- atom: 13 displacement: [ 0.0028145825136884, 0.0000000000000000, -0.0095957347438140 ] forces: - [ 0.0003084600000000, -0.0001345800000000, -0.0014147500000000 ] - [ 0.0004119100000000, -0.0000182700000000, -0.0015842400000000 ] - [ 0.0000005600000000, -0.0000081900000000, -0.0000076900000000 ] - [ 0.0000042900000000, 0.0000216600000000, 0.0000211400000000 ] - [ 0.0001718300000000, -0.0002214100000000, -0.0003398700000000 ] - [ 0.0110252300000000, -0.0005390200000000, -0.0375245100000000 ] - [ 0.0003390000000000, 0.0002931100000000, -0.0014754600000000 ] - [ 0.0001980900000000, 0.0001986400000000, 0.0000856900000000 ] - [ 0.0001872200000000, -0.0001618000000000, 0.0000753400000000 ] - [ -0.0002020800000000, -0.0002039500000000, -0.0000773300000000 ] - [ -0.0001763300000000, 0.0001119800000000, -0.0000883200000000 ] - [ 0.0000878900000000, 0.0000406900000000, 0.0000123800000000 ] - [ -0.0100995000000000, 0.0013612200000000, 0.0288213800000000 ] - [ -0.0002392000000000, -0.0000243400000000, -0.0001772200000000 ] - [ 0.0002416900000000, -0.0001030300000000, -0.0008206800000000 ] - [ -0.0003463300000000, -0.0001094200000000, 0.0010128900000000 ] - [ -0.0002296800000000, 0.0000858700000000, 0.0006376100000000 ] - [ -0.0072149600000000, 0.0073314800000000, -0.0015559000000000 ] - [ 0.0067791800000000, -0.0080295300000000, 0.0028640600000000 ] - [ -0.0003447200000000, -0.0001269200000000, 0.0014322400000000 ] - [ -0.0001672400000000, 0.0002787900000000, 0.0018838300000000 ] - [ 0.0000501400000000, -0.0000076100000000, 0.0000071900000000 ] - [ 0.0002177400000000, -0.0000044200000000, -0.0000674800000000 ] - [ -0.0000007800000000, 0.0000360200000000, -0.0000573700000000 ] - [ 0.0007328000000000, 0.0003062700000000, -0.0009660600000000 ] - [ 0.0002364500000000, -0.0002147800000000, 0.0020266700000000 ] - [ -0.0000503300000000, 0.0000178800000000, 0.0000242300000000 ] - [ 0.0000239100000000, 0.0000149600000000, 0.0000319200000000 ] - [ 0.0000801100000000, -0.0000253400000000, 0.0000116600000000 ] - [ 0.0000855500000000, 0.0000595900000000, -0.0000643500000000 ] - [ -0.0001221700000000, 0.0003362900000000, 0.0000601300000000 ] - [ 0.0001106100000000, -0.0001375400000000, 0.0000762000000000 ] - [ -0.0000156100000000, 0.0001487000000000, 0.0000065300000000 ] - [ -0.0000516000000000, 0.0000230100000000, 0.0000253900000000 ] - [ -0.0000347400000000, 0.0000334400000000, 0.0001272600000000 ] - [ -0.0000711100000000, -0.0000201700000000, -0.0000041600000000 ] - [ 0.0000102700000000, 0.0001040200000000, -0.0000171200000000 ] - [ 0.0039074300000000, 0.0062699300000000, 0.0015679700000000 ] - [ 0.0000346100000000, 0.0000486900000000, -0.0000706900000000 ] - [ -0.0001854300000000, 0.0000142500000000, -0.0000952400000000 ] - [ 0.0000103600000000, -0.0000319100000000, -0.0000267700000000 ] - [ -0.0000946500000000, 0.0000937600000000, 0.0000242600000000 ] - [ -0.0000311100000000, -0.0001472700000000, -0.0000158600000000 ] - [ -0.0042318800000000, -0.0065922500000000, -0.0021368800000000 ] - [ -0.0008806200000000, 0.0007401400000000, -0.0002780900000000 ] - [ 0.0000103400000000, 0.0001116500000000, 0.0000672000000000 ] - [ 0.0000581200000000, 0.0000741100000000, 0.0000149000000000 ] - [ -0.0000729700000000, 0.0000552300000000, -0.0000288300000000 ] - [ 0.0004288500000000, -0.0006655800000000, -0.0007174000000000 ] - [ -0.0004655400000000, -0.0011727800000000, -0.0009212100000000 ] - [ 0.0002808400000000, 0.0008939300000000, 0.0000334600000000 ] - [ -0.0000523000000000, -0.0002401300000000, -0.0000391100000000 ] - [ -0.0000546100000000, 0.0000690600000000, -0.0000163300000000 ] - [ -0.0000310600000000, -0.0000930700000000, 0.0000176000000000 ] - [ 0.0000589600000000, -0.0001191700000000, 0.0000038500000000 ] - [ 0.0001562000000000, 0.0000723300000000, -0.0007711200000000 ] - [ 0.0003551000000000, 0.0000879400000000, -0.0008040500000000 ] - [ -0.0000650800000000, 0.0001662600000000, 0.0001474900000000 ] - [ -0.0000526300000000, -0.0001126100000000, -0.0000422500000000 ] - [ 0.0000559700000000, -0.0000104500000000, -0.0000622900000000 ] - [ -0.0000643100000000, -0.0000065100000000, 0.0000493800000000 ] - [ -0.0001290900000000, -0.0000730900000000, 0.0001821600000000 ] - [ -0.0000604000000000, 0.0001098200000000, 0.0001701900000000 ] - [ 0.0005050000000000, -0.0001109800000000, -0.0013395300000000 ] - [ 0.0000240200000000, 0.0000067800000000, -0.0000359000000000 ] - [ -0.0000729200000000, -0.0001540100000000, -0.0001216900000000 ] - [ -0.0001119500000000, 0.0001795300000000, 0.0001706900000000 ] - [ -0.0064612800000000, 0.0020178700000000, 0.0105048600000000 ] - [ 0.0000103000000000, -0.0000381500000000, 0.0001368300000000 ] - [ -0.0001357000000000, -0.0001585200000000, -0.0000786200000000 ] - [ 0.0000520500000000, 0.0001340700000000, 0.0000736500000000 ] - [ -0.0000919400000000, 0.0001219900000000, -0.0000729900000000 ] - [ -0.0015173300000000, 0.0000300400000000, 0.0041808900000000 ] - [ 0.0000362800000000, -0.0000597800000000, -0.0001858600000000 ] - [ -0.0000338500000000, 0.0001045300000000, -0.0001353900000000 ] - [ 0.0000456500000000, -0.0002404700000000, 0.0002744400000000 ] - [ -0.0000148500000000, -0.0000680400000000, -0.0001480800000000 ] - [ 0.0026768900000000, -0.0013348300000000, 0.0099283300000000 ] - [ 0.0026707100000000, -0.0013288300000000, -0.0059807600000000 ] - [ -0.0003922500000000, -0.0012385000000000, 0.0002310300000000 ] - [ 0.0018173900000000, 0.0006245000000000, -0.0066405100000000 ] - [ 0.0004372100000000, 0.0010749500000000, 0.0003931700000000 ] - [ -0.0000253200000000, -0.0000295800000000, -0.0000312200000000 ] - [ -0.0001003000000000, 0.0000104000000000, -0.0001503200000000 ] - [ -0.0001487600000000, 0.0000898500000000, -0.0000801300000000 ] - [ 0.0001234400000000, 0.0000009500000000, 0.0000525200000000 ] - [ 0.0005385100000000, -0.0002477600000000, 0.0000177200000000 ] - [ -0.0009646800000000, 0.0003096800000000, -0.0003459500000000 ] - [ 0.0000470500000000, -0.0000067400000000, 0.0001449300000000 ] - [ -0.0001851400000000, -0.0000054300000000, 0.0000014100000000 ] - [ 0.0001067100000000, 0.0001744700000000, 0.0000807700000000 ] - [ -0.0001445900000000, -0.0000269700000000, -0.0000418400000000 ] - [ -0.0001116400000000, -0.0000564100000000, -0.0001258900000000 ] - [ -0.0001116400000000, -0.0001255300000000, -0.0000176800000000 ] - [ 0.0003479400000000, 0.0001721200000000, -0.0001117000000000 ] - [ 0.0001096300000000, -0.0000366200000000, 0.0001125600000000 ] - [ 0.0000246900000000, 0.0000049900000000, 0.0000316000000000 ] - [ 0.0001376900000000, -0.0000182400000000, 0.0000086000000000 ] - [ -0.0000063100000000, -0.0000251300000000, -0.0001188500000000 ] - [ 0.0000976200000000, -0.0000018200000000, 0.0001653000000000 ]- atom: 14 displacement: [ 0.0099999418370919, 0.0000000000000000, 0.0000341065210551 ] forces: - [ -0.0000373500000000, 0.0001058100000000, -0.0000491800000000 ] - [ -0.0000373500000000, -0.0001058100000000, -0.0000491800000000 ] - [ -0.0000093600000000, -0.0000167200000000, -0.0000156000000000 ] - [ -0.0000093600000000, 0.0000167200000000, -0.0000156000000000 ] - [ 0.0123262200000000, 0.0086343200000000, -0.0091233300000000 ] - [ 0.0026957000000000, -0.0003503200000000, -0.0000982200000000 ] - [ 0.0026957000000000, 0.0003503200000000, -0.0000982200000000 ] - [ 0.0123262200000000, -0.0086343200000000, -0.0091233300000000 ] - [ 0.0000098500000000, 0.0001970200000000, 0.0000407000000000 ] - [ -0.0004656200000000, -0.0004140300000000, -0.0000806000000000 ] - [ -0.0004656200000000, 0.0004140300000000, -0.0000806000000000 ] - [ 0.0000098500000000, -0.0001970200000000, 0.0000407000000000 ] - [ 0.0023049100000000, -0.0004138600000000, 0.0009630300000000 ] - [ -0.0661348000000000, 0.0000000000000000, -0.0223926500000000 ] - [ 0.0003774700000000, 0.0016442100000000, -0.0000517800000000 ] - [ 0.0000719900000000, 0.0008060100000000, 0.0001021000000000 ] - [ 0.0025523300000000, -0.0061190200000000, 0.0081811500000000 ] - [ 0.0101560100000000, 0.0000000000000000, 0.0050942100000000 ] - [ 0.0032716500000000, 0.0000000000000000, 0.0004849000000000 ] - [ 0.0025523300000000, 0.0061190200000000, 0.0081811500000000 ] - [ 0.0023049100000000, 0.0004138600000000, 0.0009630300000000 ] - [ 0.0000719900000000, -0.0008060100000000, 0.0001021000000000 ] - [ -0.0113021300000000, 0.0000000000000000, -0.0067846500000000 ] - [ 0.0007685700000000, 0.0001429900000000, 0.0002563500000000 ] - [ 0.0007685700000000, -0.0001429900000000, 0.0002563500000000 ] - [ 0.0008716900000000, -0.0001518700000000, 0.0002053700000000 ] - [ 0.0008716900000000, 0.0001518700000000, 0.0002053700000000 ] - [ 0.0003774700000000, -0.0016442100000000, -0.0000517800000000 ] - [ -0.0001314200000000, -0.0000743800000000, -0.0000908700000000 ] - [ 0.0002681200000000, 0.0000000000000000, 0.0000228000000000 ] - [ 0.0010115600000000, 0.0021797300000000, 0.0004775800000000 ] - [ 0.0014451400000000, 0.0021201800000000, 0.0001525900000000 ] - [ -0.0002025800000000, -0.0002355700000000, -0.0000427600000000 ] - [ -0.0000285700000000, 0.0000000000000000, 0.0000176600000000 ] - [ -0.0000357700000000, 0.0000000000000000, 0.0001120400000000 ] - [ -0.0002025800000000, 0.0002355700000000, -0.0000427600000000 ] - [ -0.0001314200000000, 0.0000743800000000, -0.0000908700000000 ] - [ 0.0014451400000000, -0.0021201800000000, 0.0001525900000000 ] - [ 0.0002596100000000, 0.0000000000000000, -0.0000611700000000 ] - [ -0.0062592200000000, 0.0018067500000000, 0.0005153500000000 ] - [ -0.0062592200000000, -0.0018067500000000, 0.0005153500000000 ] - [ -0.0033524100000000, 0.0008228400000000, -0.0022020800000000 ] - [ -0.0033524100000000, -0.0008228400000000, -0.0022020800000000 ] - [ 0.0010115600000000, -0.0021797300000000, 0.0004775800000000 ] - [ -0.0006922100000000, -0.0009461900000000, -0.0000703500000000 ] - [ -0.0006922100000000, 0.0009461900000000, -0.0000703500000000 ] - [ -0.0000993100000000, 0.0002589200000000, 0.0000739600000000 ] - [ -0.0008167500000000, 0.0005017000000000, -0.0003537600000000 ] - [ -0.0008167500000000, -0.0005017000000000, -0.0003537600000000 ] - [ -0.0015436100000000, 0.0000000000000000, -0.0004875200000000 ] - [ -0.0010663500000000, 0.0000000000000000, -0.0002961500000000 ] - [ -0.0002579700000000, -0.0001228200000000, -0.0001108500000000 ] - [ -0.0002579700000000, 0.0001228200000000, -0.0001108500000000 ] - [ -0.0000993100000000, -0.0002589200000000, 0.0000739600000000 ] - [ 0.0004705100000000, -0.0003919300000000, 0.0002853900000000 ] - [ 0.0004705100000000, 0.0003919300000000, 0.0002853900000000 ] - [ -0.0002528100000000, 0.0008675900000000, -0.0008556000000000 ] - [ 0.0007170200000000, 0.0001073600000000, -0.0000273800000000 ] - [ 0.0007170200000000, -0.0001073600000000, -0.0000273800000000 ] - [ 0.0001364500000000, 0.0000000000000000, -0.0000302800000000 ] - [ 0.0000131800000000, 0.0000000000000000, 0.0000844700000000 ] - [ 0.0013317000000000, -0.0011879900000000, 0.0013088400000000 ] - [ 0.0013317000000000, 0.0011879900000000, 0.0013088400000000 ] - [ -0.0002528100000000, -0.0008675900000000, -0.0008556000000000 ] - [ 0.0151234200000000, 0.0000000000000000, 0.0122039700000000 ] - [ 0.0013664200000000, 0.0000024000000000, 0.0030088700000000 ] - [ 0.0005225000000000, -0.0060910900000000, 0.0024541200000000 ] - [ -0.0032425800000000, 0.0022052100000000, 0.0003159100000000 ] - [ 0.0020484500000000, 0.0016941500000000, -0.0002099300000000 ] - [ 0.0005225000000000, 0.0060910900000000, 0.0024541200000000 ] - [ 0.0020484500000000, -0.0016941500000000, -0.0002099300000000 ] - [ 0.0158082500000000, -0.0122705300000000, 0.0036331500000000 ] - [ -0.0010046500000000, 0.0004506500000000, -0.0001683900000000 ] - [ 0.0158082500000000, 0.0122705300000000, 0.0036331500000000 ] - [ 0.0013664200000000, -0.0000024000000000, 0.0030088700000000 ] - [ -0.0010046500000000, -0.0004506500000000, -0.0001683900000000 ] - [ -0.0012803900000000, -0.0000582100000000, -0.0004130800000000 ] - [ -0.0016288100000000, 0.0008906800000000, -0.0009322500000000 ] - [ -0.0028742700000000, 0.0000000000000000, -0.0022737900000000 ] - [ -0.0032425800000000, -0.0022052100000000, 0.0003159100000000 ] - [ -0.0012803900000000, 0.0000582100000000, -0.0004130800000000 ] - [ -0.0016288100000000, -0.0008906800000000, -0.0009322500000000 ] - [ -0.0001700900000000, 0.0000000000000000, -0.0000557500000000 ] - [ -0.0001753600000000, 0.0001397400000000, -0.0002191800000000 ] - [ -0.0004910400000000, -0.0008062800000000, -0.0001975300000000 ] - [ 0.0003802300000000, 0.0001807400000000, 0.0000805200000000 ] - [ -0.0008387100000000, 0.0010723900000000, -0.0000674000000000 ] - [ -0.0004910400000000, 0.0008062800000000, -0.0001975300000000 ] - [ -0.0008387100000000, -0.0010723900000000, -0.0000674000000000 ] - [ -0.0002575100000000, 0.0001237500000000, 0.0000055600000000 ] - [ 0.0003507700000000, 0.0002146300000000, 0.0001809300000000 ] - [ -0.0002575100000000, -0.0001237500000000, 0.0000055600000000 ] - [ -0.0001753600000000, -0.0001397400000000, -0.0002191800000000 ] - [ 0.0003507700000000, -0.0002146300000000, 0.0001809300000000 ] - [ 0.0007540100000000, 0.0001951200000000, 0.0001427400000000 ] - [ 0.0002344900000000, 0.0000899200000000, 0.0001442400000000 ] - [ 0.0000797300000000, 0.0000000000000000, 0.0000652700000000 ] - [ 0.0003802300000000, -0.0001807400000000, 0.0000805200000000 ] - [ 0.0007540100000000, -0.0001951200000000, 0.0001427400000000 ] - [ 0.0002344900000000, -0.0000899200000000, 0.0001442400000000 ]- atom: 14 displacement: [ -0.0099999418370919, 0.0000000000000000, -0.0000341065210551 ] forces: - [ 0.0000358400000000, -0.0001554300000000, 0.0000569600000000 ] - [ 0.0000358400000000, 0.0001554300000000, 0.0000569600000000 ] - [ 0.0000089100000000, -0.0000254400000000, 0.0000155500000000 ] - [ 0.0000089100000000, 0.0000254400000000, 0.0000155500000000 ] - [ -0.0119701900000000, -0.0090986400000000, 0.0092525500000000 ] - [ -0.0030847200000000, -0.0000688400000000, -0.0000658200000000 ] - [ -0.0030847200000000, 0.0000688400000000, -0.0000658200000000 ] - [ -0.0119701900000000, 0.0090986400000000, 0.0092525500000000 ] - [ 0.0003940300000000, -0.0006088300000000, 0.0001132300000000 ] - [ 0.0000584800000000, -0.0000016100000000, -0.0000744500000000 ] - [ 0.0000584800000000, 0.0000016100000000, -0.0000744500000000 ] - [ 0.0003940300000000, 0.0006088300000000, 0.0001132300000000 ] - [ -0.0021381100000000, 0.0002770000000000, -0.0009430600000000 ] - [ 0.0674424200000000, 0.0000000000000000, 0.0226518100000000 ] - [ -0.0003554800000000, -0.0016209300000000, 0.0001476200000000 ] - [ 0.0000229400000000, -0.0007483200000000, -0.0001226400000000 ] - [ -0.0026848800000000, 0.0062329200000000, -0.0082256100000000 ] - [ -0.0101116400000000, 0.0000000000000000, -0.0049266200000000 ] - [ -0.0033053700000000, 0.0000000000000000, -0.0002753200000000 ] - [ -0.0026848800000000, -0.0062329200000000, -0.0082256100000000 ] - [ -0.0021381100000000, -0.0002770000000000, -0.0009430600000000 ] - [ 0.0000229400000000, 0.0007483200000000, -0.0001226400000000 ] - [ 0.0113191600000000, 0.0000000000000000, 0.0065379800000000 ] - [ -0.0007851600000000, -0.0001586000000000, -0.0003521100000000 ] - [ -0.0007851600000000, 0.0001586000000000, -0.0003521100000000 ] - [ -0.0009622600000000, 0.0002037900000000, -0.0001828700000000 ] - [ -0.0009622600000000, -0.0002037900000000, -0.0001828700000000 ] - [ -0.0003554800000000, 0.0016209300000000, 0.0001476200000000 ] - [ 0.0002847900000000, -0.0000501100000000, 0.0001060800000000 ] - [ -0.0001653200000000, 0.0000000000000000, -0.0001146600000000 ] - [ -0.0009924100000000, -0.0021505100000000, -0.0003797700000000 ] - [ -0.0013493300000000, -0.0020592000000000, -0.0001752700000000 ] - [ 0.0000463600000000, 0.0003576800000000, 0.0000266600000000 ] - [ -0.0000741300000000, 0.0000000000000000, 0.0000715800000000 ] - [ 0.0000022000000000, 0.0000000000000000, 0.0000986200000000 ] - [ 0.0000463600000000, -0.0003576800000000, 0.0000266600000000 ] - [ 0.0002847900000000, 0.0000501100000000, 0.0001060800000000 ] - [ -0.0013493300000000, 0.0020592000000000, -0.0001752700000000 ] - [ -0.0002260500000000, 0.0000000000000000, -0.0001479000000000 ] - [ 0.0062239800000000, -0.0017983900000000, -0.0006111200000000 ] - [ 0.0062239800000000, 0.0017983900000000, -0.0006111200000000 ] - [ 0.0032428600000000, -0.0007691900000000, 0.0022149900000000 ] - [ 0.0032428600000000, 0.0007691900000000, 0.0022149900000000 ] - [ -0.0009924100000000, 0.0021505100000000, -0.0003797700000000 ] - [ 0.0007880400000000, 0.0007386400000000, 0.0001546500000000 ] - [ 0.0007880400000000, -0.0007386400000000, 0.0001546500000000 ] - [ 0.0002081000000000, -0.0000691700000000, -0.0000395700000000 ] - [ 0.0007104100000000, -0.0002984400000000, 0.0002670400000000 ] - [ 0.0007104100000000, 0.0002984400000000, 0.0002670400000000 ] - [ 0.0016723500000000, 0.0000000000000000, 0.0003752500000000 ] - [ 0.0009377900000000, 0.0000000000000000, 0.0004096100000000 ] - [ 0.0001471000000000, -0.0000667900000000, 0.0000758400000000 ] - [ 0.0001471000000000, 0.0000667900000000, 0.0000758400000000 ] - [ 0.0002081000000000, 0.0000691700000000, -0.0000395700000000 ] - [ -0.0003684200000000, 0.0001880000000000, -0.0001997400000000 ] - [ -0.0003684200000000, -0.0001880000000000, -0.0001997400000000 ] - [ 0.0003728600000000, -0.0006739000000000, 0.0008847000000000 ] - [ -0.0008163600000000, 0.0000939800000000, -0.0000577400000000 ] - [ -0.0008163600000000, -0.0000939800000000, -0.0000577400000000 ] - [ -0.0000182900000000, 0.0000000000000000, -0.0000797100000000 ] - [ -0.0001326600000000, 0.0000000000000000, 0.0000255600000000 ] - [ -0.0013706500000000, 0.0010568600000000, -0.0013642400000000 ] - [ -0.0013706500000000, -0.0010568600000000, -0.0013642400000000 ] - [ 0.0003728600000000, 0.0006739000000000, 0.0008847000000000 ] - [ -0.0151322100000000, 0.0000000000000000, -0.0124349500000000 ] - [ -0.0015611100000000, 0.0000469800000000, -0.0032427600000000 ] - [ -0.0007703100000000, 0.0063717300000000, -0.0026066100000000 ] - [ 0.0034654800000000, -0.0021619900000000, -0.0002143100000000 ] - [ -0.0019918300000000, -0.0017374800000000, 0.0004644100000000 ] - [ -0.0007703100000000, -0.0063717300000000, -0.0026066100000000 ] - [ -0.0019918300000000, 0.0017374800000000, 0.0004644100000000 ] - [ -0.0167445800000000, 0.0130778100000000, -0.0037390200000000 ] - [ 0.0012573200000000, -0.0001380300000000, 0.0003335400000000 ] - [ -0.0167445800000000, -0.0130778100000000, -0.0037390200000000 ] - [ -0.0015611100000000, -0.0000469800000000, -0.0032427600000000 ] - [ 0.0012573200000000, 0.0001380300000000, 0.0003335400000000 ] - [ 0.0012294200000000, 0.0000050300000000, 0.0001547800000000 ] - [ 0.0018275300000000, -0.0009292900000000, 0.0011569000000000 ] - [ 0.0028667400000000, 0.0000000000000000, 0.0023038000000000 ] - [ 0.0034654800000000, 0.0021619900000000, -0.0002143100000000 ] - [ 0.0012294200000000, -0.0000050300000000, 0.0001547800000000 ] - [ 0.0018275300000000, 0.0009292900000000, 0.0011569000000000 ] - [ 0.0001584500000000, 0.0000000000000000, -0.0000042100000000 ] - [ -0.0000287400000000, -0.0000957100000000, -0.0000098800000000 ] - [ 0.0002326200000000, 0.0011079600000000, 0.0000317400000000 ] - [ -0.0001279100000000, -0.0001580700000000, 0.0000150700000000 ] - [ 0.0008833700000000, -0.0011190700000000, 0.0003239100000000 ] - [ 0.0002326200000000, -0.0011079600000000, 0.0000317400000000 ] - [ 0.0008833700000000, 0.0011190700000000, 0.0003239100000000 ] - [ 0.0000041700000000, -0.0001449000000000, -0.0001017100000000 ] - [ -0.0000935000000000, 0.0000944200000000, -0.0000155600000000 ] - [ 0.0000041700000000, 0.0001449000000000, -0.0001017100000000 ] - [ -0.0000287400000000, 0.0000957100000000, -0.0000098800000000 ] - [ -0.0000935000000000, -0.0000944200000000, -0.0000155600000000 ] - [ -0.0007989000000000, -0.0002454900000000, -0.0003989600000000 ] - [ -0.0000315800000000, -0.0001325000000000, 0.0000839500000000 ] - [ -0.0000697700000000, 0.0000000000000000, -0.0000055400000000 ] - [ -0.0001279100000000, 0.0001580700000000, 0.0000150700000000 ] - [ -0.0007989000000000, 0.0002454900000000, -0.0003989600000000 ] - [ -0.0000315800000000, 0.0001325000000000, 0.0000839500000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001111500000000, -0.0017169600000000, 0.0004074500000000 ] - [ 0.0001113100000000, -0.0016895300000000, -0.0004079200000000 ] - [ 0.0000208900000000, 0.0005637900000000, 0.0000143600000000 ] - [ -0.0000207500000000, 0.0006106300000000, -0.0000140900000000 ] - [ 0.0121921200000000, 0.0061351000000000, -0.0124439100000000 ] - [ 0.0003377200000000, -0.0008241800000000, 0.0000319500000000 ] - [ -0.0007309800000000, -0.0004329300000000, -0.0001753500000000 ] - [ -0.0118766100000000, 0.0065656100000000, 0.0126177700000000 ] - [ 0.0001863100000000, 0.0010666700000000, 0.0000377400000000 ] - [ 0.0006188800000000, 0.0023888400000000, 0.0001158400000000 ] - [ -0.0009969900000000, 0.0027700200000000, -0.0002630400000000 ] - [ 0.0002020100000000, 0.0014605200000000, 0.0001102800000000 ] - [ -0.0000890900000000, -0.0022015000000000, -0.0000137500000000 ] - [ 0.0008944300000000, -0.0663819000000000, -0.0000178800000000 ] - [ 0.0011686100000000, 0.0026413600000000, 0.0001445000000000 ] - [ 0.0009448000000000, 0.0019315100000000, 0.0003963100000000 ] - [ -0.0042247500000000, -0.0018446900000000, -0.0088444000000000 ] - [ -0.0000801600000000, -0.0055521800000000, 0.0000333600000000 ] - [ -0.0000202800000000, -0.0054038600000000, 0.0000990600000000 ] - [ 0.0040514900000000, -0.0018804500000000, 0.0087863400000000 ] - [ 0.0002534100000000, -0.0020980000000000, 0.0000339900000000 ] - [ -0.0008660500000000, 0.0018829600000000, -0.0004311200000000 ] - [ -0.0000024000000000, -0.0120504300000000, -0.0000839000000000 ] - [ -0.0001265700000000, 0.0008088200000000, -0.0000571300000000 ] - [ 0.0001323200000000, 0.0008186100000000, -0.0000371200000000 ] - [ 0.0001868900000000, 0.0009628100000000, 0.0000710500000000 ] - [ -0.0002709300000000, 0.0009106000000000, -0.0000406800000000 ] - [ -0.0011801800000000, 0.0026334900000000, -0.0000491900000000 ] - [ 0.0002211200000000, 0.0024951600000000, -0.0000108300000000 ] - [ 0.0000534400000000, 0.0017158300000000, -0.0000461100000000 ] - [ 0.0019267800000000, 0.0007490900000000, 0.0008978900000000 ] - [ 0.0017803500000000, 0.0006992600000000, 0.0001765100000000 ] - [ -0.0003111800000000, 0.0021256500000000, -0.0000997600000000 ] - [ -0.0000557200000000, 0.0022628800000000, 0.0000461800000000 ] - [ -0.0000196200000000, 0.0022424900000000, 0.0001020500000000 ] - [ 0.0001491100000000, 0.0020161500000000, 0.0000823900000000 ] - [ -0.0000583400000000, 0.0026025100000000, 0.0000300500000000 ] - [ -0.0016976100000000, 0.0006611100000000, -0.0002058800000000 ] - [ 0.0000193800000000, 0.0017956100000000, -0.0001029000000000 ] - [ -0.0008578800000000, 0.0119668800000000, 0.0004818200000000 ] - [ 0.0008556900000000, 0.0120945400000000, -0.0005837600000000 ] - [ 0.0000359600000000, 0.0026352500000000, -0.0001345100000000 ] - [ -0.0001164300000000, 0.0025896600000000, 0.0001632000000000 ] - [ -0.0019276800000000, 0.0007484900000000, -0.0008016300000000 ] - [ -0.0008145500000000, -0.0007412000000000, 0.0002079700000000 ] - [ 0.0009180100000000, -0.0005314500000000, -0.0001242300000000 ] - [ 0.0001926500000000, -0.0012122600000000, -0.0000320300000000 ] - [ 0.0004848200000000, -0.0000005900000000, 0.0002814200000000 ] - [ -0.0005883000000000, -0.0002099800000000, -0.0003664000000000 ] - [ 0.0000586500000000, 0.0020189700000000, -0.0000540100000000 ] - [ -0.0000595400000000, 0.0029061100000000, 0.0000540600000000 ] - [ -0.0002342400000000, -0.0011584800000000, -0.0001049200000000 ] - [ 0.0001239100000000, -0.0009700600000000, 0.0000720800000000 ] - [ -0.0000807300000000, -0.0013997500000000, 0.0000650100000000 ] - [ -0.0005895500000000, -0.0011364300000000, -0.0003775200000000 ] - [ 0.0006870300000000, -0.0009321400000000, 0.0004580400000000 ] - [ 0.0012091900000000, 0.0026957400000000, 0.0000100100000000 ] - [ 0.0008339600000000, -0.0014555800000000, -0.0003104100000000 ] - [ -0.0009422600000000, -0.0016611900000000, 0.0002287800000000 ] - [ 0.0000570600000000, -0.0010797200000000, -0.0000486300000000 ] - [ -0.0000577000000000, -0.0010728900000000, 0.0000485500000000 ] - [ -0.0001641900000000, 0.0031855200000000, 0.0002110700000000 ] - [ 0.0001458100000000, 0.0032560500000000, -0.0003258200000000 ] - [ -0.0010753600000000, 0.0025415300000000, 0.0000541700000000 ] - [ -0.0000022300000000, 0.0117333500000000, 0.0000196600000000 ] - [ -0.0015076300000000, 0.0029750500000000, -0.0056646500000000 ] - [ -0.0017239100000000, -0.0043878700000000, 0.0018141300000000 ] - [ -0.0009461600000000, 0.0016152200000000, 0.0005318500000000 ] - [ 0.0015436300000000, -0.0013995800000000, 0.0021250000000000 ] - [ 0.0014864900000000, -0.0046681200000000, -0.0019703300000000 ] - [ -0.0014755700000000, -0.0013534000000000, -0.0018531000000000 ] - [ -0.0096318500000000, 0.0158782600000000, -0.0049771200000000 ] - [ 0.0007998100000000, 0.0007250200000000, 0.0002066900000000 ] - [ 0.0085253300000000, 0.0151513800000000, 0.0048667500000000 ] - [ 0.0013117000000000, 0.0029132000000000, 0.0054104700000000 ] - [ -0.0005517500000000, 0.0004303400000000, -0.0000478800000000 ] - [ -0.0013638400000000, 0.0004454300000000, -0.0005393700000000 ] - [ -0.0005148100000000, 0.0015280700000000, -0.0007972600000000 ] - [ 0.0000066000000000, 0.0018153500000000, 0.0000387000000000 ] - [ 0.0012053100000000, 0.0016067800000000, -0.0004367200000000 ] - [ 0.0013119900000000, 0.0004915800000000, 0.0002845200000000 ] - [ 0.0007151900000000, 0.0015719400000000, 0.0010225100000000 ] - [ -0.0000072600000000, -0.0015406600000000, -0.0000301400000000 ] - [ 0.0002100100000000, -0.0010352700000000, 0.0002512700000000 ] - [ -0.0000886500000000, -0.0012373200000000, -0.0000384900000000 ] - [ 0.0006776200000000, -0.0016501400000000, -0.0003590000000000 ] - [ 0.0000987400000000, -0.0013105400000000, 0.0002648900000000 ] - [ -0.0001601900000000, -0.0015422400000000, -0.0001218800000000 ] - [ -0.0000475700000000, -0.0012536100000000, -0.0000116600000000 ] - [ 0.0003966400000000, -0.0010580400000000, -0.0002281900000000 ] - [ 0.0006467300000000, -0.0037154200000000, 0.0002649500000000 ] - [ -0.0006499600000000, -0.0010341600000000, 0.0001334100000000 ] - [ -0.0004132100000000, -0.0010765300000000, -0.0004795100000000 ] - [ -0.0003891600000000, -0.0039927700000000, -0.0001025200000000 ] - [ -0.0002058600000000, -0.0023327300000000, -0.0000403500000000 ] - [ 0.0003366500000000, -0.0015836300000000, 0.0007565000000000 ] - [ 0.0000070400000000, -0.0017400900000000, 0.0000302700000000 ] - [ -0.0004255700000000, -0.0016700700000000, 0.0004522200000000 ] - [ 0.0001539800000000, -0.0022779600000000, -0.0002120800000000 ] - [ -0.0001346000000000, -0.0015383400000000, -0.0005259700000000 ]- atom: 14 displacement: [ -0.0028145825136884, 0.0000000000000000, 0.0095957347438140 ] forces: - [ 0.0000715000000000, 0.0002085400000000, -0.0000661600000000 ] - [ 0.0000715000000000, -0.0002085400000000, -0.0000661600000000 ] - [ 0.0000019400000000, -0.0000237500000000, -0.0000026200000000 ] - [ 0.0000019400000000, 0.0000237500000000, -0.0000026200000000 ] - [ -0.0056645300000000, -0.0047771400000000, 0.0065687700000000 ] - [ -0.0004180900000000, -0.0004105000000000, -0.0004187200000000 ] - [ -0.0004180900000000, 0.0004105000000000, -0.0004187200000000 ] - [ -0.0056645300000000, 0.0047771400000000, 0.0065687700000000 ] - [ 0.0002301700000000, -0.0002227400000000, 0.0000566700000000 ] - [ -0.0001664300000000, -0.0001216600000000, -0.0001092700000000 ] - [ -0.0001664300000000, 0.0001216600000000, -0.0001092700000000 ] - [ 0.0002301700000000, 0.0002227400000000, 0.0000566700000000 ] - [ 0.0005506200000000, -0.0002238500000000, 0.0001892200000000 ] - [ -0.0021226000000000, 0.0000000000000000, -0.0748995700000000 ] - [ -0.0002620800000000, -0.0004050100000000, 0.0000690300000000 ] - [ 0.0000750700000000, 0.0004600900000000, 0.0000037700000000 ] - [ 0.0059505000000000, -0.0093586100000000, 0.0013125500000000 ] - [ 0.0018954900000000, 0.0000000000000000, -0.0014028500000000 ] - [ -0.0008130500000000, 0.0000000000000000, 0.0017771300000000 ] - [ 0.0059505000000000, 0.0093586100000000, 0.0013125500000000 ] - [ 0.0005506200000000, 0.0002238500000000, 0.0001892200000000 ] - [ 0.0000750700000000, -0.0004600900000000, 0.0000037700000000 ] - [ -0.0119339700000000, 0.0000000000000000, 0.0234503600000000 ] - [ 0.0001316000000000, -0.0000043500000000, -0.0000064700000000 ] - [ 0.0001316000000000, 0.0000043500000000, -0.0000064700000000 ] - [ 0.0000329500000000, 0.0000373400000000, 0.0000305100000000 ] - [ 0.0000329500000000, -0.0000373400000000, 0.0000305100000000 ] - [ -0.0002620800000000, 0.0004050100000000, 0.0000690300000000 ] - [ 0.0000498900000000, -0.0000788700000000, 0.0000265800000000 ] - [ 0.0000554400000000, 0.0000000000000000, -0.0000270800000000 ] - [ 0.0001309300000000, 0.0002234800000000, -0.0007049400000000 ] - [ -0.0000874000000000, 0.0002904000000000, 0.0005791900000000 ] - [ -0.0000694200000000, 0.0000426500000000, 0.0000162900000000 ] - [ -0.0000828700000000, 0.0000000000000000, 0.0000513800000000 ] - [ -0.0000241100000000, 0.0000000000000000, 0.0001012200000000 ] - [ -0.0000694200000000, -0.0000426500000000, 0.0000162900000000 ] - [ 0.0000498900000000, 0.0000788700000000, 0.0000265800000000 ] - [ -0.0000874000000000, -0.0002904000000000, 0.0005791900000000 ] - [ 0.0000287000000000, 0.0000000000000000, -0.0001086700000000 ] - [ 0.0019682800000000, -0.0013838900000000, -0.0022617600000000 ] - [ 0.0019682800000000, 0.0013838900000000, -0.0022617600000000 ] - [ 0.0001206600000000, -0.0005718800000000, 0.0016070000000000 ] - [ 0.0001206600000000, 0.0005718800000000, 0.0016070000000000 ] - [ 0.0001309300000000, -0.0002234800000000, -0.0007049400000000 ] - [ 0.0000622700000000, -0.0003626400000000, -0.0004740200000000 ] - [ 0.0000622700000000, 0.0003626400000000, -0.0004740200000000 ] - [ 0.0000700900000000, 0.0001159500000000, -0.0000469100000000 ] - [ -0.0003421800000000, 0.0003355300000000, 0.0001462000000000 ] - [ -0.0003421800000000, -0.0003355300000000, 0.0001462000000000 ] - [ -0.0001152100000000, 0.0000000000000000, 0.0003010300000000 ] - [ -0.0000521000000000, 0.0000000000000000, -0.0004964900000000 ] - [ -0.0000648700000000, -0.0001020300000000, -0.0000111600000000 ] - [ -0.0000648700000000, 0.0001020300000000, -0.0000111600000000 ] - [ 0.0000700900000000, -0.0001159500000000, -0.0000469100000000 ] - [ 0.0000444200000000, -0.0001284800000000, -0.0000340700000000 ] - [ 0.0000444200000000, 0.0001284800000000, -0.0000340700000000 ] - [ -0.0004176500000000, -0.0000681300000000, -0.0007271300000000 ] - [ -0.0001271000000000, 0.0001061500000000, 0.0000497500000000 ] - [ -0.0001271000000000, -0.0001061500000000, 0.0000497500000000 ] - [ 0.0000570000000000, 0.0000000000000000, -0.0000497700000000 ] - [ -0.0000636600000000, 0.0000000000000000, 0.0000550200000000 ] - [ -0.0026537900000000, -0.0034512500000000, 0.0034529200000000 ] - [ -0.0026537900000000, 0.0034512500000000, 0.0034529200000000 ] - [ -0.0004176500000000, 0.0000681300000000, -0.0007271300000000 ] - [ 0.0136268900000000, 0.0000000000000000, 0.0367302200000000 ] - [ -0.0004194900000000, 0.0012092600000000, -0.0042451400000000 ] - [ -0.0004340300000000, 0.0019661900000000, -0.0014779500000000 ] - [ -0.0001572300000000, 0.0005127800000000, 0.0000358700000000 ] - [ 0.0007049800000000, 0.0011910400000000, 0.0008832800000000 ] - [ -0.0004340300000000, -0.0019661900000000, -0.0014779500000000 ] - [ 0.0007049800000000, -0.0011910400000000, 0.0008832800000000 ] - [ 0.0007468900000000, -0.0021953700000000, 0.0027531800000000 ] - [ -0.0000139400000000, 0.0002472600000000, 0.0000939100000000 ] - [ 0.0007468900000000, 0.0021953700000000, 0.0027531800000000 ] - [ -0.0004194900000000, -0.0012092600000000, -0.0042451400000000 ] - [ -0.0000139400000000, -0.0002472600000000, 0.0000939100000000 ] - [ 0.0000017200000000, -0.0002850600000000, -0.0000817400000000 ] - [ 0.0002498800000000, 0.0000433000000000, 0.0002801900000000 ] - [ -0.0000914200000000, 0.0000000000000000, -0.0003234500000000 ] - [ -0.0001572300000000, -0.0005127800000000, 0.0000358700000000 ] - [ 0.0000017200000000, 0.0002850600000000, -0.0000817400000000 ] - [ 0.0002498800000000, -0.0000433000000000, 0.0002801900000000 ] - [ -0.0000253600000000, 0.0000000000000000, -0.0000474100000000 ] - [ -0.0001004500000000, 0.0000194800000000, -0.0001069000000000 ] - [ -0.0001603800000000, 0.0001688300000000, -0.0001110800000000 ] - [ 0.0001054800000000, -0.0000216300000000, 0.0000248800000000 ] - [ -0.0000885100000000, 0.0000336200000000, 0.0001447900000000 ] - [ -0.0001603800000000, -0.0001688300000000, -0.0001110800000000 ] - [ -0.0000885100000000, -0.0000336200000000, 0.0001447900000000 ] - [ -0.0001569400000000, -0.0000358600000000, -0.0000531700000000 ] - [ 0.0002761300000000, 0.0000173300000000, 0.0001589300000000 ] - [ -0.0001569400000000, 0.0000358600000000, -0.0000531700000000 ] - [ -0.0001004500000000, -0.0000194800000000, -0.0001069000000000 ] - [ 0.0002761300000000, -0.0000173300000000, 0.0001589300000000 ] - [ -0.0000951600000000, -0.0000846400000000, -0.0002753200000000 ] - [ 0.0001451100000000, -0.0000117500000000, 0.0001648900000000 ] - [ 0.0000180100000000, 0.0000000000000000, 0.0000212800000000 ] - [ 0.0001054800000000, 0.0000216300000000, 0.0000248800000000 ] - [ -0.0000951600000000, 0.0000846400000000, -0.0002753200000000 ] - [ 0.0001451100000000, 0.0000117500000000, 0.0001648900000000 ]- atom: 14 displacement: [ 0.0028145825136884, 0.0000000000000000, -0.0095957347438140 ] forces: - [ -0.0000723400000000, -0.0002561500000000, 0.0000685300000000 ] - [ -0.0000723400000000, 0.0002561500000000, 0.0000685300000000 ] - [ -0.0000020700000000, -0.0000169600000000, 0.0000017000000000 ] - [ -0.0000020700000000, 0.0000169600000000, 0.0000017000000000 ] - [ 0.0060925200000000, 0.0043602500000000, -0.0065428900000000 ] - [ 0.0000201500000000, 0.0000015000000000, 0.0002723100000000 ] - [ 0.0000201500000000, -0.0000015000000000, 0.0002723100000000 ] - [ 0.0060925200000000, -0.0043602500000000, -0.0065428900000000 ] - [ 0.0001744600000000, -0.0001924900000000, 0.0000975100000000 ] - [ -0.0002400600000000, -0.0002992600000000, -0.0000461800000000 ] - [ -0.0002400600000000, 0.0002992600000000, -0.0000461800000000 ] - [ 0.0001744600000000, 0.0001924900000000, 0.0000975100000000 ] - [ -0.0003903100000000, 0.0001043400000000, -0.0001735700000000 ] - [ 0.0030055200000000, 0.0000000000000000, 0.0773232300000000 ] - [ 0.0002887500000000, 0.0004311500000000, 0.0000231600000000 ] - [ 0.0000199300000000, -0.0004115800000000, -0.0000209800000000 ] - [ -0.0061626400000000, 0.0095358900000000, -0.0013144800000000 ] - [ -0.0020264700000000, 0.0000000000000000, 0.0014764900000000 ] - [ 0.0008016000000000, 0.0000000000000000, -0.0015670900000000 ] - [ -0.0061626400000000, -0.0095358900000000, -0.0013144800000000 ] - [ -0.0003903100000000, -0.0001043400000000, -0.0001735700000000 ] - [ 0.0000199300000000, 0.0004115800000000, -0.0000209800000000 ] - [ 0.0119154700000000, 0.0000000000000000, -0.0237828600000000 ] - [ -0.0001520800000000, -0.0000118400000000, -0.0000866600000000 ] - [ -0.0001520800000000, 0.0000118400000000, -0.0000866600000000 ] - [ -0.0001237700000000, 0.0000115600000000, -0.0000125300000000 ] - [ -0.0001237700000000, -0.0000115600000000, -0.0000125300000000 ] - [ 0.0002887500000000, -0.0004311500000000, 0.0000231600000000 ] - [ 0.0001064700000000, -0.0000457500000000, -0.0000105900000000 ] - [ 0.0000480400000000, 0.0000000000000000, -0.0000619200000000 ] - [ -0.0001047400000000, -0.0001984300000000, 0.0007985100000000 ] - [ 0.0001784100000000, -0.0002353600000000, -0.0005961800000000 ] - [ -0.0000896700000000, 0.0000819900000000, -0.0000332700000000 ] - [ -0.0000189900000000, 0.0000000000000000, 0.0000380600000000 ] - [ -0.0000100900000000, 0.0000000000000000, 0.0001088500000000 ] - [ -0.0000896700000000, -0.0000819900000000, -0.0000332700000000 ] - [ 0.0001064700000000, 0.0000457500000000, -0.0000105900000000 ] - [ 0.0001784100000000, 0.0002353600000000, -0.0005961800000000 ] - [ 0.0000083700000000, 0.0000000000000000, -0.0001026000000000 ] - [ -0.0020123900000000, 0.0014007000000000, 0.0021805100000000 ] - [ -0.0020123900000000, -0.0014007000000000, 0.0021805100000000 ] - [ -0.0002169700000000, 0.0006367000000000, -0.0015979900000000 ] - [ -0.0002169700000000, -0.0006367000000000, -0.0015979900000000 ] - [ -0.0001047400000000, 0.0001984300000000, 0.0007985100000000 ] - [ 0.0000413400000000, 0.0001622600000000, 0.0005647900000000 ] - [ 0.0000413400000000, -0.0001622600000000, 0.0005647900000000 ] - [ 0.0000424800000000, 0.0000752000000000, 0.0000818500000000 ] - [ 0.0002383000000000, -0.0001352900000000, -0.0002339200000000 ] - [ 0.0002383000000000, 0.0001352900000000, -0.0002339200000000 ] - [ 0.0002352900000000, 0.0000000000000000, -0.0004212800000000 ] - [ -0.0000740800000000, 0.0000000000000000, 0.0006172100000000 ] - [ -0.0000486900000000, -0.0000887800000000, -0.0000240700000000 ] - [ -0.0000486900000000, 0.0000887800000000, -0.0000240700000000 ] - [ 0.0000424800000000, -0.0000752000000000, 0.0000818500000000 ] - [ 0.0000613700000000, -0.0000727800000000, 0.0001182000000000 ] - [ 0.0000613700000000, 0.0000727800000000, 0.0001182000000000 ] - [ 0.0005323200000000, 0.0002556800000000, 0.0007830700000000 ] - [ 0.0000240300000000, 0.0000925300000000, -0.0001359700000000 ] - [ 0.0000240300000000, -0.0000925300000000, -0.0001359700000000 ] - [ 0.0000598800000000, 0.0000000000000000, -0.0000498200000000 ] - [ -0.0000513300000000, 0.0000000000000000, 0.0000454300000000 ] - [ 0.0026461400000000, 0.0033721800000000, -0.0035902200000000 ] - [ 0.0026461400000000, -0.0033721800000000, -0.0035902200000000 ] - [ 0.0005323200000000, -0.0002556800000000, 0.0007830700000000 ] - [ -0.0144587600000000, 0.0000000000000000, -0.0389379500000000 ] - [ 0.0002586000000000, -0.0012020700000000, 0.0040594400000000 ] - [ 0.0001774100000000, -0.0016958700000000, 0.0013360600000000 ] - [ 0.0004121000000000, -0.0004958800000000, 0.0000566100000000 ] - [ -0.0006562900000000, -0.0012481900000000, -0.0006368600000000 ] - [ 0.0001774100000000, 0.0016958700000000, 0.0013360600000000 ] - [ -0.0006562900000000, 0.0012481900000000, -0.0006368600000000 ] - [ -0.0010440200000000, 0.0021816700000000, -0.0028220700000000 ] - [ 0.0002669700000000, 0.0000587600000000, 0.0000698000000000 ] - [ -0.0010440200000000, -0.0021816700000000, -0.0028220700000000 ] - [ 0.0002586000000000, 0.0012020700000000, 0.0040594400000000 ] - [ 0.0002669700000000, -0.0000587600000000, 0.0000698000000000 ] - [ -0.0000539700000000, 0.0002331800000000, -0.0001799800000000 ] - [ -0.0000539400000000, -0.0000811800000000, -0.0000563000000000 ] - [ 0.0000942700000000, 0.0000000000000000, 0.0003920300000000 ] - [ 0.0004121000000000, 0.0004958800000000, 0.0000566100000000 ] - [ -0.0000539700000000, -0.0002331800000000, -0.0001799800000000 ] - [ -0.0000539400000000, 0.0000811800000000, -0.0000563000000000 ] - [ 0.0000156100000000, 0.0000000000000000, -0.0000121000000000 ] - [ -0.0001032100000000, 0.0000245200000000, -0.0001247900000000 ] - [ -0.0000995300000000, 0.0001368500000000, -0.0000555300000000 ] - [ 0.0001489100000000, 0.0000443500000000, 0.0000692300000000 ] - [ 0.0001364300000000, -0.0000842200000000, 0.0001117900000000 ] - [ -0.0000995300000000, -0.0001368500000000, -0.0000555300000000 ] - [ 0.0001364300000000, 0.0000842200000000, 0.0001117900000000 ] - [ -0.0000973500000000, 0.0000149300000000, -0.0000409800000000 ] - [ -0.0000187600000000, 0.0002963600000000, 0.0000048900000000 ] - [ -0.0000973500000000, -0.0000149300000000, -0.0000409800000000 ] - [ -0.0001032100000000, -0.0000245200000000, -0.0001247900000000 ] - [ -0.0000187600000000, -0.0002963600000000, 0.0000048900000000 ] - [ 0.0000490300000000, 0.0000323900000000, 0.0000212700000000 ] - [ 0.0000589200000000, -0.0000311700000000, 0.0000650200000000 ] - [ -0.0000088500000000, 0.0000000000000000, 0.0000377700000000 ] - [ 0.0001489100000000, -0.0000443500000000, 0.0000692300000000 ] - [ 0.0000490300000000, -0.0000323900000000, 0.0000212700000000 ] - [ 0.0000589200000000, 0.0000311700000000, 0.0000650200000000 ]- atom: 15 displacement: [ 0.0099999418370919, 0.0000000000000000, 0.0000341065210551 ] forces: - [ -0.0002338800000000, -0.0003241700000000, 0.0000448800000000 ] - [ 0.0000101600000000, -0.0000220600000000, 0.0000038800000000 ] - [ -0.0000218400000000, -0.0004404300000000, -0.0000212600000000 ] - [ 0.0001546000000000, -0.0001748900000000, 0.0000853500000000 ] - [ -0.0041109700000000, 0.0054267000000000, 0.0000146800000000 ] - [ -0.0002908600000000, -0.0021116300000000, -0.0000106600000000 ] - [ -0.0002394400000000, 0.0001928800000000, -0.0000732500000000 ] - [ -0.0000311000000000, 0.0004037400000000, 0.0000253400000000 ] - [ 0.0007656900000000, 0.0000899200000000, 0.0004312100000000 ] - [ -0.0001669200000000, -0.0005525600000000, -0.0003869100000000 ] - [ 0.0145056900000000, -0.0163518200000000, -0.0060261500000000 ] - [ 0.0032018400000000, 0.0010520000000000, 0.0005815900000000 ] - [ 0.0017484300000000, -0.0022712000000000, 0.0002617100000000 ] - [ 0.0004328400000000, 0.0011704700000000, -0.0002301900000000 ] - [ -0.0680410400000000, -0.0155055800000000, -0.0166488900000000 ] - [ -0.0111098200000000, 0.0023433000000000, -0.0118095300000000 ] - [ -0.0002606400000000, 0.0002095600000000, -0.0000757400000000 ] - [ 0.0007036500000000, -0.0001275100000000, 0.0004250700000000 ] - [ 0.0008670100000000, -0.0001102100000000, 0.0001614000000000 ] - [ -0.0029873900000000, -0.0004311300000000, -0.0016310100000000 ] - [ -0.0000568100000000, -0.0001748000000000, -0.0000419900000000 ] - [ -0.0001292000000000, 0.0000660800000000, -0.0000310800000000 ] - [ 0.0001803100000000, 0.0010824900000000, 0.0001905700000000 ] - [ 0.0000029200000000, 0.0003028200000000, -0.0000559100000000 ] - [ 0.0107857600000000, -0.0005439200000000, 0.0046791800000000 ] - [ 0.0028839600000000, 0.0003090400000000, 0.0003831700000000 ] - [ -0.0000690600000000, 0.0002773700000000, -0.0000052700000000 ] - [ -0.0002364900000000, 0.0000096500000000, -0.0000291200000000 ] - [ -0.0000042800000000, -0.0008098600000000, 0.0001263000000000 ] - [ 0.0010758600000000, 0.0019280500000000, 0.0003613100000000 ] - [ 0.0001354400000000, 0.0001247500000000, 0.0001010100000000 ] - [ 0.0001659800000000, 0.0000998000000000, 0.0000017000000000 ] - [ 0.0021533600000000, 0.0005648400000000, 0.0008236100000000 ] - [ -0.0063032600000000, -0.0008345000000000, 0.0002847900000000 ] - [ -0.0040779300000000, 0.0002089000000000, -0.0021779200000000 ] - [ 0.0006748800000000, 0.0001763800000000, 0.0001860100000000 ] - [ 0.0029300700000000, -0.0058300200000000, 0.0052671100000000 ] - [ 0.0029267400000000, -0.0003032400000000, 0.0009550600000000 ] - [ 0.0018986800000000, 0.0020406700000000, 0.0000635500000000 ] - [ 0.0074858100000000, 0.0096835300000000, -0.0026669800000000 ] - [ 0.0000225500000000, 0.0001448600000000, -0.0000434200000000 ] - [ -0.0000257400000000, 0.0001336600000000, 0.0000272800000000 ] - [ 0.0034846900000000, 0.0051523300000000, 0.0065387600000000 ] - [ 0.0027122000000000, -0.0002462400000000, 0.0007227400000000 ] - [ -0.0000654500000000, 0.0012010400000000, 0.0031350100000000 ] - [ 0.0001386300000000, 0.0000601500000000, 0.0000584900000000 ] - [ 0.0007243100000000, 0.0002029300000000, 0.0000073200000000 ] - [ 0.0000124000000000, 0.0000476400000000, -0.0000092000000000 ] - [ 0.0003272500000000, 0.0004289200000000, -0.0012803300000000 ] - [ 0.0003471000000000, 0.0000015200000000, 0.0002022600000000 ] - [ 0.0003296900000000, -0.0000630600000000, 0.0000200700000000 ] - [ -0.0003761000000000, -0.0015484200000000, -0.0009643800000000 ] - [ 0.0002853400000000, -0.0003272100000000, 0.0001523400000000 ] - [ 0.0016504100000000, -0.0020092800000000, 0.0011280100000000 ] - [ -0.0000427900000000, -0.0001256700000000, -0.0000097300000000 ] - [ -0.0022234500000000, -0.0002834800000000, -0.0008905400000000 ] - [ -0.0007506100000000, -0.0001962300000000, -0.0003174100000000 ] - [ -0.0023934000000000, 0.0000468200000000, -0.0002621700000000 ] - [ -0.0001283800000000, -0.0000961400000000, -0.0000601100000000 ] - [ -0.0006138700000000, 0.0007890500000000, -0.0000622900000000 ] - [ -0.0007607100000000, 0.0007602600000000, -0.0004616800000000 ] - [ -0.0002166000000000, -0.0003192400000000, -0.0000518500000000 ] - [ -0.0008564900000000, -0.0009981200000000, 0.0000739400000000 ] - [ -0.0001859800000000, -0.0000999100000000, -0.0000427000000000 ] - [ 0.0006255900000000, 0.0003172800000000, 0.0000638600000000 ] - [ 0.0001249300000000, -0.0002820400000000, 0.0000054500000000 ] - [ 0.0146300900000000, 0.0111870100000000, 0.0020153300000000 ] - [ -0.0007236900000000, 0.0005114300000000, 0.0000747900000000 ] - [ 0.0000728700000000, -0.0000882800000000, 0.0001384500000000 ] - [ -0.0000743200000000, -0.0003307900000000, -0.0000630400000000 ] - [ 0.0024508900000000, -0.0018919700000000, 0.0016408700000000 ] - [ 0.0001465700000000, -0.0003526800000000, -0.0000466700000000 ] - [ -0.0013785900000000, 0.0025702300000000, -0.0004341800000000 ] - [ 0.0000892300000000, -0.0024716900000000, 0.0013047100000000 ] - [ 0.0005205000000000, -0.0022524600000000, -0.0016139200000000 ] - [ 0.0000916700000000, -0.0002707200000000, 0.0000586800000000 ] - [ -0.0001321000000000, -0.0000853200000000, -0.0001449500000000 ] - [ -0.0006705400000000, 0.0004312200000000, -0.0002362200000000 ] - [ -0.0010002700000000, 0.0010347700000000, -0.0002512100000000 ] - [ 0.0000545800000000, -0.0000541500000000, 0.0000155300000000 ] - [ -0.0019765500000000, 0.0008214800000000, -0.0007212700000000 ] - [ 0.0000085100000000, -0.0000455200000000, 0.0001030100000000 ] - [ -0.0014615500000000, -0.0001479800000000, -0.0001386700000000 ] - [ -0.0014537700000000, -0.0003726900000000, -0.0008793600000000 ] - [ -0.0002836700000000, -0.0000936000000000, -0.0001496200000000 ] - [ 0.0006991000000000, 0.0000039400000000, 0.0002477500000000 ] - [ -0.0030728400000000, -0.0000463100000000, -0.0025975500000000 ] - [ -0.0034102200000000, -0.0004241200000000, 0.0000265200000000 ] - [ -0.0000858700000000, 0.0000219800000000, 0.0000936000000000 ] - [ -0.0021701500000000, -0.0010974700000000, 0.0000033500000000 ] - [ 0.0002229900000000, 0.0002022400000000, 0.0001634000000000 ] - [ -0.0009583000000000, -0.0007221600000000, -0.0000437500000000 ] - [ -0.0011043800000000, -0.0010544200000000, -0.0007607100000000 ] - [ 0.0127150200000000, 0.0035435200000000, 0.0012566000000000 ] - [ 0.0167724200000000, 0.0003015000000000, 0.0144326000000000 ] - [ 0.0008900400000000, -0.0005683300000000, 0.0003833200000000 ] - [ 0.0020336700000000, 0.0011815000000000, 0.0001768200000000 ] - [ 0.0068767600000000, 0.0027610700000000, 0.0001868300000000 ] - [ 0.0001997900000000, 0.0001619400000000, -0.0000794200000000 ] - [ 0.0020178200000000, 0.0041020600000000, 0.0046220500000000 ]- atom: 15 displacement: [ -0.0099999418370919, 0.0000000000000000, -0.0000341065210551 ] forces: - [ 0.0002377500000000, 0.0002984800000000, -0.0000622000000000 ] - [ -0.0000130800000000, 0.0000579100000000, 0.0000132500000000 ] - [ 0.0000272500000000, 0.0004154800000000, 0.0000045600000000 ] - [ -0.0001567100000000, 0.0002068400000000, -0.0000716400000000 ] - [ 0.0045705600000000, -0.0059238800000000, 0.0001514200000000 ] - [ -0.0000912100000000, 0.0017353700000000, -0.0001348000000000 ] - [ -0.0001537600000000, 0.0002065000000000, -0.0000811000000000 ] - [ 0.0004282800000000, -0.0000067400000000, 0.0001212500000000 ] - [ -0.0003876800000000, -0.0004855200000000, -0.0002800000000000 ] - [ -0.0002198100000000, 0.0001584000000000, 0.0002465200000000 ] - [ -0.0147332900000000, 0.0165573700000000, 0.0058064500000000 ] - [ -0.0028353300000000, -0.0006624700000000, -0.0004401700000000 ] - [ -0.0015909700000000, 0.0021560600000000, -0.0002411800000000 ] - [ -0.0003197700000000, -0.0011792200000000, 0.0001340800000000 ] - [ 0.0667402700000000, 0.0153343600000000, 0.0167829900000000 ] - [ 0.0112483300000000, -0.0022978700000000, 0.0117407300000000 ] - [ 0.0001090900000000, -0.0000899900000000, 0.0000584700000000 ] - [ -0.0008314200000000, 0.0001326200000000, -0.0003316300000000 ] - [ -0.0009207400000000, 0.0001160500000000, 0.0000314900000000 ] - [ 0.0028469700000000, 0.0003115300000000, 0.0016215000000000 ] - [ 0.0002112800000000, 0.0002993300000000, 0.0000597600000000 ] - [ 0.0002231500000000, -0.0001256300000000, -0.0000008500000000 ] - [ -0.0001395400000000, -0.0010903200000000, -0.0003901700000000 ] - [ -0.0000079500000000, -0.0003281700000000, -0.0000474600000000 ] - [ -0.0109522800000000, 0.0005695200000000, -0.0048595900000000 ] - [ -0.0029846900000000, -0.0002487900000000, -0.0003488000000000 ] - [ -0.0000237900000000, -0.0003377400000000, 0.0000369900000000 ] - [ 0.0002429700000000, -0.0000337600000000, 0.0001324500000000 ] - [ 0.0001606400000000, 0.0006870600000000, -0.0001100400000000 ] - [ -0.0009512400000000, -0.0019384100000000, -0.0004617800000000 ] - [ -0.0001281800000000, -0.0001104500000000, -0.0000006700000000 ] - [ -0.0000720400000000, -0.0000460200000000, -0.0000298300000000 ] - [ -0.0023188100000000, -0.0004493900000000, -0.0008453800000000 ] - [ 0.0061998900000000, 0.0008698000000000, -0.0001914000000000 ] - [ 0.0040449500000000, -0.0002111700000000, 0.0023792800000000 ] - [ -0.0008342400000000, -0.0003064200000000, -0.0002056600000000 ] - [ -0.0028005100000000, 0.0059959600000000, -0.0052340100000000 ] - [ -0.0028489400000000, 0.0002582700000000, -0.0009886000000000 ] - [ -0.0018542200000000, -0.0020454700000000, -0.0002562800000000 ] - [ -0.0074605900000000, -0.0096183300000000, 0.0025441700000000 ] - [ -0.0000310700000000, -0.0001321500000000, -0.0000581000000000 ] - [ -0.0000706300000000, -0.0000818400000000, 0.0000003700000000 ] - [ -0.0036179900000000, -0.0052224100000000, -0.0065039100000000 ] - [ -0.0027205400000000, 0.0002340800000000, -0.0006256500000000 ] - [ 0.0001075300000000, -0.0013675500000000, -0.0030340400000000 ] - [ -0.0000351100000000, 0.0001450900000000, 0.0000264800000000 ] - [ -0.0006183500000000, -0.0000110600000000, 0.0000270200000000 ] - [ -0.0001152300000000, 0.0001569100000000, -0.0000763600000000 ] - [ -0.0004496900000000, -0.0006321100000000, 0.0011915700000000 ] - [ -0.0002357200000000, -0.0000133300000000, -0.0002959100000000 ] - [ -0.0004466000000000, 0.0000522400000000, 0.0000718800000000 ] - [ 0.0002588600000000, 0.0013667700000000, 0.0009373100000000 ] - [ -0.0003957000000000, 0.0005212800000000, -0.0001880700000000 ] - [ -0.0015954400000000, 0.0017862900000000, -0.0010689300000000 ] - [ 0.0001457400000000, -0.0000749300000000, 0.0000935300000000 ] - [ 0.0023252700000000, 0.0004814500000000, 0.0009696100000000 ] - [ 0.0008643000000000, 0.0003846500000000, 0.0003505900000000 ] - [ 0.0023096100000000, 0.0001513000000000, 0.0001878200000000 ] - [ 0.0000256100000000, -0.0001044200000000, -0.0000249000000000 ] - [ 0.0007247000000000, -0.0007847800000000, -0.0000124100000000 ] - [ 0.0006561600000000, -0.0007557500000000, 0.0005362600000000 ] - [ 0.0001093800000000, 0.0001314900000000, 0.0000176700000000 ] - [ 0.0007511100000000, 0.0011905100000000, -0.0001029900000000 ] - [ 0.0002960500000000, -0.0000907700000000, 0.0000763300000000 ] - [ -0.0006386000000000, -0.0003158600000000, -0.0001241700000000 ] - [ -0.0003254800000000, 0.0003241200000000, -0.0002325100000000 ] - [ -0.0147926600000000, -0.0104276200000000, -0.0021435000000000 ] - [ 0.0009709900000000, -0.0004893100000000, 0.0000224300000000 ] - [ -0.0000237800000000, 0.0000398400000000, 0.0001174500000000 ] - [ -0.0001875200000000, 0.0000052800000000, -0.0001004000000000 ] - [ -0.0024089200000000, 0.0019558500000000, -0.0013700900000000 ] - [ -0.0003964600000000, 0.0003295300000000, -0.0000488700000000 ] - [ 0.0016429100000000, -0.0022840000000000, 0.0006002800000000 ] - [ -0.0003168800000000, 0.0025395400000000, -0.0014380400000000 ] - [ -0.0007268400000000, 0.0022477300000000, 0.0014276300000000 ] - [ 0.0001683500000000, -0.0000531100000000, 0.0001053400000000 ] - [ 0.0000833800000000, 0.0000356000000000, -0.0001107400000000 ] - [ 0.0008703500000000, -0.0004746800000000, 0.0004575900000000 ] - [ 0.0010142300000000, -0.0010386900000000, 0.0003115800000000 ] - [ 0.0001863900000000, 0.0000244700000000, 0.0000864800000000 ] - [ 0.0019312400000000, -0.0007808500000000, 0.0004652600000000 ] - [ 0.0001892600000000, 0.0000835100000000, 0.0001184400000000 ] - [ 0.0014531100000000, 0.0001505800000000, 0.0000800100000000 ] - [ 0.0012617100000000, 0.0004160600000000, 0.0006641700000000 ] - [ 0.0000252200000000, 0.0004172500000000, -0.0000152200000000 ] - [ -0.0004575600000000, 0.0000221600000000, -0.0001449100000000 ] - [ 0.0031435800000000, -0.0000049900000000, 0.0028851700000000 ] - [ 0.0031781400000000, 0.0001107100000000, -0.0001936300000000 ] - [ 0.0001359700000000, 0.0000304300000000, 0.0001621200000000 ] - [ 0.0019442000000000, 0.0010816000000000, -0.0001065800000000 ] - [ 0.0000326700000000, 0.0001101000000000, -0.0000015800000000 ] - [ 0.0007201800000000, 0.0007561800000000, -0.0000615400000000 ] - [ 0.0009110400000000, 0.0010225100000000, 0.0005479200000000 ] - [ -0.0115478100000000, -0.0038313000000000, -0.0015026700000000 ] - [ -0.0167185000000000, -0.0003686100000000, -0.0142549300000000 ] - [ -0.0006982300000000, 0.0005361300000000, -0.0001740500000000 ] - [ -0.0020364700000000, -0.0011882000000000, -0.0001146100000000 ] - [ -0.0064122600000000, -0.0029759800000000, -0.0001021300000000 ] - [ -0.0002508700000000, -0.0001110600000000, -0.0001777900000000 ] - [ -0.0018269200000000, -0.0040570100000000, -0.0043812100000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003404900000000, 0.0007563500000000, -0.0001956900000000 ] - [ 0.0000086800000000, 0.0006658400000000, 0.0000042800000000 ] - [ 0.0000207000000000, 0.0000399700000000, 0.0000147300000000 ] - [ 0.0003279900000000, 0.0002839500000000, -0.0001344900000000 ] - [ -0.0035714100000000, 0.0220051000000000, -0.0000957000000000 ] - [ -0.0026400100000000, -0.0011212000000000, -0.0007701500000000 ] - [ -0.0006725200000000, 0.0015876500000000, -0.0002119300000000 ] - [ 0.0003985800000000, 0.0020521600000000, 0.0001567200000000 ] - [ -0.0000505800000000, 0.0009616600000000, 0.0001366500000000 ] - [ -0.0009873900000000, 0.0018500400000000, 0.0005229400000000 ] - [ -0.0146660300000000, -0.0076365200000000, 0.0109134000000000 ] - [ -0.0003364400000000, -0.0018909600000000, -0.0001290200000000 ] - [ -0.0014672700000000, 0.0006045800000000, -0.0003272800000000 ] - [ 0.0017054800000000, 0.0026368600000000, -0.0000194600000000 ] - [ -0.0159006600000000, -0.0587886300000000, -0.0045161600000000 ] - [ 0.0017008400000000, -0.0096459200000000, 0.0002853500000000 ] - [ -0.0000950000000000, 0.0024770400000000, -0.0000616500000000 ] - [ 0.0000809900000000, 0.0008105400000000, 0.0001087600000000 ] - [ 0.0001201500000000, 0.0008498200000000, 0.0001051600000000 ] - [ -0.0000596700000000, 0.0012574500000000, 0.0003202200000000 ] - [ -0.0002957000000000, 0.0019520600000000, -0.0000762500000000 ] - [ 0.0000336100000000, 0.0019519900000000, -0.0000351400000000 ] - [ 0.0013533500000000, 0.0026012500000000, 0.0006251200000000 ] - [ 0.0003331400000000, 0.0016197300000000, 0.0000515900000000 ] - [ 0.0005908100000000, -0.0054717100000000, 0.0002219500000000 ] - [ -0.0013842200000000, -0.0048068300000000, -0.0002161300000000 ] - [ 0.0001874400000000, 0.0015949400000000, 0.0000463400000000 ] - [ -0.0000394800000000, 0.0023282200000000, 0.0000450700000000 ] - [ -0.0006334000000000, 0.0021780800000000, -0.0005366900000000 ] - [ 0.0022264600000000, 0.0007540100000000, 0.0007899800000000 ] - [ 0.0001014200000000, 0.0015481600000000, 0.0000752100000000 ] - [ 0.0000550300000000, 0.0015205700000000, -0.0000212100000000 ] - [ 0.0001721400000000, -0.0021806900000000, 0.0000380800000000 ] - [ 0.0017348000000000, 0.0119669100000000, -0.0008541200000000 ] - [ -0.0008357800000000, 0.0027072900000000, -0.0007379700000000 ] - [ -0.0000843700000000, 0.0010994300000000, -0.0000563600000000 ] - [ -0.0041511400000000, -0.0011511400000000, -0.0080299700000000 ] - [ -0.0000486200000000, -0.0013961300000000, -0.0001322700000000 ] - [ 0.0024745700000000, 0.0009311700000000, 0.0001739500000000 ] - [ 0.0097127400000000, -0.0029986700000000, -0.0051729800000000 ] - [ -0.0001208000000000, 0.0019681400000000, -0.0000533700000000 ] - [ -0.0000716200000000, 0.0018386700000000, 0.0000074600000000 ] - [ 0.0054610100000000, -0.0038663800000000, 0.0103828100000000 ] - [ 0.0002240400000000, -0.0014222300000000, 0.0002492900000000 ] - [ 0.0004314500000000, 0.0042983700000000, 0.0001037000000000 ] - [ -0.0000249400000000, -0.0009978400000000, 0.0000488100000000 ] - [ -0.0006211300000000, -0.0016646400000000, 0.0003601900000000 ] - [ -0.0000425300000000, -0.0009168500000000, -0.0000478900000000 ] - [ 0.0007907000000000, 0.0036320900000000, -0.0002520400000000 ] - [ 0.0003835900000000, -0.0012512800000000, 0.0005854400000000 ] - [ 0.0005349900000000, -0.0012817100000000, -0.0003318300000000 ] - [ -0.0016958400000000, 0.0011610600000000, -0.0004855400000000 ] - [ -0.0005801400000000, -0.0009577300000000, -0.0002204100000000 ] - [ -0.0000897400000000, 0.0015808100000000, -0.0000628000000000 ] - [ 0.0001734100000000, -0.0010110800000000, 0.0000589000000000 ] - [ -0.0001241500000000, 0.0018770300000000, 0.0000637300000000 ] - [ -0.0003799000000000, 0.0002392000000000, -0.0001245100000000 ] - [ -0.0007448000000000, 0.0038150800000000, -0.0005162100000000 ] - [ -0.0000111000000000, -0.0011145100000000, -0.0000013700000000 ] - [ 0.0003738300000000, -0.0001354800000000, 0.0000213900000000 ] - [ 0.0004021200000000, 0.0000406500000000, 0.0001044500000000 ] - [ -0.0003661500000000, -0.0014588400000000, -0.0001341300000000 ] - [ -0.0005325800000000, -0.0003827400000000, 0.0000412500000000 ] - [ -0.0001636300000000, -0.0010842600000000, 0.0000038400000000 ] - [ -0.0002785100000000, -0.0018283100000000, -0.0000853800000000 ] - [ 0.0000615400000000, -0.0013099500000000, 0.0003270000000000 ] - [ 0.0121292500000000, 0.0208009200000000, 0.0023779300000000 ] - [ 0.0011075300000000, 0.0001377600000000, 0.0000952500000000 ] - [ -0.0001048500000000, -0.0017694100000000, 0.0001351400000000 ] - [ -0.0003409900000000, -0.0022438300000000, -0.0001709600000000 ] - [ 0.0009019300000000, 0.0031505300000000, 0.0010287900000000 ] - [ 0.0002721600000000, -0.0014300900000000, -0.0003499900000000 ] - [ 0.0007230500000000, 0.0024972800000000, 0.0003847000000000 ] - [ -0.0044966500000000, -0.0052195100000000, 0.0036123300000000 ] - [ -0.0015240900000000, -0.0044315300000000, -0.0055611600000000 ] - [ 0.0003715600000000, -0.0018347100000000, 0.0001793400000000 ] - [ 0.0000891100000000, -0.0015792900000000, -0.0001541700000000 ] - [ 0.0010464300000000, 0.0001404000000000, 0.0005562300000000 ] - [ 0.0001503300000000, -0.0010218200000000, 0.0000933500000000 ] - [ 0.0000071200000000, -0.0009100700000000, 0.0002800900000000 ] - [ 0.0002032700000000, 0.0016938800000000, -0.0002096500000000 ] - [ 0.0001385400000000, -0.0008724300000000, -0.0001337000000000 ] - [ -0.0016808500000000, 0.0002373400000000, -0.0003119100000000 ] - [ -0.0002189300000000, 0.0017542600000000, -0.0001508900000000 ] - [ -0.0000319400000000, -0.0013494000000000, -0.0000267600000000 ] - [ 0.0021237000000000, -0.0029008700000000, -0.0002811200000000 ] - [ 0.0004755300000000, 0.0017075800000000, -0.0005624500000000 ] - [ 0.0001913900000000, 0.0018689800000000, 0.0004165100000000 ] - [ -0.0000899900000000, -0.0011744500000000, 0.0000214600000000 ] - [ -0.0004296100000000, 0.0014557400000000, -0.0000171200000000 ] - [ 0.0000935700000000, -0.0020209500000000, -0.0000908700000000 ] - [ -0.0006725600000000, -0.0010260300000000, 0.0000712400000000 ] - [ -0.0006292000000000, -0.0012538200000000, -0.0006047500000000 ] - [ 0.0004505500000000, 0.0111164100000000, -0.0017011700000000 ] - [ 0.0005507500000000, 0.0114647000000000, 0.0019539500000000 ] - [ 0.0008109000000000, -0.0016863100000000, 0.0006514700000000 ] - [ 0.0015300400000000, -0.0013177100000000, 0.0019257000000000 ] - [ 0.0085452800000000, -0.0008227100000000, -0.0035167900000000 ] - [ -0.0000584300000000, -0.0015150600000000, -0.0000064000000000 ] - [ 0.0002982100000000, 0.0020825200000000, -0.0022812600000000 ]- atom: 15 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003414100000000, -0.0007827900000000, 0.0001782300000000 ] - [ -0.0000122300000000, -0.0006338000000000, 0.0000113300000000 ] - [ -0.0000167800000000, -0.0000640900000000, -0.0000300200000000 ] - [ -0.0003362700000000, -0.0002563000000000, 0.0001511900000000 ] - [ 0.0040145700000000, -0.0221682400000000, 0.0002647700000000 ] - [ 0.0022337800000000, 0.0007059700000000, 0.0006203200000000 ] - [ 0.0002820000000000, -0.0011829100000000, 0.0000572400000000 ] - [ -0.0000102100000000, -0.0016495000000000, -0.0000103000000000 ] - [ 0.0004322600000000, -0.0013547700000000, 0.0000177700000000 ] - [ 0.0006092700000000, -0.0022512900000000, -0.0006761500000000 ] - [ 0.0143649300000000, 0.0081906000000000, -0.0111542700000000 ] - [ 0.0007288700000000, 0.0022954900000000, 0.0002703400000000 ] - [ 0.0016232600000000, -0.0007405400000000, 0.0003460800000000 ] - [ -0.0015782900000000, -0.0026361400000000, -0.0000897900000000 ] - [ 0.0149514500000000, 0.0574034500000000, 0.0044336000000000 ] - [ -0.0015568500000000, 0.0096687600000000, -0.0003233200000000 ] - [ -0.0000581000000000, -0.0023541100000000, 0.0000423100000000 ] - [ -0.0002015300000000, -0.0008150100000000, -0.0000000900000000 ] - [ -0.0001600300000000, -0.0008543900000000, 0.0000796600000000 ] - [ -0.0000911000000000, -0.0013900400000000, -0.0003371700000000 ] - [ 0.0004454800000000, -0.0018286300000000, 0.0000935500000000 ] - [ 0.0000597000000000, -0.0020124500000000, -0.0000008500000000 ] - [ -0.0013092600000000, -0.0025981700000000, -0.0008054600000000 ] - [ -0.0003336100000000, -0.0016361400000000, -0.0001624200000000 ] - [ -0.0005485000000000, 0.0054826200000000, -0.0003126900000000 ] - [ 0.0012890900000000, 0.0048646500000000, 0.0002552600000000 ] - [ -0.0002826100000000, -0.0016543000000000, -0.0000090600000000 ] - [ 0.0000387000000000, -0.0023467700000000, 0.0000623900000000 ] - [ 0.0007946200000000, -0.0022997700000000, 0.0005598800000000 ] - [ -0.0021145500000000, -0.0007490100000000, -0.0009037200000000 ] - [ -0.0001027100000000, -0.0015315200000000, 0.0000320900000000 ] - [ 0.0000398100000000, -0.0014579600000000, -0.0000156100000000 ] - [ -0.0003266800000000, 0.0023076000000000, -0.0000550800000000 ] - [ -0.0018597800000000, -0.0120952000000000, 0.0009741600000000 ] - [ 0.0007963300000000, -0.0026996500000000, 0.0009290500000000 ] - [ -0.0000716600000000, -0.0012161200000000, 0.0000362800000000 ] - [ 0.0043102600000000, 0.0013492700000000, 0.0081002200000000 ] - [ 0.0001410600000000, 0.0013299100000000, 0.0000984700000000 ] - [ -0.0024358000000000, -0.0009236900000000, -0.0003586600000000 ] - [ -0.0096530900000000, 0.0029281400000000, 0.0050306900000000 ] - [ 0.0001256400000000, -0.0019497200000000, -0.0000535300000000 ] - [ -0.0000197300000000, -0.0017772600000000, 0.0000301500000000 ] - [ -0.0055346000000000, 0.0037302700000000, -0.0102858300000000 ] - [ -0.0002241000000000, 0.0014010800000000, -0.0001445200000000 ] - [ -0.0004126600000000, -0.0043933200000000, 0.0000413500000000 ] - [ 0.0001296600000000, 0.0011983900000000, 0.0000354900000000 ] - [ 0.0007379200000000, 0.0018575100000000, -0.0003307400000000 ] - [ -0.0000614500000000, 0.0011165400000000, -0.0000357100000000 ] - [ -0.0009259600000000, -0.0037798100000000, 0.0001192100000000 ] - [ -0.0002716200000000, 0.0012553500000000, -0.0006540800000000 ] - [ -0.0006374400000000, 0.0012852800000000, 0.0004005100000000 ] - [ 0.0015696000000000, -0.0013800600000000, 0.0004257000000000 ] - [ 0.0004740700000000, 0.0011466500000000, 0.0001880900000000 ] - [ 0.0001207100000000, -0.0018728800000000, 0.0001717300000000 ] - [ -0.0000705400000000, 0.0008089800000000, 0.0000255800000000 ] - [ 0.0002299200000000, -0.0016706900000000, 0.0000240000000000 ] - [ 0.0004909200000000, -0.0000472000000000, 0.0001589100000000 ] - [ 0.0006439200000000, -0.0036048000000000, 0.0004301300000000 ] - [ -0.0000933700000000, 0.0009133300000000, -0.0000836500000000 ] - [ -0.0002642500000000, 0.0001251500000000, -0.0000914600000000 ] - [ -0.0005088400000000, -0.0000527600000000, -0.0000320900000000 ] - [ 0.0002532200000000, 0.0012683300000000, 0.0000983200000000 ] - [ 0.0004222800000000, 0.0005741100000000, -0.0000750300000000 ] - [ 0.0002723600000000, 0.0008963800000000, 0.0000305100000000 ] - [ 0.0002685200000000, 0.0018296400000000, 0.0000249300000000 ] - [ -0.0002614700000000, 0.0013515600000000, -0.0005448000000000 ] - [ -0.0115943800000000, -0.0189931100000000, -0.0023817800000000 ] - [ -0.0008656600000000, -0.0001091200000000, 0.0000069700000000 ] - [ 0.0001537100000000, 0.0017207200000000, 0.0001204400000000 ] - [ 0.0000848200000000, 0.0019340800000000, 0.0000083900000000 ] - [ -0.0008525900000000, -0.0030692200000000, -0.0007653800000000 ] - [ -0.0005149100000000, 0.0014043200000000, 0.0002464300000000 ] - [ -0.0004688500000000, -0.0021775600000000, -0.0002215200000000 ] - [ 0.0042289700000000, 0.0052411600000000, -0.0037115900000000 ] - [ 0.0013071200000000, 0.0043813300000000, 0.0053233700000000 ] - [ -0.0001151800000000, 0.0015249600000000, -0.0000154500000000 ] - [ -0.0001383500000000, 0.0015301600000000, -0.0001006800000000 ] - [ -0.0008482500000000, -0.0001790600000000, -0.0003386800000000 ] - [ -0.0001416900000000, 0.0010282200000000, -0.0000348600000000 ] - [ 0.0002366300000000, 0.0008861800000000, -0.0001744800000000 ] - [ -0.0002522900000000, -0.0016439000000000, -0.0000474300000000 ] - [ 0.0000629900000000, 0.0009171200000000, 0.0003529400000000 ] - [ 0.0016703500000000, -0.0002421000000000, 0.0002549700000000 ] - [ 0.0000220900000000, -0.0017145700000000, -0.0000694800000000 ] - [ -0.0002224500000000, 0.0016608500000000, -0.0001375600000000 ] - [ -0.0019011000000000, 0.0029437800000000, 0.0003859600000000 ] - [ -0.0004258400000000, -0.0017565800000000, 0.0008037600000000 ] - [ -0.0004547700000000, -0.0021863800000000, -0.0005738100000000 ] - [ 0.0001418700000000, 0.0012207400000000, 0.0002344400000000 ] - [ 0.0001853200000000, -0.0014916800000000, -0.0000814000000000 ] - [ 0.0001605500000000, 0.0023345300000000, 0.0002552800000000 ] - [ 0.0004301300000000, 0.0010523600000000, -0.0001739700000000 ] - [ 0.0004290100000000, 0.0012095200000000, 0.0003837100000000 ] - [ -0.0001404000000000, -0.0114752300000000, 0.0018416000000000 ] - [ -0.0006224800000000, -0.0115109900000000, -0.0022660400000000 ] - [ -0.0006103400000000, 0.0016430700000000, -0.0004296100000000 ] - [ -0.0015340100000000, 0.0013144300000000, -0.0018877600000000 ] - [ -0.0081975700000000, 0.0005386400000000, 0.0036570900000000 ] - [ 0.0000078400000000, 0.0015641700000000, -0.0002502600000000 ] - [ -0.0001101800000000, -0.0020740400000000, 0.0025130000000000 ]- atom: 15 displacement: [ -0.0028145825136884, 0.0000000000000000, 0.0095957347438140 ] forces: - [ 0.0001002700000000, 0.0000225200000000, -0.0002561100000000 ] - [ 0.0000027300000000, -0.0000072000000000, -0.0000027500000000 ] - [ -0.0000416300000000, 0.0000067900000000, 0.0000098100000000 ] - [ -0.0001785600000000, 0.0002718200000000, -0.0000533300000000 ] - [ 0.0019058400000000, -0.0026542900000000, -0.0005241800000000 ] - [ -0.0000878000000000, -0.0002191300000000, -0.0005965500000000 ] - [ -0.0001615100000000, 0.0001842000000000, -0.0001021900000000 ] - [ 0.0001820400000000, 0.0001537300000000, 0.0000665500000000 ] - [ 0.0003245500000000, -0.0001229100000000, 0.0001332300000000 ] - [ -0.0002635000000000, -0.0001296400000000, 0.0000739600000000 ] - [ -0.0090234800000000, 0.0153516300000000, 0.0022454400000000 ] - [ -0.0005433000000000, 0.0001739900000000, -0.0002029700000000 ] - [ -0.0001850300000000, -0.0001771400000000, 0.0008683600000000 ] - [ -0.0001455800000000, -0.0002410000000000, -0.0000001600000000 ] - [ 0.0025406900000000, 0.0001144400000000, -0.0694189400000000 ] - [ -0.0093516700000000, 0.0006250400000000, 0.0302811200000000 ] - [ -0.0000882700000000, 0.0000440100000000, -0.0000017600000000 ] - [ 0.0000169200000000, 0.0000272300000000, 0.0000669800000000 ] - [ -0.0000366100000000, -0.0000083300000000, 0.0001103200000000 ] - [ 0.0000099800000000, 0.0006984200000000, 0.0011500100000000 ] - [ 0.0000828200000000, 0.0000449400000000, 0.0000315300000000 ] - [ 0.0000095600000000, -0.0000777600000000, -0.0000044100000000 ] - [ -0.0000586100000000, 0.0000072800000000, -0.0001792300000000 ] - [ -0.0000128400000000, 0.0000093600000000, -0.0000922500000000 ] - [ 0.0015386800000000, -0.0001006100000000, -0.0023329200000000 ] - [ -0.0008454200000000, 0.0001373200000000, 0.0021180300000000 ] - [ -0.0000725900000000, -0.0000045300000000, 0.0000408200000000 ] - [ -0.0000035900000000, -0.0000028800000000, 0.0000082800000000 ] - [ 0.0002587600000000, -0.0005288000000000, 0.0000128500000000 ] - [ 0.0001849300000000, 0.0002731100000000, -0.0007950100000000 ] - [ 0.0000202200000000, -0.0000086500000000, 0.0000607900000000 ] - [ 0.0000850300000000, 0.0000317200000000, -0.0000065900000000 ] - [ 0.0003059200000000, 0.0000824800000000, 0.0000974600000000 ] - [ 0.0022564300000000, 0.0007697600000000, -0.0020868700000000 ] - [ 0.0004067500000000, -0.0002568100000000, 0.0020973300000000 ] - [ -0.0001267700000000, 0.0000369900000000, -0.0000402500000000 ] - [ 0.0054029600000000, -0.0099276400000000, 0.0025482000000000 ] - [ 0.0002789500000000, -0.0001096900000000, 0.0000505900000000 ] - [ -0.0003104200000000, 0.0003397100000000, 0.0007098800000000 ] - [ -0.0046146800000000, -0.0076019600000000, 0.0010363600000000 ] - [ -0.0000080100000000, -0.0000373100000000, -0.0000468600000000 ] - [ -0.0000536000000000, -0.0000267000000000, 0.0000114400000000 ] - [ 0.0055643100000000, 0.0095034000000000, 0.0031561600000000 ] - [ -0.0001085100000000, -0.0001281600000000, -0.0000135600000000 ] - [ 0.0000619100000000, 0.0010445100000000, 0.0002610500000000 ] - [ 0.0000638800000000, 0.0001141100000000, 0.0000513400000000 ] - [ -0.0000161100000000, 0.0000936000000000, 0.0001167400000000 ] - [ -0.0000414600000000, 0.0001027200000000, -0.0000400500000000 ] - [ -0.0004866400000000, -0.0006343400000000, -0.0018076100000000 ] - [ 0.0000102300000000, 0.0000132600000000, -0.0000785500000000 ] - [ -0.0000709700000000, 0.0000610800000000, 0.0000938000000000 ] - [ -0.0007696900000000, -0.0003979100000000, -0.0004047600000000 ] - [ -0.0001047900000000, 0.0000740100000000, -0.0000491900000000 ] - [ -0.0024034200000000, -0.0020184600000000, 0.0027825500000000 ] - [ 0.0000182800000000, -0.0000750100000000, 0.0000268200000000 ] - [ -0.0001779200000000, 0.0002001800000000, 0.0004947800000000 ] - [ -0.0001074800000000, 0.0000348800000000, 0.0002873800000000 ] - [ 0.0003095100000000, 0.0000399400000000, -0.0012310100000000 ] - [ -0.0000789000000000, -0.0000502300000000, -0.0000654100000000 ] - [ 0.0002270400000000, -0.0000704600000000, -0.0009099200000000 ] - [ -0.0002868700000000, -0.0001531700000000, 0.0008526000000000 ] - [ -0.0000491400000000, -0.0000645200000000, -0.0000166500000000 ] - [ 0.0001693400000000, 0.0000000500000000, -0.0009435000000000 ] - [ 0.0000712600000000, -0.0000825500000000, -0.0000025100000000 ] - [ -0.0001362500000000, -0.0001124300000000, 0.0000220000000000 ] - [ -0.0001060400000000, 0.0000518300000000, -0.0001025100000000 ] - [ -0.0011394500000000, 0.0033335100000000, 0.0039632500000000 ] - [ 0.0000290500000000, 0.0000306600000000, -0.0000664300000000 ] - [ 0.0000296000000000, -0.0000024600000000, 0.0001223900000000 ] - [ -0.0001129800000000, -0.0001193800000000, -0.0000724200000000 ] - [ 0.0005072100000000, -0.0005445300000000, -0.0031732400000000 ] - [ -0.0001141700000000, 0.0000215500000000, -0.0000465600000000 ] - [ 0.0000836100000000, 0.0003194100000000, 0.0003840500000000 ] - [ -0.0006604000000000, 0.0003684100000000, -0.0005715500000000 ] - [ 0.0004293800000000, 0.0007137000000000, 0.0015642600000000 ] - [ 0.0001151300000000, -0.0001509500000000, 0.0000881600000000 ] - [ -0.0000414000000000, -0.0000244000000000, -0.0001389800000000 ] - [ 0.0002570400000000, 0.0000830500000000, 0.0000533900000000 ] - [ -0.0000478900000000, -0.0000017000000000, 0.0000764400000000 ] - [ 0.0000636700000000, -0.0000454200000000, 0.0000560900000000 ] - [ 0.0000154800000000, 0.0000057700000000, -0.0004071400000000 ] - [ 0.0001174900000000, 0.0000512300000000, 0.0001222300000000 ] - [ 0.0000387000000000, -0.0002623100000000, -0.0000701600000000 ] - [ 0.0000870400000000, -0.0000167900000000, 0.0001896300000000 ] - [ -0.0001860900000000, 0.0001852400000000, -0.0000974300000000 ] - [ -0.0000007500000000, -0.0000242800000000, -0.0000088800000000 ] - [ 0.0003143000000000, -0.0000698900000000, -0.0000091200000000 ] - [ -0.0006620400000000, -0.0001381700000000, -0.0000551300000000 ] - [ 0.0000777900000000, -0.0000491900000000, 0.0001463600000000 ] - [ 0.0001119800000000, -0.0001585800000000, -0.0001517500000000 ] - [ 0.0001467700000000, 0.0002079000000000, 0.0000578400000000 ] - [ -0.0001661800000000, -0.0000330000000000, -0.0000849400000000 ] - [ -0.0001886800000000, -0.0000933000000000, -0.0001164600000000 ] - [ -0.0024505000000000, -0.0039267500000000, 0.0001342400000000 ] - [ 0.0125011400000000, 0.0000499900000000, 0.0282822300000000 ] - [ -0.0001047500000000, 0.0001934600000000, -0.0000075300000000 ] - [ 0.0006230600000000, 0.0013362700000000, 0.0004031800000000 ] - [ -0.0008799800000000, -0.0040785200000000, 0.0051659700000000 ] - [ 0.0000271300000000, 0.0000926000000000, -0.0001001600000000 ] - [ -0.0000724300000000, -0.0019629700000000, -0.0051977800000000 ]- atom: 15 displacement: [ 0.0028145825136884, 0.0000000000000000, -0.0095957347438140 ] forces: - [ -0.0000960700000000, -0.0000626000000000, 0.0002386900000000 ] - [ -0.0000042600000000, 0.0000351800000000, 0.0000194200000000 ] - [ 0.0000455000000000, -0.0000422900000000, -0.0000260700000000 ] - [ 0.0001770200000000, -0.0002330800000000, 0.0000684100000000 ] - [ -0.0014882000000000, 0.0021639700000000, 0.0006729500000000 ] - [ -0.0002936100000000, -0.0001756500000000, 0.0004551600000000 ] - [ -0.0002088700000000, 0.0002129000000000, -0.0000481600000000 ] - [ 0.0001962500000000, 0.0002440800000000, 0.0000745000000000 ] - [ 0.0000723700000000, -0.0002829900000000, 0.0000257900000000 ] - [ -0.0001406600000000, -0.0002750900000000, -0.0002192100000000 ] - [ 0.0086759100000000, -0.0150460400000000, -0.0023457400000000 ] - [ 0.0009499700000000, 0.0002336400000000, 0.0003485200000000 ] - [ 0.0003367600000000, 0.0000622300000000, -0.0008550800000000 ] - [ 0.0002471600000000, 0.0002351200000000, -0.0000939200000000 ] - [ -0.0037799300000000, 0.0000366800000000, 0.0679586400000000 ] - [ 0.0094875100000000, -0.0005303900000000, -0.0302320500000000 ] - [ -0.0000637900000000, 0.0000719100000000, -0.0000142700000000 ] - [ -0.0001241300000000, -0.0000264100000000, 0.0000280300000000 ] - [ 0.0000004500000000, 0.0000092700000000, 0.0000916500000000 ] - [ -0.0001620500000000, -0.0007944500000000, -0.0011648800000000 ] - [ 0.0000700200000000, 0.0000713600000000, -0.0000162500000000 ] - [ 0.0000956700000000, 0.0000210500000000, -0.0000232500000000 ] - [ 0.0000913600000000, -0.0000116500000000, -0.0000278500000000 ] - [ -0.0000065500000000, -0.0000263200000000, -0.0000103500000000 ] - [ -0.0015143200000000, 0.0001102500000000, 0.0022526800000000 ] - [ 0.0007222800000000, -0.0000814700000000, -0.0020964200000000 ] - [ -0.0000319800000000, -0.0000521700000000, -0.0000155000000000 ] - [ 0.0000237100000000, -0.0000125300000000, 0.0000943500000000 ] - [ -0.0001076900000000, 0.0004053400000000, 0.0000004700000000 ] - [ -0.0000823800000000, -0.0002724200000000, 0.0006985300000000 ] - [ -0.0000005200000000, 0.0000229700000000, 0.0000394900000000 ] - [ 0.0000211200000000, 0.0000240000000000, -0.0000187600000000 ] - [ -0.0004523700000000, 0.0000415200000000, -0.0001100800000000 ] - [ -0.0023466500000000, -0.0007386300000000, 0.0021718500000000 ] - [ -0.0004488200000000, 0.0002429700000000, -0.0018943400000000 ] - [ -0.0000229100000000, -0.0001581500000000, 0.0000240800000000 ] - [ -0.0052101100000000, 0.0099981500000000, -0.0025332800000000 ] - [ -0.0001716700000000, 0.0000529700000000, -0.0000755300000000 ] - [ 0.0003491200000000, -0.0003375000000000, -0.0009155800000000 ] - [ 0.0045951900000000, 0.0076235200000000, -0.0011028700000000 ] - [ -0.0000104500000000, 0.0000505900000000, -0.0000542300000000 ] - [ -0.0000520700000000, 0.0000820900000000, 0.0000129700000000 ] - [ -0.0056296300000000, -0.0095092300000000, -0.0031476000000000 ] - [ 0.0001297000000000, 0.0001107800000000, 0.0001125900000000 ] - [ -0.0000311400000000, -0.0011780200000000, -0.0000872600000000 ] - [ 0.0000377100000000, 0.0000912000000000, 0.0000364600000000 ] - [ 0.0001251300000000, 0.0000970100000000, -0.0000806600000000 ] - [ -0.0000589200000000, 0.0001020500000000, -0.0000484800000000 ] - [ 0.0003830600000000, 0.0004485100000000, 0.0016877100000000 ] - [ 0.0000986100000000, -0.0000157900000000, -0.0000015500000000 ] - [ -0.0000411900000000, -0.0000626900000000, -0.0000148200000000 ] - [ 0.0006565900000000, 0.0001972900000000, 0.0003488800000000 ] - [ -0.0000040700000000, 0.0001167500000000, 0.0000140800000000 ] - [ 0.0024216200000000, 0.0017304400000000, -0.0026595700000000 ] - [ 0.0000824500000000, -0.0001244000000000, 0.0000583900000000 ] - [ 0.0002728400000000, 0.0000047300000000, -0.0004101700000000 ] - [ 0.0002158500000000, 0.0001519300000000, -0.0002545600000000 ] - [ -0.0004019100000000, 0.0001608000000000, 0.0011457500000000 ] - [ -0.0000221400000000, -0.0001497600000000, -0.0000213700000000 ] - [ -0.0001157000000000, 0.0000637900000000, 0.0008146900000000 ] - [ 0.0001708600000000, 0.0001455000000000, -0.0007616000000000 ] - [ -0.0000591000000000, -0.0001234800000000, -0.0000173600000000 ] - [ -0.0002795000000000, 0.0001863400000000, 0.0009055900000000 ] - [ 0.0000386500000000, -0.0001062800000000, 0.0000360200000000 ] - [ 0.0001264700000000, 0.0001135400000000, -0.0000822800000000 ] - [ -0.0000946700000000, -0.0000077100000000, -0.0001182300000000 ] - [ 0.0008506700000000, -0.0030656400000000, -0.0041296300000000 ] - [ 0.0002162900000000, -0.0000064700000000, 0.0001634900000000 ] - [ 0.0000211800000000, -0.0000455500000000, 0.0001314000000000 ] - [ -0.0001395100000000, -0.0001827900000000, -0.0000890200000000 ] - [ -0.0004884700000000, 0.0005606600000000, 0.0034148600000000 ] - [ -0.0001324600000000, -0.0000427500000000, -0.0000539000000000 ] - [ 0.0001655700000000, -0.0000079600000000, -0.0002250400000000 ] - [ 0.0004360100000000, -0.0003165000000000, 0.0004456500000000 ] - [ -0.0006256800000000, -0.0007400200000000, -0.0017582900000000 ] - [ 0.0001341000000000, -0.0001444900000000, 0.0000726700000000 ] - [ -0.0000087700000000, -0.0000239200000000, -0.0001150300000000 ] - [ -0.0000578400000000, -0.0001259200000000, 0.0001699300000000 ] - [ 0.0000562800000000, 0.0000021600000000, -0.0000184500000000 ] - [ 0.0001777900000000, 0.0000206800000000, 0.0000481100000000 ] - [ -0.0000634100000000, 0.0000420400000000, 0.0001530700000000 ] - [ 0.0000813100000000, -0.0000100900000000, 0.0000928300000000 ] - [ -0.0000473800000000, 0.0002625800000000, 0.0000142400000000 ] - [ -0.0002844700000000, 0.0000610800000000, -0.0004109000000000 ] - [ -0.0000656300000000, 0.0001197300000000, -0.0000658000000000 ] - [ 0.0002510500000000, 0.0000440700000000, 0.0001055100000000 ] - [ -0.0002644600000000, 0.0000203800000000, 0.0002431900000000 ] - [ 0.0004008200000000, -0.0001649900000000, -0.0000970900000000 ] - [ -0.0000274300000000, 0.0001014200000000, 0.0001072700000000 ] - [ -0.0003600900000000, 0.0001286300000000, 0.0000534100000000 ] - [ 0.0001072400000000, 0.0001002600000000, 0.0001027100000000 ] - [ -0.0000774600000000, 0.0000592500000000, -0.0000161500000000 ] - [ -0.0000128300000000, 0.0000503100000000, -0.0001072500000000 ] - [ 0.0031682900000000, 0.0036533300000000, -0.0002033400000000 ] - [ -0.0118051600000000, -0.0001400400000000, -0.0269153600000000 ] - [ 0.0003058300000000, -0.0002345500000000, 0.0002301100000000 ] - [ -0.0006133400000000, -0.0013278400000000, -0.0003372300000000 ] - [ 0.0011676200000000, 0.0040355500000000, -0.0050975500000000 ] - [ -0.0000767000000000, -0.0000402300000000, -0.0001547200000000 ] - [ 0.0002521700000000, 0.0020224400000000, 0.0054091200000000 ]- atom: 16 displacement: [ 0.0099999418370919, 0.0000000000000000, 0.0000341065210551 ] forces: - [ 0.0000102000000000, -0.0004939100000000, 0.0000344200000000 ] - [ 0.0000302700000000, -0.0000948500000000, -0.0000158500000000 ] - [ -0.0000514800000000, -0.0004039800000000, 0.0000297000000000 ] - [ 0.0000277800000000, -0.0000958800000000, 0.0000883500000000 ] - [ -0.0033480100000000, 0.0004029200000000, -0.0007881000000000 ] - [ 0.0015505200000000, -0.0017358200000000, -0.0000393500000000 ] - [ -0.0002215400000000, 0.0000710800000000, -0.0000842500000000 ] - [ -0.0000352100000000, 0.0002863700000000, 0.0000168200000000 ] - [ 0.0008642900000000, 0.0000114600000000, 0.0001106400000000 ] - [ -0.0003486800000000, -0.0005334600000000, 0.0000516300000000 ] - [ 0.0038985400000000, -0.0056172100000000, 0.0077125700000000 ] - [ 0.0025470900000000, 0.0009767700000000, 0.0008167400000000 ] - [ 0.0012584300000000, -0.0026915800000000, 0.0007624400000000 ] - [ 0.0000801600000000, 0.0009027500000000, -0.0000170900000000 ] - [ -0.0111320100000000, 0.0016335700000000, -0.0129363100000000 ] - [ -0.0754127600000000, -0.0094322100000000, 0.0126839700000000 ] - [ -0.0003420700000000, 0.0002207200000000, -0.0000886000000000 ] - [ 0.0008585700000000, -0.0002274900000000, 0.0003999100000000 ] - [ 0.0009528000000000, -0.0002349600000000, 0.0002718800000000 ] - [ -0.0050825600000000, 0.0022915700000000, -0.0017977000000000 ] - [ 0.0000646400000000, -0.0002945800000000, 0.0000047700000000 ] - [ -0.0001400500000000, -0.0000868900000000, -0.0000342000000000 ] - [ 0.0000668900000000, 0.0009790900000000, -0.0001006500000000 ] - [ -0.0000287900000000, 0.0002279100000000, -0.0000751800000000 ] - [ 0.0029210400000000, 0.0013413200000000, 0.0000111200000000 ] - [ 0.0093217800000000, 0.0008215200000000, 0.0029820900000000 ] - [ -0.0000603900000000, 0.0001345900000000, 0.0000160300000000 ] - [ -0.0001679400000000, 0.0000063800000000, -0.0000465800000000 ] - [ 0.0001284000000000, -0.0010241600000000, -0.0000354600000000 ] - [ 0.0014506500000000, 0.0017334800000000, 0.0002271100000000 ] - [ 0.0001249100000000, 0.0000148100000000, 0.0001176500000000 ] - [ 0.0001780100000000, 0.0000130700000000, -0.0000091000000000 ] - [ 0.0022705300000000, 0.0004850800000000, 0.0006570300000000 ] - [ -0.0033498300000000, -0.0000706400000000, -0.0007344800000000 ] - [ -0.0039152500000000, -0.0004367000000000, -0.0014294700000000 ] - [ 0.0005193100000000, 0.0001117800000000, 0.0002111600000000 ] - [ 0.0075332200000000, -0.0110442300000000, -0.0018494800000000 ] - [ 0.0034794900000000, 0.0001025700000000, 0.0007223600000000 ] - [ 0.0008419900000000, 0.0017175600000000, 0.0003188200000000 ] - [ 0.0035259300000000, 0.0055248800000000, 0.0068372300000000 ] - [ 0.0000165100000000, 0.0000351900000000, -0.0000427400000000 ] - [ -0.0000318700000000, 0.0000281500000000, 0.0000236300000000 ] - [ 0.0131262000000000, 0.0115981300000000, -0.0046899200000000 ] - [ 0.0028878000000000, 0.0000884600000000, 0.0011302900000000 ] - [ 0.0010844300000000, 0.0004366400000000, -0.0011353200000000 ] - [ 0.0001326600000000, 0.0001107800000000, 0.0000758000000000 ] - [ 0.0005326700000000, 0.0002391100000000, 0.0003088900000000 ] - [ 0.0000142500000000, 0.0001004700000000, -0.0000170100000000 ] - [ -0.0011537100000000, -0.0010481300000000, 0.0000802400000000 ] - [ 0.0005095900000000, 0.0002119300000000, -0.0003394300000000 ] - [ 0.0002414100000000, 0.0000866200000000, 0.0006006500000000 ] - [ -0.0009148300000000, -0.0015937400000000, 0.0006796300000000 ] - [ 0.0002636000000000, -0.0002353500000000, -0.0000198200000000 ] - [ 0.0015563500000000, -0.0025944500000000, -0.0015271300000000 ] - [ -0.0000504800000000, -0.0000580200000000, -0.0000055500000000 ] - [ -0.0022279600000000, 0.0000839800000000, -0.0005574800000000 ] - [ -0.0008972000000000, -0.0003650600000000, -0.0002295600000000 ] - [ -0.0028591400000000, -0.0002419000000000, -0.0010311100000000 ] - [ -0.0001246000000000, -0.0000287400000000, -0.0000721500000000 ] - [ -0.0005383800000000, 0.0007015000000000, -0.0005880600000000 ] - [ -0.0006905300000000, 0.0005859300000000, 0.0000938800000000 ] - [ -0.0002009700000000, -0.0002333900000000, -0.0000563300000000 ] - [ -0.0009728800000000, -0.0012140800000000, -0.0005927300000000 ] - [ -0.0001586400000000, -0.0000363300000000, -0.0000530000000000 ] - [ 0.0003210100000000, 0.0000996000000000, 0.0000219200000000 ] - [ 0.0001339800000000, -0.0002221800000000, -0.0000000700000000 ] - [ 0.0029040000000000, -0.0019201200000000, 0.0015427800000000 ] - [ -0.0014731100000000, 0.0004650000000000, 0.0001743800000000 ] - [ 0.0000822100000000, 0.0000135900000000, 0.0001344300000000 ] - [ -0.0000451400000000, -0.0002014100000000, -0.0000539900000000 ] - [ 0.0160459600000000, 0.0089006400000000, 0.0020463400000000 ] - [ 0.0001533400000000, -0.0002760600000000, -0.0000286800000000 ] - [ -0.0018789400000000, 0.0008107100000000, -0.0001752000000000 ] - [ 0.0015027000000000, -0.0012813400000000, -0.0005915300000000 ] - [ 0.0012128100000000, -0.0012888200000000, 0.0012959800000000 ] - [ 0.0000909500000000, -0.0001667900000000, 0.0000644000000000 ] - [ -0.0001714400000000, 0.0000376500000000, -0.0001576600000000 ] - [ -0.0010840600000000, 0.0004877400000000, -0.0007393900000000 ] - [ -0.0009165300000000, 0.0008859400000000, -0.0002033600000000 ] - [ 0.0000326200000000, -0.0000268100000000, -0.0000210700000000 ] - [ -0.0026177500000000, 0.0018722500000000, -0.0009979200000000 ] - [ 0.0000007600000000, 0.0000095300000000, 0.0001441300000000 ] - [ -0.0011351700000000, -0.0001583100000000, -0.0005132900000000 ] - [ -0.0015431400000000, -0.0010686700000000, -0.0009540600000000 ] - [ -0.0003126100000000, 0.0000349900000000, -0.0001136400000000 ] - [ 0.0007622800000000, -0.0002698200000000, 0.0001825000000000 ] - [ -0.0034840400000000, -0.0004834400000000, 0.0005927500000000 ] - [ -0.0027621500000000, -0.0006017600000000, -0.0017136000000000 ] - [ -0.0000473900000000, 0.0000587700000000, 0.0001034700000000 ] - [ -0.0015286400000000, -0.0005443500000000, -0.0001347400000000 ] - [ 0.0002465800000000, 0.0002836800000000, 0.0000920000000000 ] - [ -0.0011913500000000, -0.0008322300000000, -0.0000164800000000 ] - [ -0.0007126900000000, -0.0006114800000000, -0.0004714900000000 ] - [ 0.0075197400000000, -0.0002303800000000, 0.0038286200000000 ] - [ 0.0294103800000000, -0.0014885700000000, -0.0112609200000000 ] - [ 0.0005169200000000, -0.0000710700000000, 0.0001616600000000 ] - [ 0.0019668100000000, 0.0017329700000000, 0.0008959600000000 ] - [ 0.0024524400000000, 0.0024577400000000, 0.0000023900000000 ] - [ 0.0001978200000000, 0.0002433500000000, -0.0000556500000000 ] - [ 0.0049376500000000, 0.0011990200000000, -0.0001192100000000 ]- atom: 16 displacement: [ -0.0099999418370919, 0.0000000000000000, -0.0000341065210551 ] forces: - [ -0.0000081600000000, 0.0004608400000000, -0.0000479300000000 ] - [ -0.0000345600000000, 0.0001310500000000, 0.0000318400000000 ] - [ 0.0000563400000000, 0.0003630100000000, -0.0000460700000000 ] - [ -0.0000324800000000, 0.0001348800000000, -0.0000708000000000 ] - [ 0.0037777500000000, -0.0008161300000000, 0.0009529000000000 ] - [ -0.0019657300000000, 0.0013334600000000, -0.0001072100000000 ] - [ -0.0001673700000000, 0.0003341400000000, -0.0000700200000000 ] - [ 0.0004298300000000, 0.0001179800000000, 0.0001305800000000 ] - [ -0.0004703000000000, -0.0004176800000000, 0.0000459800000000 ] - [ -0.0000517000000000, 0.0001334300000000, -0.0002031700000000 ] - [ -0.0043327700000000, 0.0060494200000000, -0.0078674000000000 ] - [ -0.0021614200000000, -0.0005880000000000, -0.0006751500000000 ] - [ -0.0011091000000000, 0.0025964800000000, -0.0007560300000000 ] - [ 0.0000232400000000, -0.0009081900000000, -0.0000830600000000 ] - [ 0.0112186400000000, -0.0016274000000000, 0.0130358700000000 ] - [ 0.0737434900000000, 0.0091824200000000, -0.0119896300000000 ] - [ 0.0001937600000000, -0.0001063800000000, 0.0000735700000000 ] - [ -0.0009686100000000, 0.0002334300000000, -0.0003056400000000 ] - [ -0.0009925700000000, 0.0002385000000000, -0.0000696300000000 ] - [ 0.0049702900000000, -0.0024564800000000, 0.0017929600000000 ] - [ 0.0000881500000000, 0.0004154400000000, 0.0000101800000000 ] - [ 0.0002394400000000, 0.0000367500000000, 0.0000097100000000 ] - [ -0.0000381600000000, -0.0009819000000000, -0.0000997600000000 ] - [ 0.0000145600000000, -0.0002403900000000, -0.0000234400000000 ] - [ -0.0029510500000000, -0.0013370100000000, -0.0000928700000000 ] - [ -0.0095301400000000, -0.0007730700000000, -0.0030066000000000 ] - [ -0.0000359000000000, -0.0001890400000000, 0.0000088600000000 ] - [ 0.0001850400000000, -0.0000168400000000, 0.0001472200000000 ] - [ 0.0000208300000000, 0.0009148700000000, 0.0000515900000000 ] - [ -0.0013488800000000, -0.0017474000000000, -0.0003167000000000 ] - [ -0.0001086300000000, -0.0000021200000000, -0.0000168000000000 ] - [ -0.0000803300000000, 0.0000413000000000, -0.0000168800000000 ] - [ -0.0024348100000000, -0.0003824200000000, -0.0006769200000000 ] - [ 0.0032611200000000, 0.0000800000000000, 0.0008357800000000 ] - [ 0.0039058100000000, 0.0004796500000000, 0.0016454700000000 ] - [ -0.0006758200000000, -0.0002297900000000, -0.0002273800000000 ] - [ -0.0073379900000000, 0.0111001500000000, 0.0018283500000000 ] - [ -0.0033974400000000, -0.0001522700000000, -0.0007546100000000 ] - [ -0.0008054900000000, -0.0017348400000000, -0.0005278300000000 ] - [ -0.0035734700000000, -0.0055386400000000, -0.0069317400000000 ] - [ -0.0000332500000000, -0.0000216200000000, -0.0000571500000000 ] - [ -0.0000670500000000, 0.0000255400000000, 0.0000017600000000 ] - [ -0.0131177900000000, -0.0115374200000000, 0.0046438500000000 ] - [ -0.0028869300000000, -0.0000975400000000, -0.0010341100000000 ] - [ -0.0010172100000000, -0.0006253000000000, 0.0012102800000000 ] - [ -0.0000358200000000, 0.0000886900000000, 0.0000110900000000 ] - [ -0.0004319000000000, -0.0000574800000000, -0.0002777100000000 ] - [ -0.0001130500000000, 0.0000993500000000, -0.0000697000000000 ] - [ 0.0010116200000000, 0.0008900900000000, -0.0001419300000000 ] - [ -0.0003914600000000, -0.0001906000000000, 0.0002232000000000 ] - [ -0.0003637300000000, -0.0000656000000000, -0.0004856700000000 ] - [ 0.0008082200000000, 0.0014202400000000, -0.0007148300000000 ] - [ -0.0003728400000000, 0.0004221900000000, -0.0000149900000000 ] - [ -0.0014710100000000, 0.0024153300000000, 0.0015593800000000 ] - [ 0.0001493100000000, -0.0001423900000000, 0.0000931000000000 ] - [ 0.0023418600000000, 0.0001223700000000, 0.0006546900000000 ] - [ 0.0010091700000000, 0.0005482700000000, 0.0002660700000000 ] - [ 0.0027496800000000, 0.0004414800000000, 0.0009367200000000 ] - [ 0.0000293800000000, -0.0001726200000000, -0.0000142000000000 ] - [ 0.0006626800000000, -0.0007108500000000, 0.0004800700000000 ] - [ 0.0005741700000000, -0.0005939500000000, 0.0000172900000000 ] - [ 0.0000957500000000, 0.0000467600000000, 0.0000231400000000 ] - [ 0.0008810500000000, 0.0014055900000000, 0.0005592000000000 ] - [ 0.0002663100000000, -0.0001515800000000, 0.0000869100000000 ] - [ -0.0003363400000000, -0.0000934200000000, -0.0000847800000000 ] - [ -0.0003381900000000, 0.0002620300000000, -0.0002354500000000 ] - [ -0.0031686300000000, 0.0022448000000000, -0.0016979000000000 ] - [ 0.0017360400000000, -0.0004467100000000, -0.0000847900000000 ] - [ -0.0000330100000000, -0.0000692800000000, 0.0001225600000000 ] - [ -0.0002092900000000, -0.0001115700000000, -0.0001101300000000 ] - [ -0.0157189500000000, -0.0082957600000000, -0.0016931000000000 ] - [ -0.0004098700000000, 0.0002515300000000, -0.0000598200000000 ] - [ 0.0021406400000000, -0.0005048500000000, 0.0003358200000000 ] - [ -0.0017674300000000, 0.0013100200000000, 0.0005089800000000 ] - [ -0.0014168300000000, 0.0012505300000000, -0.0015374300000000 ] - [ 0.0001635800000000, -0.0001474100000000, 0.0001010000000000 ] - [ 0.0001242400000000, -0.0000928600000000, -0.0000983100000000 ] - [ 0.0012911000000000, -0.0005350300000000, 0.0009774500000000 ] - [ 0.0009386900000000, -0.0008935400000000, 0.0002657000000000 ] - [ 0.0002227800000000, -0.0000002200000000, 0.0001115500000000 ] - [ 0.0025856800000000, -0.0018418300000000, 0.0007496100000000 ] - [ 0.0002029200000000, 0.0000284000000000, 0.0000899900000000 ] - [ 0.0011231300000000, 0.0001638500000000, 0.0004519800000000 ] - [ 0.0013508500000000, 0.0011248500000000, 0.0007307100000000 ] - [ 0.0000606600000000, 0.0002759400000000, -0.0000505000000000 ] - [ -0.0005081600000000, 0.0002937100000000, -0.0000929100000000 ] - [ 0.0035590400000000, 0.0004374700000000, -0.0003484000000000 ] - [ 0.0025317500000000, 0.0003012000000000, 0.0015690700000000 ] - [ 0.0000962800000000, -0.0000065400000000, 0.0001528800000000 ] - [ 0.0012798500000000, 0.0005282100000000, 0.0000447900000000 ] - [ 0.0000058300000000, 0.0000225500000000, 0.0000720000000000 ] - [ 0.0009422400000000, 0.0008622900000000, -0.0000734800000000 ] - [ 0.0005140000000000, 0.0005758900000000, 0.0002392800000000 ] - [ -0.0071332300000000, -0.0001274900000000, -0.0034249600000000 ] - [ -0.0282672600000000, 0.0012759300000000, 0.0099341300000000 ] - [ -0.0003106300000000, 0.0000242800000000, 0.0000743500000000 ] - [ -0.0019526900000000, -0.0017383700000000, -0.0008412700000000 ] - [ -0.0022189300000000, -0.0025060000000000, 0.0001029600000000 ] - [ -0.0002476900000000, -0.0001932700000000, -0.0002014600000000 ] - [ -0.0046247500000000, -0.0013195000000000, 0.0004258600000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000309100000000, 0.0004336900000000, -0.0001153300000000 ] - [ 0.0000385100000000, 0.0006349400000000, -0.0000116800000000 ] - [ 0.0000376300000000, 0.0001124000000000, -0.0000363300000000 ] - [ 0.0001371600000000, 0.0002594600000000, 0.0003117400000000 ] - [ -0.0001144000000000, -0.0005288400000000, -0.0002549800000000 ] - [ -0.0017190400000000, -0.0004006300000000, -0.0005604400000000 ] - [ -0.0007547100000000, 0.0015230300000000, -0.0002186900000000 ] - [ 0.0005213900000000, 0.0018726300000000, 0.0001725600000000 ] - [ -0.0000262900000000, 0.0008958200000000, -0.0000994500000000 ] - [ -0.0004988200000000, 0.0016892700000000, -0.0007278300000000 ] - [ -0.0058654400000000, -0.0037567900000000, -0.0157490700000000 ] - [ -0.0005318300000000, -0.0019866300000000, -0.0002457100000000 ] - [ -0.0016661200000000, 0.0005866400000000, -0.0003609000000000 ] - [ 0.0008275300000000, 0.0019037700000000, 0.0006367100000000 ] - [ 0.0023506000000000, -0.0096442700000000, 0.0013430400000000 ] - [ -0.0096798400000000, -0.0510506300000000, -0.0010551800000000 ] - [ -0.0001955700000000, 0.0027331500000000, -0.0000894000000000 ] - [ 0.0001285100000000, 0.0009337200000000, 0.0000855500000000 ] - [ 0.0001911900000000, 0.0010013900000000, 0.0001487100000000 ] - [ -0.0022117200000000, 0.0147102600000000, -0.0009222600000000 ] - [ -0.0001737900000000, 0.0018472500000000, -0.0000468300000000 ] - [ 0.0001135500000000, 0.0020186000000000, 0.0000319300000000 ] - [ 0.0010450900000000, 0.0018776400000000, -0.0002837800000000 ] - [ 0.0002941400000000, 0.0016177300000000, 0.0000662200000000 ] - [ -0.0002907000000000, -0.0048225000000000, -0.0002440500000000 ] - [ -0.0008314200000000, -0.0050059900000000, -0.0001281400000000 ] - [ 0.0001097700000000, 0.0014691100000000, 0.0000292500000000 ] - [ -0.0000836300000000, 0.0019745800000000, 0.0000720000000000 ] - [ -0.0006797800000000, 0.0021771300000000, -0.0000418300000000 ] - [ 0.0021338300000000, 0.0006819200000000, 0.0008376600000000 ] - [ 0.0000867400000000, 0.0014934100000000, 0.0000741800000000 ] - [ 0.0000379400000000, 0.0014648000000000, -0.0000299700000000 ] - [ -0.0000002400000000, -0.0023514000000000, 0.0001378800000000 ] - [ -0.0008443400000000, 0.0026129500000000, 0.0004411200000000 ] - [ 0.0014255100000000, 0.0099229700000000, 0.0015316200000000 ] - [ -0.0001928100000000, 0.0010734400000000, 0.0000268200000000 ] - [ -0.0083115600000000, 0.0010676500000000, 0.0041035800000000 ] - [ -0.0000755400000000, -0.0012883100000000, -0.0001016200000000 ] - [ 0.0021505000000000, 0.0006750100000000, 0.0002356400000000 ] - [ 0.0051488900000000, -0.0038242700000000, 0.0113946200000000 ] - [ -0.0001208300000000, 0.0018118100000000, -0.0000235600000000 ] - [ -0.0000520700000000, 0.0017170300000000, -0.0000129300000000 ] - [ 0.0115659800000000, -0.0049910100000000, -0.0077970100000000 ] - [ 0.0002941500000000, -0.0013687900000000, 0.0002149800000000 ] - [ -0.0006737900000000, 0.0067363000000000, -0.0027504800000000 ] - [ -0.0000192100000000, -0.0009779200000000, 0.0000326100000000 ] - [ -0.0003244200000000, -0.0015773600000000, -0.0006165100000000 ] - [ -0.0000333400000000, -0.0009010400000000, -0.0000422400000000 ] - [ -0.0009148300000000, 0.0046898100000000, 0.0008675100000000 ] - [ 0.0005436200000000, -0.0010630400000000, -0.0002618800000000 ] - [ 0.0002358600000000, -0.0011460600000000, 0.0006436000000000 ] - [ -0.0021011900000000, 0.0007678000000000, 0.0000249200000000 ] - [ -0.0006310500000000, -0.0009305000000000, -0.0000602300000000 ] - [ -0.0003848500000000, 0.0005604500000000, -0.0013245700000000 ] - [ 0.0001697300000000, -0.0009924300000000, 0.0000688500000000 ] - [ -0.0007896300000000, 0.0030782300000000, -0.0000816400000000 ] - [ -0.0005822900000000, -0.0001777400000000, -0.0002720600000000 ] - [ -0.0003761500000000, 0.0027704500000000, -0.0001855200000000 ] - [ -0.0000145900000000, -0.0010586200000000, 0.0000040200000000 ] - [ 0.0006035100000000, -0.0001563000000000, 0.0001636200000000 ] - [ 0.0003483800000000, -0.0002645100000000, 0.0002189500000000 ] - [ -0.0003080700000000, -0.0012859700000000, -0.0001425300000000 ] - [ -0.0010822200000000, -0.0003605300000000, -0.0001870000000000 ] - [ -0.0000669600000000, -0.0010455800000000, 0.0000308000000000 ] - [ -0.0014720100000000, -0.0029751200000000, -0.0004506700000000 ] - [ -0.0000020400000000, -0.0011687200000000, 0.0003120900000000 ] - [ 0.0006779600000000, 0.0036568100000000, -0.0004516200000000 ] - [ 0.0009285500000000, 0.0000267100000000, 0.0001146300000000 ] - [ -0.0001360200000000, -0.0017016400000000, 0.0001325500000000 ] - [ -0.0003830400000000, -0.0021049900000000, -0.0001774100000000 ] - [ 0.0058805000000000, 0.0176481000000000, 0.0013367800000000 ] - [ 0.0002032600000000, -0.0012369600000000, -0.0003536800000000 ] - [ 0.0007733400000000, 0.0019426800000000, 0.0004409300000000 ] - [ -0.0004862500000000, -0.0008407600000000, -0.0016465900000000 ] - [ -0.0013642000000000, -0.0008460400000000, 0.0010696000000000 ] - [ 0.0004287700000000, -0.0018670800000000, 0.0001906500000000 ] - [ 0.0000854000000000, -0.0014356800000000, -0.0001561000000000 ] - [ 0.0009157300000000, 0.0000415900000000, 0.0004755900000000 ] - [ 0.0000505400000000, -0.0010861400000000, 0.0000841300000000 ] - [ 0.0000222600000000, -0.0009122700000000, 0.0002301600000000 ] - [ 0.0001483900000000, 0.0017938800000000, -0.0002656700000000 ] - [ 0.0001064000000000, -0.0008957200000000, -0.0000908300000000 ] - [ -0.0015153500000000, 0.0002655700000000, -0.0005971800000000 ] - [ -0.0002267600000000, 0.0016015000000000, -0.0001800300000000 ] - [ -0.0000143200000000, -0.0013050300000000, 0.0000153000000000 ] - [ 0.0010534500000000, -0.0016419900000000, -0.0000891300000000 ] - [ 0.0005609600000000, 0.0017288700000000, 0.0000789500000000 ] - [ 0.0004185800000000, 0.0018946700000000, 0.0001662700000000 ] - [ -0.0000469500000000, -0.0011504300000000, 0.0000047900000000 ] - [ -0.0002043200000000, 0.0016341800000000, -0.0000496400000000 ] - [ 0.0000132500000000, -0.0018551100000000, 0.0000803900000000 ] - [ -0.0007832400000000, -0.0011111000000000, 0.0001110200000000 ] - [ -0.0003895100000000, -0.0009892800000000, -0.0004251300000000 ] - [ 0.0005237100000000, 0.0086464800000000, 0.0034711600000000 ] - [ 0.0009245100000000, 0.0104440900000000, -0.0012430900000000 ] - [ 0.0012595000000000, -0.0024385500000000, 0.0011409100000000 ] - [ 0.0017166000000000, -0.0015119800000000, -0.0007207900000000 ] - [ -0.0013771300000000, 0.0011742000000000, 0.0018942800000000 ] - [ -0.0000821700000000, -0.0014517700000000, -0.0000896600000000 ] - [ 0.0044441100000000, -0.0024114900000000, 0.0067679600000000 ]- atom: 16 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000276400000000, -0.0004736600000000, 0.0001001900000000 ] - [ -0.0000413600000000, -0.0005907200000000, 0.0000282300000000 ] - [ -0.0000342900000000, -0.0001522500000000, 0.0000196100000000 ] - [ -0.0001434800000000, -0.0002158800000000, -0.0002992100000000 ] - [ 0.0004978000000000, 0.0001224700000000, 0.0004055500000000 ] - [ 0.0013330800000000, -0.0000043300000000, 0.0004139500000000 ] - [ 0.0003496900000000, -0.0011187100000000, 0.0000602900000000 ] - [ -0.0001166700000000, -0.0014663900000000, -0.0000234400000000 ] - [ 0.0004205300000000, -0.0012983300000000, 0.0002550100000000 ] - [ 0.0001073000000000, -0.0020964800000000, 0.0005916400000000 ] - [ 0.0054946100000000, 0.0042966000000000, 0.0157471800000000 ] - [ 0.0009353500000000, 0.0023996100000000, 0.0003951300000000 ] - [ 0.0018181600000000, -0.0007132200000000, 0.0003781600000000 ] - [ -0.0007074900000000, -0.0019073900000000, -0.0007322900000000 ] - [ -0.0023003600000000, 0.0096714500000000, -0.0012182200000000 ] - [ 0.0089344200000000, 0.0499905600000000, 0.0008242600000000 ] - [ 0.0000453000000000, -0.0026125200000000, 0.0000733300000000 ] - [ -0.0002412600000000, -0.0009378900000000, 0.0000131300000000 ] - [ -0.0002271500000000, -0.0010056400000000, 0.0000499900000000 ] - [ 0.0020777100000000, -0.0146820500000000, 0.0009078600000000 ] - [ 0.0003201700000000, -0.0017321800000000, 0.0000619700000000 ] - [ -0.0000179100000000, -0.0020783000000000, -0.0000595400000000 ] - [ -0.0010008900000000, -0.0018810200000000, 0.0000871600000000 ] - [ -0.0003057600000000, -0.0016345500000000, -0.0001655900000000 ] - [ 0.0002837900000000, 0.0048476300000000, 0.0001468700000000 ] - [ 0.0007689300000000, 0.0050653700000000, 0.0001592800000000 ] - [ -0.0002072000000000, -0.0015252600000000, -0.0000033800000000 ] - [ 0.0000939300000000, -0.0019930600000000, 0.0000274500000000 ] - [ 0.0008381400000000, -0.0022995800000000, 0.0000574700000000 ] - [ -0.0020237900000000, -0.0006772400000000, -0.0009383900000000 ] - [ -0.0000746800000000, -0.0014822200000000, 0.0000261800000000 ] - [ 0.0000600900000000, -0.0014141600000000, 0.0000032100000000 ] - [ -0.0001508900000000, 0.0024777000000000, -0.0001544100000000 ] - [ 0.0007355600000000, -0.0026115600000000, -0.0003475200000000 ] - [ -0.0014708700000000, -0.0100303900000000, -0.0013458600000000 ] - [ 0.0000394400000000, -0.0011895800000000, -0.0000438400000000 ] - [ 0.0085156700000000, -0.0008860500000000, -0.0041408000000000 ] - [ 0.0001718700000000, 0.0012364800000000, 0.0000760600000000 ] - [ -0.0021215600000000, -0.0006708300000000, -0.0004344600000000 ] - [ -0.0051313000000000, 0.0037702900000000, -0.0114422900000000 ] - [ 0.0001110800000000, -0.0018007900000000, -0.0000757900000000 ] - [ -0.0000443700000000, -0.0016657600000000, 0.0000397600000000 ] - [ -0.0116165100000000, 0.0048728200000000, 0.0077884100000000 ] - [ -0.0002818300000000, 0.0013532300000000, -0.0001163300000000 ] - [ 0.0006882900000000, -0.0068113300000000, 0.0026694500000000 ] - [ 0.0001210600000000, 0.0011818100000000, 0.0000548300000000 ] - [ 0.0004358400000000, 0.0017711400000000, 0.0006566000000000 ] - [ -0.0000660100000000, 0.0011040600000000, -0.0000440800000000 ] - [ 0.0007306500000000, -0.0048366500000000, -0.0009269200000000 ] - [ -0.0004198900000000, 0.0010463600000000, 0.0001417200000000 ] - [ -0.0003555200000000, 0.0011294600000000, -0.0005216300000000 ] - [ 0.0019810200000000, -0.0009784600000000, -0.0000565200000000 ] - [ 0.0005262400000000, 0.0011208000000000, 0.0000259600000000 ] - [ 0.0004745500000000, -0.0008237900000000, 0.0013097300000000 ] - [ -0.0000707400000000, 0.0007932000000000, 0.0000173600000000 ] - [ 0.0008857500000000, -0.0028765400000000, 0.0001683700000000 ] - [ 0.0006896600000000, 0.0003674300000000, 0.0003042400000000 ] - [ 0.0002795300000000, -0.0025707400000000, 0.0000993000000000 ] - [ -0.0000851300000000, 0.0008592200000000, -0.0000908400000000 ] - [ -0.0004849800000000, 0.0001412600000000, -0.0002741700000000 ] - [ -0.0004675700000000, 0.0002522900000000, -0.0001090900000000 ] - [ 0.0001959200000000, 0.0010995200000000, 0.0001084100000000 ] - [ 0.0009807300000000, 0.0005602900000000, 0.0001571400000000 ] - [ 0.0001750900000000, 0.0008609100000000, 0.0000021800000000 ] - [ 0.0014427800000000, 0.0029641800000000, 0.0003850800000000 ] - [ -0.0002012000000000, 0.0012159400000000, -0.0005448100000000 ] - [ -0.0009251300000000, -0.0033370800000000, 0.0002841500000000 ] - [ -0.0006802800000000, -0.0000020500000000, -0.0000188800000000 ] - [ 0.0001848100000000, 0.0016526700000000, 0.0001238100000000 ] - [ 0.0001319600000000, 0.0018044400000000, 0.0000150500000000 ] - [ -0.0050590600000000, -0.0164309000000000, -0.0008566800000000 ] - [ -0.0004572500000000, 0.0012192900000000, 0.0002616800000000 ] - [ -0.0005266500000000, -0.0016448900000000, -0.0002790000000000 ] - [ 0.0002330200000000, 0.0008655100000000, 0.0015436200000000 ] - [ 0.0011543400000000, 0.0008055400000000, -0.0012925200000000 ] - [ -0.0001782200000000, 0.0015693400000000, -0.0000275100000000 ] - [ -0.0001354100000000, 0.0013871100000000, -0.0000999500000000 ] - [ -0.0007165000000000, -0.0000812900000000, -0.0002493300000000 ] - [ -0.0000384300000000, 0.0010909000000000, -0.0000237200000000 ] - [ 0.0002327700000000, 0.0008953900000000, -0.0001376100000000 ] - [ -0.0001998800000000, -0.0017371500000000, 0.0000083200000000 ] - [ 0.0000966400000000, 0.0009431900000000, 0.0003239100000000 ] - [ 0.0015069000000000, -0.0002692600000000, 0.0005381100000000 ] - [ 0.0000252100000000, -0.0015648500000000, -0.0000510100000000 ] - [ -0.0002354800000000, 0.0016077800000000, -0.0001780900000000 ] - [ -0.0008014100000000, 0.0016652700000000, 0.0001820900000000 ] - [ -0.0005154500000000, -0.0017845600000000, 0.0001844300000000 ] - [ -0.0006732600000000, -0.0022036400000000, -0.0003329400000000 ] - [ 0.0000979500000000, 0.0012022900000000, 0.0002517900000000 ] - [ -0.0000468000000000, -0.0016600200000000, -0.0000431400000000 ] - [ 0.0002378100000000, 0.0021617500000000, 0.0000805900000000 ] - [ 0.0005313000000000, 0.0011326100000000, -0.0002049600000000 ] - [ 0.0001876900000000, 0.0009461100000000, 0.0001926900000000 ] - [ -0.0002390700000000, -0.0090209600000000, -0.0032724400000000 ] - [ -0.0009980900000000, -0.0105058900000000, 0.0010142600000000 ] - [ -0.0010687700000000, 0.0024098400000000, -0.0009197400000000 ] - [ -0.0017255400000000, 0.0015127300000000, 0.0007895300000000 ] - [ 0.0016318300000000, -0.0012286400000000, -0.0018175200000000 ] - [ 0.0000321600000000, 0.0015052100000000, -0.0001668000000000 ] - [ -0.0041851100000000, 0.0022676400000000, -0.0065505100000000 ]- atom: 16 displacement: [ -0.0028145825136884, 0.0000000000000000, 0.0095957347438140 ] forces: - [ -0.0000932500000000, -0.0001093800000000, 0.0003619700000000 ] - [ -0.0000030500000000, 0.0000380900000000, 0.0000185500000000 ] - [ 0.0000427200000000, -0.0000240600000000, -0.0000297600000000 ] - [ 0.0001723900000000, -0.0002342000000000, -0.0000022300000000 ] - [ -0.0005250400000000, -0.0003291800000000, 0.0012685400000000 ] - [ -0.0004230300000000, -0.0000716000000000, 0.0006642100000000 ] - [ -0.0002067200000000, 0.0001871500000000, -0.0000524600000000 ] - [ 0.0002072200000000, 0.0001998500000000, 0.0000798900000000 ] - [ 0.0000396800000000, -0.0002730500000000, 0.0001041700000000 ] - [ -0.0001846300000000, -0.0002755000000000, 0.0000867100000000 ] - [ 0.0055165200000000, -0.0145211800000000, 0.0052825000000000 ] - [ 0.0009071400000000, 0.0002498600000000, 0.0003050000000000 ] - [ 0.0004370100000000, 0.0000705500000000, -0.0010256600000000 ] - [ 0.0001643500000000, 0.0001433600000000, -0.0000186900000000 ] - [ -0.0082470400000000, -0.0001625200000000, 0.0306231300000000 ] - [ 0.0322963700000000, 0.0018336200000000, -0.0593199300000000 ] - [ -0.0000661000000000, 0.0000801400000000, -0.0000182700000000 ] - [ -0.0001357000000000, 0.0000122900000000, 0.0000300700000000 ] - [ -0.0000052000000000, 0.0000197500000000, 0.0000793700000000 ] - [ -0.0005540300000000, 0.0003948100000000, -0.0020815800000000 ] - [ 0.0000816900000000, 0.0000531500000000, -0.0000074000000000 ] - [ 0.0000782800000000, -0.0000510800000000, -0.0000377100000000 ] - [ -0.0000209700000000, -0.0001531700000000, -0.0001641100000000 ] - [ -0.0000135200000000, -0.0000539500000000, -0.0000226300000000 ] - [ -0.0004870100000000, -0.0001340800000000, 0.0021437100000000 ] - [ 0.0002011700000000, -0.0000625500000000, -0.0030916000000000 ] - [ -0.0000375000000000, -0.0000552200000000, -0.0000169300000000 ] - [ 0.0000352400000000, -0.0000004400000000, 0.0000859300000000 ] - [ -0.0000259600000000, 0.0003633500000000, -0.0000912800000000 ] - [ -0.0001739400000000, -0.0003036900000000, 0.0005077700000000 ] - [ -0.0000197200000000, 0.0000049300000000, 0.0000428100000000 ] - [ 0.0000155200000000, 0.0000094400000000, -0.0000279400000000 ] - [ -0.0004249100000000, 0.0000458700000000, -0.0000774100000000 ] - [ -0.0012625500000000, 0.0001569700000000, 0.0012533600000000 ] - [ -0.0007082600000000, -0.0010028100000000, -0.0022954400000000 ] - [ -0.0000302400000000, -0.0001422100000000, -0.0000205500000000 ] - [ -0.0049686400000000, 0.0100286700000000, -0.0019502700000000 ] - [ -0.0002116800000000, 0.0000274300000000, 0.0000073200000000 ] - [ 0.0003014900000000, -0.0001704000000000, -0.0006936600000000 ] - [ 0.0052691600000000, 0.0083874400000000, 0.0029716300000000 ] - [ 0.0000076100000000, 0.0000144600000000, -0.0000505300000000 ] - [ -0.0000412200000000, 0.0000466200000000, 0.0000163600000000 ] - [ -0.0081939200000000, -0.0107265700000000, -0.0015919600000000 ] - [ 0.0001178500000000, 0.0000744800000000, 0.0000867200000000 ] - [ 0.0000851600000000, -0.0031279600000000, 0.0042136800000000 ] - [ 0.0000398300000000, 0.0000986300000000, 0.0000439200000000 ] - [ 0.0000670900000000, 0.0001237000000000, 0.0001091200000000 ] - [ -0.0000562900000000, 0.0001064900000000, -0.0000461500000000 ] - [ 0.0013691900000000, 0.0007066300000000, 0.0003851700000000 ] - [ 0.0001339400000000, 0.0000289400000000, -0.0001443500000000 ] - [ -0.0000687300000000, -0.0000819200000000, 0.0000528900000000 ] - [ 0.0007926800000000, 0.0002988600000000, -0.0002616100000000 ] - [ 0.0000227700000000, 0.0001422700000000, -0.0000241600000000 ] - [ 0.0004588500000000, 0.0007906200000000, 0.0017285400000000 ] - [ 0.0000746000000000, -0.0001115700000000, 0.0000588500000000 ] - [ 0.0000279700000000, 0.0001275100000000, -0.0004886700000000 ] - [ 0.0001676800000000, 0.0001018800000000, -0.0002075500000000 ] - [ -0.0001737200000000, 0.0000902500000000, 0.0008996100000000 ] - [ -0.0000283800000000, -0.0001339500000000, -0.0000267800000000 ] - [ -0.0001277000000000, 0.0000014200000000, 0.0008871600000000 ] - [ 0.0001614800000000, 0.0000947900000000, -0.0006149300000000 ] - [ -0.0000526200000000, -0.0000834600000000, 0.0000038900000000 ] - [ -0.0003762400000000, 0.0001981300000000, 0.0010074000000000 ] - [ 0.0000611800000000, -0.0000928300000000, 0.0000374400000000 ] - [ 0.0000291900000000, 0.0000175000000000, -0.0000974000000000 ] - [ -0.0001051600000000, 0.0000290200000000, -0.0001252200000000 ] - [ 0.0009670800000000, 0.0002699800000000, -0.0030203700000000 ] - [ 0.0003167100000000, -0.0000243500000000, 0.0001481600000000 ] - [ 0.0000099000000000, -0.0000245500000000, 0.0001275800000000 ] - [ -0.0001300900000000, -0.0001436200000000, -0.0000848600000000 ] - [ -0.0044210300000000, -0.0034262100000000, 0.0076544500000000 ] - [ -0.0001396000000000, -0.0000119200000000, -0.0000539900000000 ] - [ 0.0003038200000000, 0.0001560000000000, -0.0005631800000000 ] - [ 0.0007251500000000, -0.0000832400000000, -0.0000729000000000 ] - [ -0.0006147400000000, 0.0002875600000000, -0.0002646000000000 ] - [ 0.0001407300000000, -0.0001289200000000, 0.0000749300000000 ] - [ -0.0000167100000000, -0.0000086000000000, -0.0001158100000000 ] - [ -0.0001123400000000, -0.0001344000000000, 0.0000788900000000 ] - [ 0.0000315800000000, 0.0000096300000000, -0.0000247800000000 ] - [ 0.0001769900000000, 0.0000263500000000, 0.0000349500000000 ] - [ -0.0000445300000000, -0.0000705800000000, 0.0002056000000000 ] - [ 0.0000801800000000, 0.0000001400000000, 0.0001046000000000 ] - [ -0.0000064100000000, 0.0001844700000000, 0.0000205500000000 ] - [ -0.0002214100000000, 0.0001039600000000, -0.0004019000000000 ] - [ -0.0000461900000000, 0.0001208700000000, -0.0000789600000000 ] - [ 0.0003221600000000, -0.0001260500000000, 0.0000430200000000 ] - [ -0.0002658800000000, 0.0001827100000000, 0.0000598000000000 ] - [ 0.0002270900000000, -0.0001909700000000, 0.0001961400000000 ] - [ -0.0000119100000000, 0.0001022700000000, 0.0001249700000000 ] - [ -0.0003980400000000, -0.0000016200000000, 0.0000974700000000 ] - [ 0.0001093100000000, 0.0001218100000000, 0.0000535800000000 ] - [ 0.0000188900000000, 0.0001273100000000, -0.0000249800000000 ] - [ -0.0000765800000000, -0.0000138900000000, -0.0001236500000000 ] - [ 0.0013878800000000, 0.0039180500000000, -0.0007048600000000 ] - [ -0.0199060000000000, 0.0005780900000000, 0.0151891900000000 ] - [ 0.0001237900000000, 0.0000545200000000, 0.0000942400000000 ] - [ -0.0008156700000000, -0.0011788900000000, -0.0000105200000000 ] - [ 0.0031446700000000, 0.0020153200000000, -0.0036850200000000 ] - [ -0.0000833800000000, -0.0000178300000000, -0.0001392000000000 ] - [ -0.0021057500000000, 0.0044161800000000, 0.0043388500000000 ]- atom: 16 displacement: [ 0.0028145825136884, 0.0000000000000000, -0.0095957347438140 ] forces: - [ 0.0000947800000000, 0.0000662900000000, -0.0003762500000000 ] - [ -0.0000006800000000, 0.0000094000000000, -0.0000026900000000 ] - [ -0.0000399600000000, -0.0000180800000000, 0.0000130900000000 ] - [ -0.0001734500000000, 0.0002803600000000, 0.0000208500000000 ] - [ 0.0009228900000000, -0.0000285200000000, -0.0011128500000000 ] - [ 0.0000189700000000, -0.0003405300000000, -0.0008142500000000 ] - [ -0.0001889900000000, 0.0002220700000000, -0.0001045100000000 ] - [ 0.0001932500000000, 0.0002048300000000, 0.0000681600000000 ] - [ 0.0003674000000000, -0.0001332600000000, 0.0000534900000000 ] - [ -0.0002263400000000, -0.0001307100000000, -0.0002400100000000 ] - [ -0.0058538000000000, 0.0148035300000000, -0.0054711900000000 ] - [ -0.0004927000000000, 0.0001588500000000, -0.0001527200000000 ] - [ -0.0002814600000000, -0.0001909400000000, 0.0010433600000000 ] - [ -0.0000416700000000, -0.0001427400000000, -0.0000804800000000 ] - [ 0.0082740300000000, 0.0001599700000000, -0.0305766500000000 ] - [ -0.0337738300000000, -0.0015981700000000, 0.0601368100000000 ] - [ -0.0000894100000000, 0.0000368600000000, 0.0000007800000000 ] - [ 0.0000122700000000, -0.0000120100000000, 0.0000652500000000 ] - [ -0.0000428300000000, -0.0000206100000000, 0.0001178100000000 ] - [ 0.0004176100000000, -0.0005803200000000, 0.0020754300000000 ] - [ 0.0000745900000000, 0.0000689900000000, 0.0000255500000000 ] - [ 0.0000132800000000, -0.0000045900000000, 0.0000091100000000 ] - [ 0.0000653800000000, 0.0001549200000000, -0.0000288700000000 ] - [ 0.0000107700000000, 0.0000395300000000, -0.0000756700000000 ] - [ 0.0004711700000000, 0.0001525300000000, -0.0022452300000000 ] - [ -0.0002593900000000, 0.0001147900000000, 0.0031240600000000 ] - [ -0.0000535000000000, -0.0000019400000000, 0.0000456600000000 ] - [ -0.0000319400000000, -0.0000140800000000, 0.0000134700000000 ] - [ 0.0001825000000000, -0.0004900200000000, 0.0001097900000000 ] - [ 0.0002975100000000, 0.0003067400000000, -0.0005997700000000 ] - [ 0.0000231900000000, 0.0000031500000000, 0.0000560000000000 ] - [ 0.0000770100000000, 0.0000416400000000, -0.0000002800000000 ] - [ 0.0002732300000000, 0.0000811700000000, 0.0000602000000000 ] - [ 0.0011321800000000, -0.0001700700000000, -0.0011606400000000 ] - [ 0.0006685600000000, 0.0010271700000000, 0.0025053400000000 ] - [ -0.0001271700000000, 0.0000184000000000, 0.0000029100000000 ] - [ 0.0051532100000000, -0.0099578900000000, 0.0019979300000000 ] - [ 0.0003056900000000, -0.0000797300000000, -0.0000366800000000 ] - [ -0.0002599300000000, 0.0001712500000000, 0.0004957400000000 ] - [ -0.0052314800000000, -0.0083357100000000, -0.0031210100000000 ] - [ -0.0000113800000000, -0.0000061100000000, -0.0000478500000000 ] - [ -0.0000512100000000, 0.0000044300000000, 0.0000110100000000 ] - [ 0.0081398600000000, 0.0107482000000000, 0.0016823100000000 ] - [ -0.0001149700000000, -0.0000842600000000, 0.0000147200000000 ] - [ -0.0000671700000000, 0.0030630700000000, -0.0043136800000000 ] - [ 0.0000558800000000, 0.0001008500000000, 0.0000447300000000 ] - [ 0.0000393100000000, 0.0000633800000000, -0.0000778900000000 ] - [ -0.0000406000000000, 0.0000928700000000, -0.0000436400000000 ] - [ -0.0015117600000000, -0.0008752300000000, -0.0004397700000000 ] - [ -0.0000121000000000, -0.0000249200000000, 0.0000167600000000 ] - [ -0.0000556400000000, 0.0000848500000000, 0.0000704400000000 ] - [ -0.0009047300000000, -0.0004904900000000, 0.0002400700000000 ] - [ -0.0001283200000000, 0.0000456900000000, -0.0000099000000000 ] - [ -0.0003695000000000, -0.0010401200000000, -0.0017804300000000 ] - [ 0.0000206300000000, -0.0000851700000000, 0.0000320400000000 ] - [ 0.0000713900000000, 0.0000670500000000, 0.0005819900000000 ] - [ -0.0000647300000000, 0.0000841200000000, 0.0002417300000000 ] - [ 0.0000733500000000, 0.0001054500000000, -0.0009948800000000 ] - [ -0.0000679300000000, -0.0000626600000000, -0.0000635100000000 ] - [ 0.0002508500000000, -0.0000074500000000, -0.0010193100000000 ] - [ -0.0002924100000000, -0.0001003700000000, 0.0007479600000000 ] - [ -0.0000527000000000, -0.0001015800000000, -0.0000383700000000 ] - [ 0.0002759700000000, -0.0000141100000000, -0.0010405600000000 ] - [ 0.0000431900000000, -0.0000920000000000, -0.0000030500000000 ] - [ -0.0000354300000000, -0.0000090300000000, 0.0000395600000000 ] - [ -0.0000956100000000, 0.0000171900000000, -0.0001064700000000 ] - [ -0.0012332100000000, -0.0000175100000000, 0.0028510500000000 ] - [ -0.0000688000000000, 0.0000453800000000, -0.0000513800000000 ] - [ 0.0000402700000000, -0.0000236700000000, 0.0001286400000000 ] - [ -0.0001180200000000, -0.0001537400000000, -0.0000767600000000 ] - [ 0.0044752500000000, 0.0034741300000000, -0.0073812700000000 ] - [ -0.0001123900000000, -0.0000074000000000, -0.0000370500000000 ] - [ -0.0000542400000000, 0.0001415100000000, 0.0007239100000000 ] - [ -0.0009826600000000, 0.0000963100000000, -0.0000072800000000 ] - [ 0.0004172300000000, -0.0003417700000000, 0.0000182300000000 ] - [ 0.0001087400000000, -0.0001721800000000, 0.0000873300000000 ] - [ -0.0000335600000000, -0.0000402000000000, -0.0001396400000000 ] - [ 0.0003125800000000, 0.0000895000000000, 0.0001481700000000 ] - [ -0.0000174300000000, -0.0000105700000000, 0.0000854100000000 ] - [ 0.0000757300000000, -0.0000442100000000, 0.0000564600000000 ] - [ -0.0000069400000000, 0.0001272100000000, -0.0004606100000000 ] - [ 0.0001205400000000, 0.0000470500000000, 0.0001291700000000 ] - [ -0.0000052400000000, -0.0001841600000000, -0.0000839900000000 ] - [ 0.0000172500000000, -0.0000630500000000, 0.0001700000000000 ] - [ -0.0002051400000000, 0.0001820700000000, -0.0000836500000000 ] - [ -0.0000670100000000, 0.0001476700000000, 0.0000483700000000 ] - [ 0.0003104200000000, -0.0002361600000000, 0.0002049800000000 ] - [ -0.0004793400000000, -0.0001149900000000, -0.0003641100000000 ] - [ 0.0000603800000000, -0.0000493100000000, 0.0001301100000000 ] - [ 0.0001458600000000, -0.0000188000000000, -0.0001917900000000 ] - [ 0.0001424500000000, 0.0001836500000000, 0.0001091000000000 ] - [ -0.0002758700000000, -0.0001079100000000, -0.0000677300000000 ] - [ -0.0001253200000000, -0.0000284900000000, -0.0001074100000000 ] - [ -0.0009832100000000, -0.0042126900000000, 0.0012307700000000 ] - [ 0.0212007000000000, -0.0008092600000000, -0.0164674200000000 ] - [ 0.0000802500000000, -0.0001007200000000, 0.0001373000000000 ] - [ 0.0008351200000000, 0.0011866600000000, 0.0000658600000000 ] - [ -0.0029086800000000, -0.0020154400000000, 0.0037754800000000 ] - [ 0.0000347000000000, 0.0000714800000000, -0.0001168900000000 ] - [ 0.0023244100000000, -0.0043965600000000, -0.0040484400000000 ]- atom: 19 displacement: [ 0.0099999418370919, 0.0000000000000000, 0.0000341065210551 ] forces: - [ -0.0000648200000000, -0.0002977100000000, 0.0001418400000000 ] - [ -0.0000648200000000, 0.0002977100000000, 0.0001418400000000 ] - [ -0.0000081100000000, -0.0000317100000000, -0.0000201700000000 ] - [ -0.0000081100000000, 0.0000317100000000, -0.0000201700000000 ] - [ 0.0024972400000000, -0.0001111100000000, 0.0015404000000000 ] - [ 0.0033657400000000, -0.0062033600000000, 0.0096423700000000 ] - [ 0.0033657400000000, 0.0062033600000000, 0.0096423700000000 ] - [ 0.0024972400000000, 0.0001111100000000, 0.0015404000000000 ] - [ 0.0000333500000000, -0.0001904500000000, 0.0000650900000000 ] - [ -0.0004954600000000, -0.0007696700000000, -0.0001475400000000 ] - [ -0.0004954600000000, 0.0007696700000000, -0.0001475400000000 ] - [ 0.0000333500000000, 0.0001904500000000, 0.0000650900000000 ] - [ 0.0101773200000000, -0.0119161200000000, -0.0041762600000000 ] - [ 0.0033346200000000, 0.0000000000000000, 0.0000925100000000 ] - [ 0.0009136700000000, 0.0001536000000000, 0.0002932200000000 ] - [ 0.0010197500000000, 0.0002292700000000, 0.0002967400000000 ] - [ 0.0025999700000000, -0.0002210000000000, 0.0005648800000000 ] - [ -0.0113027100000000, 0.0000000000000000, -0.0156220900000000 ] - [ -0.0885920400000000, 0.0000000000000000, 0.0243580200000000 ] - [ 0.0025999700000000, 0.0002210000000000, 0.0005648800000000 ] - [ 0.0101773200000000, 0.0119161200000000, -0.0041762600000000 ] - [ 0.0010197500000000, -0.0002292700000000, 0.0002967400000000 ] - [ 0.0102921100000000, 0.0000000000000000, 0.0022940100000000 ] - [ 0.0001383300000000, 0.0013149300000000, -0.0000825500000000 ] - [ 0.0001383300000000, -0.0013149300000000, -0.0000825500000000 ] - [ 0.0000032600000000, -0.0009991700000000, -0.0000225300000000 ] - [ 0.0000032600000000, 0.0009991700000000, -0.0000225300000000 ] - [ 0.0009136700000000, -0.0001536000000000, 0.0002932200000000 ] - [ 0.0000210200000000, -0.0003040900000000, 0.0000122200000000 ] - [ 0.0000341300000000, 0.0000000000000000, -0.0000594500000000 ] - [ -0.0040368800000000, -0.0008095900000000, -0.0006858800000000 ] - [ -0.0038546100000000, 0.0014556300000000, -0.0018778100000000 ] - [ -0.0003429300000000, -0.0000338800000000, -0.0001071900000000 ] - [ 0.0001898700000000, 0.0000000000000000, 0.0001276900000000 ] - [ 0.0002531800000000, 0.0000000000000000, 0.0001513700000000 ] - [ -0.0003429300000000, 0.0000338800000000, -0.0001071900000000 ] - [ 0.0000210200000000, 0.0003040900000000, 0.0000122200000000 ] - [ -0.0038546100000000, -0.0014556300000000, -0.0018778100000000 ] - [ -0.0000170200000000, 0.0000000000000000, -0.0001148900000000 ] - [ 0.0018514100000000, 0.0024342800000000, 0.0001634900000000 ] - [ 0.0018514100000000, -0.0024342800000000, 0.0001634900000000 ] - [ 0.0007757500000000, -0.0021081000000000, 0.0005365800000000 ] - [ 0.0007757500000000, 0.0021081000000000, 0.0005365800000000 ] - [ -0.0040368800000000, 0.0008095900000000, -0.0006858800000000 ] - [ -0.0008472600000000, 0.0004797000000000, -0.0001961600000000 ] - [ -0.0008472600000000, -0.0004797000000000, -0.0001961600000000 ] - [ -0.0001375000000000, 0.0000558400000000, -0.0000647500000000 ] - [ -0.0008640200000000, -0.0009915600000000, -0.0005518100000000 ] - [ -0.0008640200000000, 0.0009915600000000, -0.0005518100000000 ] - [ -0.0015443900000000, 0.0000000000000000, -0.0008486600000000 ] - [ -0.0012086000000000, 0.0000000000000000, -0.0000804300000000 ] - [ -0.0002206300000000, 0.0001017100000000, -0.0000016800000000 ] - [ -0.0002206300000000, -0.0001017100000000, -0.0000016800000000 ] - [ -0.0001375000000000, -0.0000558400000000, -0.0000647500000000 ] - [ 0.0007302100000000, -0.0001038600000000, 0.0005938400000000 ] - [ 0.0007302100000000, 0.0001038600000000, 0.0005938400000000 ] - [ 0.0018913000000000, -0.0024776900000000, -0.0026393200000000 ] - [ 0.0004860300000000, -0.0002312500000000, -0.0000982300000000 ] - [ 0.0004860300000000, 0.0002312500000000, -0.0000982300000000 ] - [ 0.0001294800000000, 0.0000000000000000, -0.0000233900000000 ] - [ 0.0000154100000000, 0.0000000000000000, 0.0000880700000000 ] - [ -0.0011817300000000, 0.0003067600000000, 0.0008175000000000 ] - [ -0.0011817300000000, -0.0003067600000000, 0.0008175000000000 ] - [ 0.0018913000000000, 0.0024776900000000, -0.0026393200000000 ] - [ -0.0035284300000000, 0.0000000000000000, 0.0003232200000000 ] - [ -0.0027199400000000, 0.0022421400000000, -0.0018753000000000 ] - [ -0.0014972700000000, -0.0000397200000000, -0.0003822900000000 ] - [ 0.0019521600000000, 0.0005897800000000, 0.0003430000000000 ] - [ -0.0012671800000000, 0.0001751000000000, -0.0005915300000000 ] - [ -0.0014972700000000, 0.0000397200000000, -0.0003822900000000 ] - [ -0.0012671800000000, -0.0001751000000000, -0.0005915300000000 ] - [ -0.0021308300000000, 0.0009078000000000, -0.0001038700000000 ] - [ 0.0018433400000000, 0.0049006000000000, -0.0013450000000000 ] - [ -0.0021308300000000, -0.0009078000000000, -0.0001038700000000 ] - [ -0.0027199400000000, -0.0022421400000000, -0.0018753000000000 ] - [ 0.0018433400000000, -0.0049006000000000, -0.0013450000000000 ] - [ 0.0021058500000000, -0.0023633100000000, 0.0012425900000000 ] - [ 0.0147829400000000, -0.0115587600000000, 0.0020087300000000 ] - [ 0.0370938600000000, 0.0000000000000000, -0.0171165900000000 ] - [ 0.0019521600000000, -0.0005897800000000, 0.0003430000000000 ] - [ 0.0021058500000000, 0.0023633100000000, 0.0012425900000000 ] - [ 0.0147829400000000, 0.0115587600000000, 0.0020087300000000 ] - [ 0.0000843000000000, 0.0000000000000000, -0.0000016100000000 ] - [ 0.0000481400000000, 0.0001148300000000, -0.0000103600000000 ] - [ 0.0005109200000000, 0.0004594000000000, 0.0001500100000000 ] - [ -0.0000491800000000, 0.0001684300000000, 0.0001401600000000 ] - [ 0.0004199300000000, -0.0000089800000000, 0.0001803300000000 ] - [ 0.0005109200000000, -0.0004594000000000, 0.0001500100000000 ] - [ 0.0004199300000000, 0.0000089800000000, 0.0001803300000000 ] - [ 0.0001273000000000, 0.0001028400000000, -0.0000791700000000 ] - [ -0.0003717700000000, 0.0015589800000000, -0.0001083400000000 ] - [ 0.0001273000000000, -0.0001028400000000, -0.0000791700000000 ] - [ 0.0000481400000000, -0.0001148300000000, -0.0000103600000000 ] - [ -0.0003717700000000, -0.0015589800000000, -0.0001083400000000 ] - [ -0.0007697600000000, -0.0008556600000000, -0.0003012400000000 ] - [ 0.0000420600000000, 0.0001309500000000, -0.0000439600000000 ] - [ -0.0001880100000000, 0.0000000000000000, -0.0000078900000000 ] - [ -0.0000491800000000, -0.0001684300000000, 0.0001401600000000 ] - [ -0.0007697600000000, 0.0008556600000000, -0.0003012400000000 ] - [ 0.0000420600000000, -0.0001309500000000, -0.0000439600000000 ]- atom: 19 displacement: [ -0.0099999418370919, 0.0000000000000000, -0.0000341065210551 ] forces: - [ 0.0000623200000000, 0.0002497600000000, -0.0001336700000000 ] - [ 0.0000623200000000, -0.0002497600000000, -0.0001336700000000 ] - [ 0.0000082800000000, -0.0000112800000000, 0.0000206200000000 ] - [ 0.0000082800000000, 0.0000112800000000, 0.0000206200000000 ] - [ -0.0021065800000000, -0.0003060100000000, -0.0014062900000000 ] - [ -0.0037526400000000, 0.0057916300000000, -0.0098315400000000 ] - [ -0.0037526400000000, -0.0057916300000000, -0.0098315400000000 ] - [ -0.0021065800000000, 0.0003060100000000, -0.0014062900000000 ] - [ 0.0003656300000000, -0.0002239500000000, 0.0000869700000000 ] - [ 0.0000989200000000, 0.0003603000000000, -0.0000038300000000 ] - [ 0.0000989200000000, -0.0003603000000000, -0.0000038300000000 ] - [ 0.0003656300000000, 0.0002239500000000, 0.0000869700000000 ] - [ -0.0099463600000000, 0.0117033300000000, 0.0041358800000000 ] - [ -0.0032461000000000, 0.0000000000000000, -0.0001628200000000 ] - [ -0.0008935900000000, -0.0001376100000000, -0.0001988200000000 ] - [ -0.0009294400000000, -0.0001795000000000, -0.0003169800000000 ] - [ -0.0027701800000000, 0.0003549000000000, -0.0005839300000000 ] - [ 0.0112553900000000, 0.0000000000000000, 0.0156765800000000 ] - [ 0.0864241200000000, 0.0000000000000000, -0.0230798400000000 ] - [ -0.0027701800000000, -0.0003549000000000, -0.0005839300000000 ] - [ -0.0099463600000000, -0.0117033300000000, 0.0041358800000000 ] - [ -0.0009294400000000, 0.0001795000000000, -0.0003169800000000 ] - [ -0.0103852400000000, 0.0000000000000000, -0.0025482000000000 ] - [ -0.0001663200000000, -0.0013443200000000, -0.0000136200000000 ] - [ -0.0001663200000000, 0.0013443200000000, -0.0000136200000000 ] - [ -0.0001007700000000, 0.0010547800000000, 0.0000419800000000 ] - [ -0.0001007700000000, -0.0010547800000000, 0.0000419800000000 ] - [ -0.0008935900000000, 0.0001376100000000, -0.0001988200000000 ] - [ 0.0001373500000000, 0.0001830000000000, 0.0000042600000000 ] - [ 0.0000695400000000, 0.0000000000000000, -0.0000332400000000 ] - [ 0.0040748000000000, 0.0008190900000000, 0.0007871800000000 ] - [ 0.0039604200000000, -0.0014384900000000, 0.0018642900000000 ] - [ 0.0001876900000000, 0.0001590000000000, 0.0000918900000000 ] - [ -0.0002944200000000, 0.0000000000000000, -0.0000345000000000 ] - [ -0.0002883800000000, 0.0000000000000000, 0.0000543600000000 ] - [ 0.0001876900000000, -0.0001590000000000, 0.0000918900000000 ] - [ 0.0001373500000000, -0.0001830000000000, 0.0000042600000000 ] - [ 0.0039604200000000, 0.0014384900000000, 0.0018642900000000 ] - [ 0.0000512300000000, 0.0000000000000000, -0.0000907200000000 ] - [ -0.0018798900000000, -0.0024690100000000, -0.0002484600000000 ] - [ -0.0018798900000000, 0.0024690100000000, -0.0002484600000000 ] - [ -0.0008680200000000, 0.0021779000000000, -0.0005237900000000 ] - [ -0.0008680200000000, -0.0021779000000000, -0.0005237900000000 ] - [ 0.0040748000000000, -0.0008190900000000, 0.0007871800000000 ] - [ 0.0009553400000000, -0.0006804600000000, 0.0002834600000000 ] - [ 0.0009553400000000, 0.0006804600000000, 0.0002834600000000 ] - [ 0.0002513100000000, 0.0001340200000000, 0.0001002900000000 ] - [ 0.0007657200000000, 0.0011926300000000, 0.0004682800000000 ] - [ 0.0007657200000000, -0.0011926300000000, 0.0004682800000000 ] - [ 0.0016476100000000, 0.0000000000000000, 0.0007542500000000 ] - [ 0.0011026100000000, 0.0000000000000000, 0.0001775600000000 ] - [ 0.0001108800000000, -0.0002922400000000, -0.0000330300000000 ] - [ 0.0001108800000000, 0.0002922400000000, -0.0000330300000000 ] - [ 0.0002513100000000, -0.0001340200000000, 0.0001002900000000 ] - [ -0.0006315000000000, -0.0000961000000000, -0.0005131700000000 ] - [ -0.0006315000000000, 0.0000961000000000, -0.0005131700000000 ] - [ -0.0018146500000000, 0.0026540400000000, 0.0026608500000000 ] - [ -0.0005936600000000, 0.0004349300000000, 0.0000140400000000 ] - [ -0.0005936600000000, -0.0004349300000000, 0.0000140400000000 ] - [ -0.0000138200000000, 0.0000000000000000, -0.0000784700000000 ] - [ -0.0001330400000000, 0.0000000000000000, 0.0000136200000000 ] - [ 0.0010657100000000, -0.0004904400000000, -0.0008530800000000 ] - [ 0.0010657100000000, 0.0004904400000000, -0.0008530800000000 ] - [ -0.0018146500000000, -0.0026540400000000, 0.0026608500000000 ] - [ 0.0035451100000000, 0.0000000000000000, -0.0003951500000000 ] - [ 0.0025407700000000, -0.0022272600000000, 0.0016696700000000 ] - [ 0.0012479700000000, 0.0003493500000000, 0.0002198300000000 ] - [ -0.0017091300000000, -0.0005842000000000, -0.0002303900000000 ] - [ 0.0013170700000000, -0.0002341400000000, 0.0008479500000000 ] - [ 0.0012479700000000, -0.0003493500000000, 0.0002198300000000 ] - [ 0.0013170700000000, 0.0002341400000000, 0.0008479500000000 ] - [ 0.0018858200000000, -0.0009379200000000, 0.0000052700000000 ] - [ -0.0015995400000000, -0.0046252100000000, 0.0015225300000000 ] - [ 0.0018858200000000, 0.0009379200000000, 0.0000052700000000 ] - [ 0.0025407700000000, 0.0022272600000000, 0.0016696700000000 ] - [ -0.0015995400000000, 0.0046252100000000, 0.0015225300000000 ] - [ -0.0021493000000000, 0.0023145200000000, -0.0015052400000000 ] - [ -0.0142464600000000, 0.0109650500000000, -0.0015363600000000 ] - [ -0.0356923300000000, 0.0000000000000000, 0.0157998500000000 ] - [ -0.0017091300000000, 0.0005842000000000, -0.0002303900000000 ] - [ -0.0021493000000000, -0.0023145200000000, -0.0015052400000000 ] - [ -0.0142464600000000, -0.0109650500000000, -0.0015363600000000 ] - [ -0.0000933600000000, 0.0000000000000000, -0.0000569000000000 ] - [ -0.0002506700000000, -0.0000722400000000, -0.0002145700000000 ] - [ -0.0007678000000000, -0.0001545200000000, -0.0003148400000000 ] - [ 0.0003000900000000, -0.0001480300000000, -0.0000424400000000 ] - [ -0.0003685700000000, -0.0000475800000000, 0.0000765200000000 ] - [ -0.0007678000000000, 0.0001545200000000, -0.0003148400000000 ] - [ -0.0003685700000000, 0.0000475800000000, 0.0000765200000000 ] - [ -0.0003781300000000, -0.0001254100000000, -0.0000193400000000 ] - [ 0.0006278700000000, -0.0012636300000000, 0.0002750000000000 ] - [ -0.0003781300000000, 0.0001254100000000, -0.0000193400000000 ] - [ -0.0002506700000000, 0.0000722400000000, -0.0002145700000000 ] - [ 0.0006278700000000, 0.0012636300000000, 0.0002750000000000 ] - [ 0.0007249300000000, 0.0008095600000000, 0.0000440000000000 ] - [ 0.0001603800000000, -0.0001757800000000, 0.0002710400000000 ] - [ 0.0001989000000000, 0.0000000000000000, 0.0000668300000000 ] - [ 0.0003000900000000, 0.0001480300000000, -0.0000424400000000 ] - [ 0.0007249300000000, -0.0008095600000000, 0.0000440000000000 ] - [ 0.0001603800000000, 0.0001757800000000, 0.0002710400000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000997600000000, -0.0017097600000000, 0.0004518500000000 ] - [ 0.0000998900000000, -0.0016778000000000, -0.0004536100000000 ] - [ -0.0000103200000000, 0.0005855200000000, -0.0000403000000000 ] - [ 0.0000104400000000, 0.0006139700000000, 0.0000397200000000 ] - [ -0.0002901800000000, -0.0008790200000000, -0.0001274200000000 ] - [ -0.0031058500000000, 0.0054304900000000, -0.0174706900000000 ] - [ 0.0027523100000000, 0.0058643700000000, 0.0173905600000000 ] - [ 0.0006844300000000, -0.0004848400000000, 0.0002854400000000 ] - [ -0.0002804500000000, 0.0018319100000000, -0.0000514500000000 ] - [ -0.0001821100000000, 0.0012431600000000, -0.0000281400000000 ] - [ -0.0002102000000000, 0.0016393600000000, -0.0001212700000000 ] - [ 0.0006682100000000, 0.0022302200000000, 0.0002030800000000 ] - [ -0.0086808000000000, -0.0019356000000000, 0.0058252700000000 ] - [ 0.0000556600000000, -0.0054034100000000, -0.0000527300000000 ] - [ -0.0001155600000000, 0.0008565800000000, 0.0000112600000000 ] - [ -0.0001894500000000, 0.0010358400000000, -0.0000679100000000 ] - [ -0.0002746300000000, -0.0022098100000000, -0.0000638600000000 ] - [ -0.0000431700000000, -0.0120490000000000, 0.0000790400000000 ] - [ -0.0006285800000000, -0.0576870800000000, -0.0002299200000000 ] - [ 0.0001190700000000, -0.0023167400000000, 0.0000443200000000 ] - [ 0.0088661300000000, -0.0018989400000000, -0.0058431300000000 ] - [ 0.0002849000000000, 0.0009746200000000, 0.0000319100000000 ] - [ 0.0000389300000000, -0.0061044700000000, -0.0000960600000000 ] - [ 0.0010866900000000, 0.0025962700000000, 0.0002784800000000 ] - [ -0.0010813900000000, 0.0026041400000000, -0.0003794500000000 ] - [ -0.0010247600000000, 0.0019087700000000, -0.0001078000000000 ] - [ 0.0009359600000000, 0.0018503900000000, 0.0001424700000000 ] - [ 0.0001150200000000, 0.0008473200000000, 0.0000961200000000 ] - [ -0.0001334300000000, 0.0019947900000000, -0.0000868800000000 ] - [ 0.0000569000000000, 0.0022418100000000, -0.0000514200000000 ] - [ 0.0002087100000000, 0.0027028800000000, -0.0001458700000000 ] - [ -0.0004019000000000, 0.0100488900000000, -0.0012125000000000 ] - [ 0.0001500700000000, 0.0028678600000000, 0.0000079600000000 ] - [ -0.0000554700000000, 0.0017945000000000, 0.0000527900000000 ] - [ -0.0000181900000000, 0.0018757900000000, 0.0000966600000000 ] - [ -0.0003062600000000, 0.0027591200000000, -0.0000283900000000 ] - [ 0.0002858600000000, 0.0021096600000000, 0.0001037000000000 ] - [ 0.0005067000000000, 0.0099042100000000, 0.0011708500000000 ] - [ 0.0000173900000000, 0.0022304500000000, -0.0000971000000000 ] - [ 0.0020400900000000, 0.0009289400000000, 0.0008963400000000 ] - [ -0.0020380900000000, 0.0009259200000000, -0.0010034500000000 ] - [ -0.0017755100000000, 0.0006988400000000, -0.0003097300000000 ] - [ 0.0016742800000000, 0.0006476600000000, 0.0003450600000000 ] - [ -0.0002116400000000, 0.0027010500000000, 0.0002524900000000 ] - [ 0.0007399800000000, -0.0004653500000000, 0.0005086500000000 ] - [ -0.0006412000000000, -0.0002635600000000, -0.0004234500000000 ] - [ -0.0001235500000000, -0.0010066500000000, -0.0000665100000000 ] - [ -0.0008049200000000, -0.0002007800000000, 0.0000030100000000 ] - [ 0.0007050600000000, -0.0004065000000000, -0.0000860600000000 ] - [ 0.0000582800000000, 0.0021663200000000, -0.0000541000000000 ] - [ -0.0000596200000000, 0.0029653700000000, 0.0000541900000000 ] - [ 0.0001268900000000, -0.0014347700000000, -0.0000539000000000 ] - [ -0.0002384300000000, -0.0012490700000000, 0.0000197200000000 ] - [ 0.0002327100000000, -0.0011936100000000, 0.0000999200000000 ] - [ 0.0008076400000000, -0.0017357500000000, 0.0008050900000000 ] - [ -0.0007025800000000, -0.0015361200000000, -0.0007094200000000 ] - [ 0.0001622500000000, 0.0030231800000000, -0.0013175400000000 ] - [ -0.0008687000000000, -0.0010180600000000, -0.0001444700000000 ] - [ 0.0007742600000000, -0.0012163100000000, 0.0000568500000000 ] - [ 0.0000621400000000, -0.0010711700000000, -0.0000642900000000 ] - [ -0.0000617600000000, -0.0010716000000000, 0.0000635900000000 ] - [ 0.0007729800000000, 0.0028589800000000, 0.0003428800000000 ] - [ -0.0009287400000000, 0.0030055800000000, -0.0003635100000000 ] - [ -0.0000880400000000, 0.0029563800000000, 0.0012393600000000 ] - [ -0.0000095400000000, 0.0019655900000000, -0.0000250200000000 ] - [ -0.0007065700000000, 0.0016304100000000, -0.0010254100000000 ] - [ -0.0008754000000000, 0.0007660000000000, -0.0001345600000000 ] - [ -0.0043155100000000, 0.0031786600000000, 0.0038710500000000 ] - [ 0.0013984000000000, 0.0004422600000000, 0.0008728800000000 ] - [ 0.0006290700000000, 0.0004650000000000, -0.0000274000000000 ] - [ -0.0013485900000000, 0.0004911700000000, -0.0006173600000000 ] - [ -0.0012315200000000, 0.0016543700000000, 0.0004375600000000 ] - [ 0.0002243600000000, -0.0039866000000000, 0.0023116700000000 ] - [ 0.0009811300000000, 0.0016788900000000, -0.0005266500000000 ] - [ 0.0005001600000000, 0.0015798500000000, 0.0007866800000000 ] - [ 0.0000129600000000, -0.0042765100000000, -0.0021493800000000 ] - [ -0.0020898300000000, -0.0012857800000000, 0.0003728700000000 ] - [ -0.0065910900000000, 0.0124060400000000, 0.0022212200000000 ] - [ -0.0000206900000000, 0.0120089700000000, 0.0000664600000000 ] - [ 0.0045816800000000, 0.0031758400000000, -0.0038072300000000 ] - [ 0.0020188800000000, -0.0012386600000000, -0.0006243000000000 ] - [ 0.0074289700000000, 0.0131626000000000, -0.0016449000000000 ] - [ -0.0000086000000000, -0.0017896900000000, -0.0000311600000000 ] - [ 0.0001746300000000, -0.0014419000000000, 0.0003701100000000 ] - [ 0.0001105600000000, -0.0026039500000000, -0.0001085800000000 ] - [ 0.0007103100000000, -0.0011071400000000, -0.0002006100000000 ] - [ 0.0010689400000000, -0.0030315700000000, 0.0003719400000000 ] - [ -0.0003558800000000, -0.0029105400000000, -0.0000519800000000 ] - [ -0.0010335100000000, -0.0029934600000000, -0.0001196000000000 ] - [ 0.0003786800000000, -0.0015396900000000, -0.0002957200000000 ] - [ 0.0001804300000000, -0.0015180800000000, 0.0000444900000000 ] - [ -0.0006284500000000, -0.0015143700000000, 0.0002050800000000 ] - [ -0.0003740200000000, -0.0014823200000000, -0.0006028900000000 ] - [ 0.0000643200000000, -0.0018273700000000, 0.0001175700000000 ] - [ 0.0000141100000000, -0.0012373700000000, -0.0002291700000000 ] - [ 0.0004235800000000, -0.0011540700000000, 0.0005725900000000 ] - [ 0.0000082400000000, -0.0015323900000000, 0.0000306400000000 ] - [ -0.0004578700000000, -0.0011335000000000, 0.0002885900000000 ] - [ -0.0000627400000000, -0.0011816100000000, -0.0000266300000000 ] - [ -0.0002242500000000, -0.0011144200000000, -0.0003391700000000 ]- atom: 19 displacement: [ -0.0028145825136884, 0.0000000000000000, 0.0095957347438140 ] forces: - [ -0.0000311000000000, 0.0001858700000000, -0.0001233600000000 ] - [ -0.0000311000000000, -0.0001858700000000, -0.0001233600000000 ] - [ -0.0000006500000000, -0.0000212200000000, 0.0000014000000000 ] - [ -0.0000006500000000, 0.0000212200000000, 0.0000014000000000 ] - [ 0.0004346700000000, -0.0003312800000000, 0.0000346400000000 ] - [ 0.0014664700000000, -0.0045529800000000, 0.0075026700000000 ] - [ 0.0014664700000000, 0.0045529800000000, 0.0075026700000000 ] - [ 0.0004346700000000, 0.0003312800000000, 0.0000346400000000 ] - [ 0.0002617600000000, -0.0002505800000000, 0.0001163000000000 ] - [ -0.0001986200000000, -0.0001334700000000, -0.0000444000000000 ] - [ -0.0001986200000000, 0.0001334700000000, -0.0000444000000000 ] - [ 0.0002617600000000, 0.0002505800000000, 0.0001163000000000 ] - [ -0.0058714800000000, 0.0097219400000000, -0.0025169500000000 ] - [ -0.0005236400000000, 0.0000000000000000, 0.0016914600000000 ] - [ -0.0001718400000000, -0.0000083400000000, 0.0000098500000000 ] - [ -0.0000589300000000, 0.0000113900000000, -0.0000614200000000 ] - [ -0.0006637100000000, 0.0001926000000000, -0.0001555500000000 ] - [ -0.0033071800000000, 0.0000000000000000, 0.0261553000000000 ] - [ 0.0465983700000000, 0.0000000000000000, -0.0645041000000000 ] - [ -0.0006637100000000, -0.0001926000000000, -0.0001555500000000 ] - [ -0.0058714800000000, -0.0097219400000000, -0.0025169500000000 ] - [ -0.0000589300000000, -0.0000113900000000, -0.0000614200000000 ] - [ -0.0005471100000000, 0.0000000000000000, -0.0026240600000000 ] - [ 0.0002145100000000, 0.0002876700000000, -0.0000350000000000 ] - [ 0.0002145100000000, -0.0002876700000000, -0.0000350000000000 ] - [ -0.0000669700000000, 0.0004872900000000, -0.0000549700000000 ] - [ -0.0000669700000000, -0.0004872900000000, -0.0000549700000000 ] - [ -0.0001718400000000, 0.0000083400000000, 0.0000098500000000 ] - [ 0.0000733100000000, -0.0000563200000000, -0.0000235900000000 ] - [ 0.0000632000000000, 0.0000000000000000, -0.0000459400000000 ] - [ -0.0010285000000000, -0.0005421000000000, 0.0016110600000000 ] - [ -0.0003107000000000, 0.0009817400000000, -0.0023004900000000 ] - [ -0.0000460800000000, 0.0000355500000000, -0.0000251700000000 ] - [ -0.0000778000000000, 0.0000000000000000, 0.0000356200000000 ] - [ -0.0000469000000000, 0.0000000000000000, 0.0000868400000000 ] - [ -0.0000460800000000, -0.0000355500000000, -0.0000251700000000 ] - [ 0.0000733100000000, 0.0000563200000000, -0.0000235900000000 ] - [ -0.0003107000000000, -0.0009817400000000, -0.0023004900000000 ] - [ 0.0000152900000000, 0.0000000000000000, -0.0001078500000000 ] - [ -0.0003954000000000, -0.0004568900000000, 0.0007493100000000 ] - [ -0.0003954000000000, 0.0004568900000000, 0.0007493100000000 ] - [ 0.0001234600000000, 0.0003063200000000, -0.0006212500000000 ] - [ 0.0001234600000000, -0.0003063200000000, -0.0006212500000000 ] - [ -0.0010285000000000, 0.0005421000000000, 0.0016110600000000 ] - [ 0.0002813800000000, -0.0002323700000000, -0.0001567400000000 ] - [ 0.0002813800000000, 0.0002323700000000, -0.0001567400000000 ] - [ 0.0000799000000000, 0.0001050900000000, 0.0000229600000000 ] - [ 0.0000191600000000, 0.0005942500000000, 0.0005164100000000 ] - [ 0.0000191600000000, -0.0005942500000000, 0.0005164100000000 ] - [ 0.0000589600000000, 0.0000000000000000, 0.0004162600000000 ] - [ 0.0002013400000000, 0.0000000000000000, -0.0003459000000000 ] - [ -0.0000710200000000, -0.0001183100000000, 0.0000405400000000 ] - [ -0.0000710200000000, 0.0001183100000000, 0.0000405400000000 ] - [ 0.0000799000000000, -0.0001050900000000, 0.0000229600000000 ] - [ 0.0000587100000000, -0.0001279500000000, 0.0002322000000000 ] - [ 0.0000587100000000, 0.0001279500000000, 0.0002322000000000 ] - [ 0.0005128300000000, 0.0035585600000000, 0.0043078200000000 ] - [ -0.0000004100000000, 0.0001644300000000, -0.0000818500000000 ] - [ -0.0000004100000000, -0.0001644300000000, -0.0000818500000000 ] - [ 0.0000532200000000, 0.0000000000000000, -0.0000446800000000 ] - [ -0.0000634900000000, 0.0000000000000000, 0.0000434700000000 ] - [ 0.0009670600000000, -0.0001353100000000, -0.0005469400000000 ] - [ 0.0009670600000000, 0.0001353100000000, -0.0005469400000000 ] - [ 0.0005128300000000, -0.0035585600000000, 0.0043078200000000 ] - [ 0.0002982300000000, 0.0000000000000000, -0.0000546400000000 ] - [ 0.0000697900000000, -0.0003451500000000, -0.0000497300000000 ] - [ 0.0001381200000000, 0.0001741400000000, -0.0000699000000000 ] - [ 0.0024768900000000, -0.0009374100000000, -0.0033741800000000 ] - [ 0.0000861200000000, -0.0003152100000000, 0.0001257200000000 ] - [ 0.0001381200000000, -0.0001741400000000, -0.0000699000000000 ] - [ 0.0000861200000000, 0.0003152100000000, 0.0001257200000000 ] - [ -0.0001804400000000, -0.0001352400000000, -0.0000136500000000 ] - [ 0.0010882400000000, 0.0013781300000000, -0.0006784100000000 ] - [ -0.0001804400000000, 0.0001352400000000, -0.0000136500000000 ] - [ 0.0000697900000000, 0.0003451500000000, -0.0000497300000000 ] - [ 0.0010882400000000, -0.0013781300000000, -0.0006784100000000 ] - [ -0.0009159500000000, 0.0012698700000000, -0.0001235500000000 ] - [ -0.0032875700000000, 0.0030607400000000, 0.0021810700000000 ] - [ -0.0329465600000000, 0.0000000000000000, 0.0265155500000000 ] - [ 0.0024768900000000, 0.0009374100000000, -0.0033741800000000 ] - [ -0.0009159500000000, -0.0012698700000000, -0.0001235500000000 ] - [ -0.0032875700000000, -0.0030607400000000, 0.0021810700000000 ] - [ -0.0000272100000000, 0.0000000000000000, -0.0000278000000000 ] - [ -0.0001595400000000, -0.0000137900000000, -0.0001388200000000 ] - [ -0.0000861700000000, 0.0002294400000000, -0.0001290000000000 ] - [ 0.0001843200000000, 0.0000089800000000, 0.0000244700000000 ] - [ -0.0001325200000000, 0.0000078000000000, 0.0001378200000000 ] - [ -0.0000861700000000, -0.0002294400000000, -0.0001290000000000 ] - [ -0.0001325200000000, -0.0000078000000000, 0.0001378200000000 ] - [ -0.0001159700000000, -0.0000209400000000, -0.0000656500000000 ] - [ 0.0002186800000000, -0.0000400600000000, 0.0001429700000000 ] - [ -0.0001159700000000, 0.0000209400000000, -0.0000656500000000 ] - [ -0.0001595400000000, 0.0000137900000000, -0.0001388200000000 ] - [ 0.0002186800000000, 0.0000400600000000, 0.0001429700000000 ] - [ 0.0000526400000000, -0.0000096100000000, -0.0001334000000000 ] - [ 0.0001010600000000, -0.0000530300000000, 0.0001490900000000 ] - [ 0.0000202500000000, 0.0000000000000000, 0.0000458600000000 ] - [ 0.0001843200000000, -0.0000089800000000, 0.0000244700000000 ] - [ 0.0000526400000000, 0.0000096100000000, -0.0001334000000000 ] - [ 0.0001010600000000, 0.0000530300000000, 0.0001490900000000 ]- atom: 19 displacement: [ 0.0028145825136884, 0.0000000000000000, -0.0095957347438140 ] forces: - [ 0.0000299200000000, -0.0002317500000000, 0.0001259900000000 ] - [ 0.0000299200000000, 0.0002317500000000, 0.0001259900000000 ] - [ -0.0000002000000000, -0.0000187900000000, -0.0000016700000000 ] - [ -0.0000002000000000, 0.0000187900000000, -0.0000016700000000 ] - [ -0.0000391200000000, -0.0000804100000000, 0.0001217100000000 ] - [ -0.0018177300000000, 0.0041247900000000, -0.0077763000000000 ] - [ -0.0018177300000000, -0.0041247900000000, -0.0077763000000000 ] - [ -0.0000391200000000, 0.0000804100000000, 0.0001217100000000 ] - [ 0.0001378000000000, -0.0001670000000000, 0.0000360800000000 ] - [ -0.0001983300000000, -0.0002842300000000, -0.0001084300000000 ] - [ -0.0001983300000000, 0.0002842300000000, -0.0001084300000000 ] - [ 0.0001378000000000, 0.0001670000000000, 0.0000360800000000 ] - [ 0.0060638400000000, -0.0099051700000000, 0.0025820800000000 ] - [ 0.0006063300000000, 0.0000000000000000, -0.0017939800000000 ] - [ 0.0001953200000000, 0.0000282300000000, 0.0000844100000000 ] - [ 0.0001523600000000, 0.0000412400000000, 0.0000420300000000 ] - [ 0.0005072400000000, -0.0000702100000000, 0.0001391300000000 ] - [ 0.0032938900000000, 0.0000000000000000, -0.0261400000000000 ] - [ -0.0486354500000000, 0.0000000000000000, 0.0664927300000000 ] - [ 0.0005072400000000, 0.0000702100000000, 0.0001391300000000 ] - [ 0.0060638400000000, 0.0099051700000000, 0.0025820800000000 ] - [ 0.0001523600000000, -0.0000412400000000, 0.0000420300000000 ] - [ 0.0006087200000000, 0.0000000000000000, 0.0024188700000000 ] - [ -0.0002418500000000, -0.0003154700000000, -0.0000600200000000 ] - [ -0.0002418500000000, 0.0003154700000000, -0.0000600200000000 ] - [ -0.0000287400000000, -0.0004364800000000, 0.0000744300000000 ] - [ -0.0000287400000000, 0.0004364800000000, 0.0000744300000000 ] - [ 0.0001953200000000, -0.0000282300000000, 0.0000844100000000 ] - [ 0.0000804400000000, -0.0000646900000000, 0.0000382700000000 ] - [ 0.0000395100000000, 0.0000000000000000, -0.0000472100000000 ] - [ 0.0010589100000000, 0.0005800200000000, -0.0015210800000000 ] - [ 0.0004155700000000, -0.0009577000000000, 0.0023003000000000 ] - [ -0.0001079000000000, 0.0000882200000000, 0.0000099300000000 ] - [ -0.0000247200000000, 0.0000000000000000, 0.0000577500000000 ] - [ 0.0000138200000000, 0.0000000000000000, 0.0001189800000000 ] - [ -0.0001079000000000, -0.0000882200000000, 0.0000099300000000 ] - [ 0.0000804400000000, 0.0000646900000000, 0.0000382700000000 ] - [ 0.0004155700000000, 0.0009577000000000, 0.0023003000000000 ] - [ 0.0000179400000000, 0.0000000000000000, -0.0000986400000000 ] - [ 0.0003708100000000, 0.0004331500000000, -0.0008433900000000 ] - [ 0.0003708100000000, -0.0004331500000000, -0.0008433900000000 ] - [ -0.0002237200000000, -0.0002471300000000, 0.0006395000000000 ] - [ -0.0002237200000000, 0.0002471300000000, 0.0006395000000000 ] - [ 0.0010589100000000, -0.0005800200000000, -0.0015210800000000 ] - [ -0.0001791400000000, 0.0000302400000000, 0.0002440900000000 ] - [ -0.0001791400000000, -0.0000302400000000, 0.0002440900000000 ] - [ 0.0000318300000000, 0.0000848900000000, 0.0000120300000000 ] - [ -0.0001197800000000, -0.0003947700000000, -0.0006040600000000 ] - [ -0.0001197800000000, 0.0003947700000000, -0.0006040600000000 ] - [ 0.0000597100000000, 0.0000000000000000, -0.0005195800000000 ] - [ -0.0003175900000000, 0.0000000000000000, 0.0004518200000000 ] - [ -0.0000389900000000, -0.0000718100000000, -0.0000761000000000 ] - [ -0.0000389900000000, 0.0000718100000000, -0.0000761000000000 ] - [ 0.0000318300000000, -0.0000848900000000, 0.0000120300000000 ] - [ 0.0000424800000000, -0.0000724700000000, -0.0001513700000000 ] - [ 0.0000424800000000, 0.0000724700000000, -0.0001513700000000 ] - [ -0.0004420100000000, -0.0034891000000000, -0.0044191700000000 ] - [ -0.0001047000000000, 0.0000383900000000, -0.0000025600000000 ] - [ -0.0001047000000000, -0.0000383900000000, -0.0000025600000000 ] - [ 0.0000618300000000, 0.0000000000000000, -0.0000537900000000 ] - [ -0.0000529100000000, 0.0000000000000000, 0.0000543800000000 ] - [ -0.0010891400000000, -0.0000528000000000, 0.0005234200000000 ] - [ -0.0010891400000000, 0.0000528000000000, 0.0005234200000000 ] - [ -0.0004420100000000, 0.0034891000000000, -0.0044191700000000 ] - [ -0.0003061500000000, 0.0000000000000000, 0.0000060500000000 ] - [ -0.0002733900000000, 0.0003942600000000, -0.0001770000000000 ] - [ -0.0003892500000000, 0.0001236200000000, -0.0000950800000000 ] - [ -0.0022856700000000, 0.0009966900000000, 0.0034833900000000 ] - [ -0.0000348200000000, 0.0002634100000000, 0.0001299700000000 ] - [ -0.0003892500000000, -0.0001236200000000, -0.0000950800000000 ] - [ -0.0000348200000000, -0.0002634100000000, 0.0001299700000000 ] - [ -0.0000617400000000, 0.0001089200000000, -0.0000867100000000 ] - [ -0.0008494700000000, -0.0011089100000000, 0.0008649500000000 ] - [ -0.0000617400000000, -0.0001089200000000, -0.0000867100000000 ] - [ -0.0002733900000000, -0.0003942600000000, -0.0001770000000000 ] - [ -0.0008494700000000, 0.0011089100000000, 0.0008649500000000 ] - [ 0.0008726500000000, -0.0013284400000000, -0.0001425600000000 ] - [ 0.0035050600000000, -0.0031128500000000, -0.0019062400000000 ] - [ 0.0348742000000000, 0.0000000000000000, -0.0279149600000000 ] - [ -0.0022856700000000, -0.0009966900000000, 0.0034833900000000 ] - [ 0.0008726500000000, 0.0013284400000000, -0.0001425600000000 ] - [ 0.0035050600000000, 0.0031128500000000, -0.0019062400000000 ] - [ 0.0000177400000000, 0.0000000000000000, -0.0000315400000000 ] - [ -0.0000428400000000, 0.0000578100000000, -0.0000862100000000 ] - [ -0.0001706100000000, 0.0000688000000000, -0.0000352200000000 ] - [ 0.0000664000000000, 0.0000117900000000, 0.0000734300000000 ] - [ 0.0001828500000000, -0.0000601300000000, 0.0001187800000000 ] - [ -0.0001706100000000, -0.0000688000000000, -0.0000352200000000 ] - [ 0.0001828500000000, 0.0000601300000000, 0.0001187800000000 ] - [ -0.0001348300000000, -0.0000002400000000, -0.0000328700000000 ] - [ 0.0000345900000000, 0.0003389600000000, 0.0000218900000000 ] - [ -0.0001348300000000, 0.0000002400000000, -0.0000328700000000 ] - [ -0.0000428400000000, -0.0000578100000000, -0.0000862100000000 ] - [ 0.0000345900000000, -0.0003389600000000, 0.0000218900000000 ] - [ -0.0000985800000000, -0.0000373800000000, -0.0001240900000000 ] - [ 0.0001015700000000, 0.0000085000000000, 0.0000776600000000 ] - [ -0.0000110000000000, 0.0000000000000000, 0.0000124100000000 ] - [ 0.0000664000000000, -0.0000117900000000, 0.0000734300000000 ] - [ -0.0000985800000000, 0.0000373800000000, -0.0001240900000000 ] - [ 0.0001015700000000, -0.0000085000000000, 0.0000776600000000 ]- atom: 45 displacement: [ 0.0099999418370919, 0.0000000000000000, 0.0000341065210551 ] forces: - [ -0.0003578600000000, 0.0003110100000000, -0.0002781400000000 ] - [ -0.0000250800000000, 0.0000465300000000, -0.0000034900000000 ] - [ 0.0000229700000000, 0.0000178800000000, -0.0000202200000000 ] - [ -0.0000251200000000, 0.0000354600000000, -0.0000195900000000 ] - [ 0.0006193900000000, -0.0020162500000000, 0.0007217200000000 ] - [ 0.0003432600000000, 0.0013033400000000, -0.0002835200000000 ] - [ -0.0000331000000000, 0.0004324700000000, -0.0000273300000000 ] - [ 0.0004352300000000, 0.0000491900000000, 0.0001293900000000 ] - [ 0.0000332900000000, -0.0002932000000000, 0.0000262800000000 ] - [ -0.0003277400000000, -0.0000236900000000, -0.0000915500000000 ] - [ -0.0018164000000000, 0.0017857900000000, -0.0002411700000000 ] - [ -0.0012837300000000, -0.0002694000000000, -0.0008194600000000 ] - [ -0.0012468700000000, 0.0025906400000000, 0.0006038600000000 ] - [ -0.0006881200000000, -0.0008664200000000, -0.0002509800000000 ] - [ -0.0000285300000000, 0.0003865400000000, 0.0000441400000000 ] - [ 0.0011156800000000, -0.0006892300000000, 0.0004226700000000 ] - [ 0.0002243400000000, -0.0002817600000000, 0.0001051100000000 ] - [ -0.0008109700000000, 0.0005358000000000, -0.0004787200000000 ] - [ -0.0009165700000000, 0.0006910100000000, 0.0000787700000000 ] - [ 0.0007260500000000, -0.0016220100000000, -0.0002526900000000 ] - [ 0.0004139100000000, 0.0006614400000000, 0.0001481200000000 ] - [ 0.0001346800000000, 0.0000449800000000, 0.0000056000000000 ] - [ -0.0007975600000000, -0.0007560700000000, -0.0002713400000000 ] - [ 0.0000537700000000, 0.0000037500000000, -0.0000176200000000 ] - [ 0.0003622000000000, -0.0008591700000000, -0.0004067000000000 ] - [ -0.0011693800000000, 0.0008042800000000, 0.0012073500000000 ] - [ 0.0000138200000000, -0.0000092200000000, 0.0000215700000000 ] - [ 0.0000968900000000, 0.0000714800000000, 0.0000848300000000 ] - [ -0.0000641600000000, 0.0002586700000000, -0.0000427900000000 ] - [ 0.0004686200000000, -0.0006377800000000, 0.0000668900000000 ] - [ -0.0000835600000000, 0.0001264000000000, -0.0000152500000000 ] - [ -0.0000489800000000, 0.0001450900000000, -0.0000118100000000 ] - [ -0.0012968200000000, -0.0017418400000000, -0.0003519700000000 ] - [ 0.0007162900000000, 0.0008867100000000, 0.0001907600000000 ] - [ 0.0006642000000000, 0.0007553300000000, 0.0003137100000000 ] - [ -0.0002637700000000, -0.0002255200000000, -0.0000589300000000 ] - [ -0.0008764700000000, 0.0014937600000000, -0.0003813900000000 ] - [ -0.0022282600000000, 0.0008101800000000, -0.0007059200000000 ] - [ 0.0005525200000000, -0.0008178600000000, 0.0001078000000000 ] - [ -0.0023620300000000, -0.0006987900000000, -0.0003642500000000 ] - [ -0.0000861900000000, -0.0000354900000000, -0.0000972200000000 ] - [ -0.0001264200000000, -0.0000100400000000, 0.0000093900000000 ] - [ -0.0028519900000000, -0.0003535100000000, -0.0009386100000000 ] - [ -0.0022589500000000, 0.0001701800000000, -0.0008506100000000 ] - [ -0.0167351100000000, -0.0002339300000000, 0.0009842500000000 ] - [ -0.0000351900000000, 0.0000735600000000, 0.0000107700000000 ] - [ -0.0001542800000000, -0.0000349000000000, -0.0000346900000000 ] - [ -0.0001283600000000, 0.0000531200000000, -0.0000803300000000 ] - [ -0.0006972400000000, 0.0002201700000000, -0.0026736200000000 ] - [ -0.0005233100000000, 0.0000411900000000, -0.0004165000000000 ] - [ -0.0003641700000000, -0.0000718900000000, -0.0000801100000000 ] - [ -0.0015779700000000, 0.0006928600000000, -0.0007522400000000 ] - [ -0.0002522200000000, 0.0001796300000000, -0.0000853700000000 ] - [ -0.0007279000000000, -0.0003130300000000, -0.0001341000000000 ] - [ 0.0001207700000000, -0.0001322700000000, 0.0000689200000000 ] - [ 0.0012141900000000, 0.0001867400000000, 0.0005949400000000 ] - [ 0.0007264400000000, -0.0000250800000000, 0.0003116600000000 ] - [ 0.0012471500000000, 0.0000012200000000, 0.0001635400000000 ] - [ 0.0000148500000000, -0.0001291100000000, -0.0000181800000000 ] - [ 0.0003835200000000, -0.0000912400000000, 0.0000705300000000 ] - [ 0.0002627300000000, -0.0000398600000000, 0.0001771900000000 ] - [ 0.0002800600000000, 0.0000835200000000, 0.0000966000000000 ] - [ 0.0006631400000000, 0.0003651900000000, 0.0000893700000000 ] - [ 0.0003927000000000, -0.0002838000000000, 0.0001170300000000 ] - [ 0.0007735500000000, 0.0009686600000000, -0.0000729200000000 ] - [ -0.0002298400000000, 0.0002120700000000, -0.0002560000000000 ] - [ 0.0042924400000000, 0.0013309600000000, -0.0024732300000000 ] - [ 0.0007274200000000, -0.0005625700000000, -0.0000552800000000 ] - [ 0.0000660900000000, -0.0000026400000000, 0.0001405300000000 ] - [ -0.0001734700000000, -0.0001089000000000, -0.0000910600000000 ] - [ 0.0017021900000000, 0.0006583500000000, 0.0024898900000000 ] - [ -0.0003121700000000, 0.0001992200000000, -0.0000097500000000 ] - [ 0.0013071400000000, -0.0006335700000000, 0.0018950500000000 ] - [ 0.0016556900000000, 0.0009915400000000, -0.0003059900000000 ] - [ 0.0006779400000000, 0.0012345400000000, 0.0005367400000000 ] - [ 0.0001245300000000, -0.0002990400000000, 0.0000823800000000 ] - [ 0.0000557100000000, -0.0001534700000000, -0.0001014000000000 ] - [ 0.0012596300000000, -0.0005695400000000, 0.0000988000000000 ] - [ 0.0011918200000000, -0.0017603800000000, 0.0006500100000000 ] - [ -0.0000221200000000, -0.0002384700000000, 0.0001320600000000 ] - [ 0.0020705700000000, -0.0006096200000000, -0.0001954700000000 ] - [ 0.0000201700000000, -0.0001866400000000, -0.0000408100000000 ] - [ -0.0002204900000000, 0.0003575400000000, -0.0001275800000000 ] - [ 0.0009142400000000, 0.0019817000000000, 0.0011025100000000 ] - [ -0.0000941400000000, 0.0001515800000000, -0.0000712600000000 ] - [ 0.0002082300000000, -0.0001760700000000, 0.0000195000000000 ] - [ 0.0053440900000000, -0.0002439400000000, -0.0015552300000000 ] - [ 0.0005021900000000, -0.0000254400000000, 0.0004994500000000 ] - [ 0.0000050600000000, 0.0000006500000000, 0.0001202600000000 ] - [ 0.0005326400000000, 0.0011361900000000, -0.0002237300000000 ] - [ 0.0001262400000000, 0.0000552200000000, 0.0000763900000000 ] - [ 0.0000044000000000, 0.0001545300000000, -0.0000608800000000 ] - [ -0.0000000200000000, 0.0001217600000000, -0.0000360000000000 ] - [ 0.0040165700000000, -0.0001844600000000, 0.0010067300000000 ] - [ 0.0026340900000000, -0.0022171800000000, 0.0009712300000000 ] - [ 0.0001507700000000, -0.0001733100000000, 0.0001748400000000 ] - [ -0.0003359300000000, -0.0004747900000000, -0.0000611600000000 ] - [ 0.0011773700000000, -0.0019851800000000, 0.0004312700000000 ] - [ -0.0000812800000000, -0.0000452500000000, -0.0001401100000000 ] - [ 0.0008964200000000, -0.0016567800000000, 0.0000338900000000 ]- atom: 45 displacement: [ -0.0099999418370919, 0.0000000000000000, -0.0000341065210551 ] forces: - [ 0.0003643100000000, -0.0003492400000000, 0.0002507000000000 ] - [ 0.0000209300000000, -0.0000031900000000, 0.0000194000000000 ] - [ -0.0000188600000000, -0.0000599100000000, 0.0000039800000000 ] - [ 0.0000217200000000, 0.0000031200000000, 0.0000358800000000 ] - [ -0.0002012400000000, 0.0016147100000000, -0.0005650400000000 ] - [ -0.0007631100000000, -0.0017182000000000, 0.0001370500000000 ] - [ -0.0003744400000000, -0.0000203700000000, -0.0001316900000000 ] - [ -0.0000289100000000, 0.0003656000000000, 0.0000206000000000 ] - [ 0.0003737300000000, -0.0001185500000000, 0.0001338700000000 ] - [ -0.0000789500000000, -0.0003894500000000, -0.0000576600000000 ] - [ 0.0014170000000000, -0.0013844000000000, 0.0000914500000000 ] - [ 0.0016926800000000, 0.0006781700000000, 0.0009808100000000 ] - [ 0.0013880300000000, -0.0027122000000000, -0.0005881700000000 ] - [ 0.0007911900000000, 0.0008658800000000, 0.0001620400000000 ] - [ 0.0001250800000000, -0.0004530600000000, -0.0000059500000000 ] - [ -0.0009766800000000, 0.0006932900000000, -0.0003775300000000 ] - [ -0.0003744700000000, 0.0004077000000000, -0.0001173300000000 ] - [ 0.0007146000000000, -0.0005390600000000, 0.0005757400000000 ] - [ 0.0008901800000000, -0.0006947700000000, 0.0001298700000000 ] - [ -0.0008495800000000, 0.0015329600000000, 0.0002631800000000 ] - [ -0.0002685500000000, -0.0005428500000000, -0.0001362500000000 ] - [ -0.0000345800000000, -0.0000974000000000, -0.0000257600000000 ] - [ 0.0008327700000000, 0.0007541500000000, 0.0000584900000000 ] - [ -0.0000769900000000, -0.0000187500000000, -0.0000795800000000 ] - [ -0.0004091800000000, 0.0008606100000000, 0.0002823400000000 ] - [ 0.0010056000000000, -0.0008321900000000, -0.0011644700000000 ] - [ -0.0001150900000000, -0.0000437500000000, -0.0000010700000000 ] - [ -0.0000748300000000, -0.0000869200000000, 0.0000112500000000 ] - [ 0.0002142500000000, -0.0003781300000000, 0.0000562000000000 ] - [ -0.0003702500000000, 0.0006399700000000, -0.0001631500000000 ] - [ 0.0001069000000000, -0.0001113500000000, 0.0001123200000000 ] - [ 0.0001501800000000, -0.0000915300000000, -0.0000082900000000 ] - [ 0.0011529700000000, 0.0018719600000000, 0.0003391700000000 ] - [ -0.0008159100000000, -0.0008884500000000, -0.0000990200000000 ] - [ -0.0006960000000000, -0.0007617200000000, -0.0001045000000000 ] - [ 0.0001156800000000, 0.0001072800000000, 0.0000463000000000 ] - [ 0.0010326200000000, -0.0013697300000000, 0.0003925300000000 ] - [ 0.0023386800000000, -0.0008694400000000, 0.0006868400000000 ] - [ -0.0005276700000000, 0.0008251500000000, -0.0003171700000000 ] - [ 0.0023385900000000, 0.0006890500000000, 0.0002777800000000 ] - [ 0.0000643900000000, 0.0000515800000000, 0.0000020400000000 ] - [ 0.0000268600000000, 0.0000638200000000, 0.0000103500000000 ] - [ 0.0027576600000000, 0.0002993800000000, 0.0009556400000000 ] - [ 0.0022897500000000, -0.0001869100000000, 0.0009534500000000 ] - [ 0.0167304300000000, 0.0002016700000000, -0.0009246900000000 ] - [ 0.0001372900000000, 0.0001271100000000, 0.0000727600000000 ] - [ 0.0002635200000000, 0.0002263600000000, 0.0000700400000000 ] - [ 0.0000270100000000, 0.0001473900000000, -0.0000026000000000 ] - [ 0.0006089600000000, -0.0004149400000000, 0.0026072000000000 ] - [ 0.0006384300000000, -0.0000415400000000, 0.0003335700000000 ] - [ 0.0002533100000000, 0.0000704300000000, 0.0001668600000000 ] - [ 0.0014753900000000, -0.0008929100000000, 0.0007257300000000 ] - [ 0.0001446000000000, 0.0000102800000000, 0.0000508100000000 ] - [ 0.0008366600000000, 0.0001332000000000, 0.0001696200000000 ] - [ -0.0000198000000000, -0.0000699500000000, 0.0000149100000000 ] - [ -0.0011175200000000, 0.0000134600000000, -0.0005124400000000 ] - [ -0.0006210500000000, 0.0002193900000000, -0.0002791600000000 ] - [ -0.0013525600000000, 0.0001975700000000, -0.0002491900000000 ] - [ -0.0001162700000000, -0.0000726900000000, -0.0000660000000000 ] - [ -0.0002699500000000, 0.0000907800000000, -0.0001647800000000 ] - [ -0.0003774400000000, 0.0000403700000000, -0.0000829800000000 ] - [ -0.0003900700000000, -0.0002749700000000, -0.0001310300000000 ] - [ -0.0007737500000000, -0.0001711600000000, -0.0001247100000000 ] - [ -0.0002864800000000, 0.0000936500000000, -0.0000823100000000 ] - [ -0.0007988000000000, -0.0009875600000000, 0.0000116600000000 ] - [ 0.0000250300000000, -0.0001716800000000, 0.0000281400000000 ] - [ -0.0044532900000000, -0.0010165600000000, 0.0022549600000000 ] - [ -0.0004699700000000, 0.0005918700000000, 0.0001472000000000 ] - [ -0.0000186400000000, -0.0000516600000000, 0.0001154800000000 ] - [ -0.0000834000000000, -0.0001978000000000, -0.0000727400000000 ] - [ -0.0016544200000000, -0.0006064300000000, -0.0022094400000000 ] - [ 0.0000581700000000, -0.0002239900000000, -0.0000862700000000 ] - [ -0.0010571400000000, 0.0009450200000000, -0.0017577800000000 ] - [ -0.0019099600000000, -0.0009622100000000, 0.0001949700000000 ] - [ -0.0008745900000000, -0.0012617300000000, -0.0007674300000000 ] - [ 0.0001327000000000, -0.0000070000000000, 0.0000828400000000 ] - [ -0.0001045400000000, 0.0001010700000000, -0.0001544300000000 ] - [ -0.0010570800000000, 0.0005304400000000, 0.0001418300000000 ] - [ -0.0011909400000000, 0.0017729500000000, -0.0005968300000000 ] - [ 0.0002785600000000, 0.0002160400000000, -0.0000365700000000 ] - [ -0.0021494400000000, 0.0006637100000000, -0.0000516200000000 ] - [ 0.0001855900000000, 0.0002291100000000, 0.0002721500000000 ] - [ 0.0002124700000000, -0.0003607900000000, 0.0000696200000000 ] - [ -0.0011290800000000, -0.0019564200000000, -0.0013471000000000 ] - [ -0.0001615500000000, 0.0001528300000000, -0.0000937100000000 ] - [ 0.0000445300000000, 0.0002007400000000, 0.0000762500000000 ] - [ -0.0053402600000000, 0.0001989800000000, 0.0018515600000000 ] - [ -0.0007516200000000, -0.0002812800000000, -0.0006668400000000 ] - [ 0.0000443600000000, 0.0000507100000000, 0.0001361300000000 ] - [ -0.0007835500000000, -0.0011589500000000, 0.0001285900000000 ] - [ 0.0001296200000000, 0.0002490600000000, 0.0000872300000000 ] - [ -0.0002584100000000, -0.0001313000000000, -0.0000354300000000 ] - [ -0.0002044500000000, -0.0001638900000000, -0.0001938100000000 ] - [ -0.0037699700000000, -0.0001162700000000, -0.0008668300000000 ] - [ -0.0026614200000000, 0.0021342800000000, -0.0012123900000000 ] - [ 0.0000526200000000, 0.0001338200000000, 0.0000527400000000 ] - [ 0.0003427200000000, 0.0004748400000000, 0.0001212600000000 ] - [ -0.0009171800000000, 0.0019614300000000, -0.0003355900000000 ] - [ 0.0000324800000000, 0.0000970700000000, -0.0001161600000000 ] - [ -0.0007009200000000, 0.0017151800000000, 0.0001901100000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003783300000000, 0.0001043400000000, 0.0005873300000000 ] - [ 0.0000264800000000, -0.0004194100000000, -0.0001294500000000 ] - [ -0.0000024700000000, -0.0002689600000000, -0.0000087600000000 ] - [ 0.0000709400000000, -0.0002268200000000, 0.0000318000000000 ] - [ -0.0013929800000000, 0.0031593200000000, -0.0012727000000000 ] - [ 0.0017940700000000, 0.0022420000000000, -0.0004265100000000 ] - [ 0.0002048600000000, -0.0006486200000000, -0.0000008700000000 ] - [ -0.0000688800000000, -0.0007712600000000, -0.0000390600000000 ] - [ 0.0003552800000000, -0.0010730600000000, 0.0001090300000000 ] - [ -0.0002787100000000, -0.0011680500000000, -0.0000951800000000 ] - [ 0.0008582800000000, -0.0012483900000000, 0.0001705500000000 ] - [ -0.0000600500000000, 0.0010249000000000, -0.0000861000000000 ] - [ 0.0027404500000000, 0.0001734100000000, -0.0000902400000000 ] - [ -0.0007895800000000, -0.0006377800000000, -0.0005658600000000 ] - [ 0.0013408700000000, 0.0043064600000000, 0.0015429200000000 ] - [ 0.0006371600000000, 0.0067453300000000, -0.0029869000000000 ] - [ -0.0000980000000000, -0.0016630400000000, 0.0000350500000000 ] - [ 0.0003455100000000, -0.0001027500000000, 0.0004091600000000 ] - [ 0.0005617100000000, -0.0003642000000000, 0.0001373500000000 ] - [ -0.0029536300000000, 0.0002335900000000, -0.0013980000000000 ] - [ 0.0003293800000000, -0.0012915800000000, 0.0000918900000000 ] - [ 0.0000344800000000, -0.0011067100000000, -0.0000123000000000 ] - [ -0.0010757900000000, -0.0003019200000000, 0.0000921000000000 ] - [ -0.0000634300000000, -0.0010276000000000, -0.0000613100000000 ] - [ -0.0005623300000000, 0.0036897500000000, 0.0003265900000000 ] - [ 0.0008693400000000, 0.0047646400000000, -0.0005080300000000 ] - [ -0.0000441200000000, -0.0010299700000000, 0.0000181300000000 ] - [ 0.0000517000000000, -0.0011100000000000, 0.0000469300000000 ] - [ 0.0001499200000000, -0.0012891400000000, 0.0000471200000000 ] - [ -0.0002353400000000, -0.0010394700000000, -0.0001596000000000 ] - [ -0.0000170700000000, -0.0009035500000000, 0.0000626400000000 ] - [ 0.0000883800000000, -0.0008690900000000, -0.0000120100000000 ] - [ -0.0005565000000000, -0.0007766900000000, -0.0002185800000000 ] - [ -0.0000475100000000, -0.0015608800000000, 0.0000551300000000 ] - [ -0.0000245400000000, -0.0016370500000000, 0.0000725100000000 ] - [ -0.0000509000000000, -0.0011640900000000, -0.0000103700000000 ] - [ 0.0007967400000000, -0.0004142600000000, 0.0001849400000000 ] - [ 0.0000640100000000, 0.0029557500000000, -0.0000370000000000 ] - [ -0.0003125900000000, -0.0011195600000000, -0.0001352000000000 ] - [ -0.0000598900000000, 0.0037021700000000, -0.0001254400000000 ] - [ -0.0000119400000000, -0.0010087000000000, -0.0000972500000000 ] - [ -0.0001184900000000, -0.0009350300000000, 0.0000268900000000 ] - [ -0.0003827100000000, 0.0026500900000000, -0.0000956300000000 ] - [ 0.0003862400000000, 0.0017675300000000, 0.0000567500000000 ] - [ -0.0002389300000000, -0.0188624900000000, 0.0050060800000000 ] - [ 0.0000800900000000, 0.0007668600000000, 0.0000231600000000 ] - [ 0.0001133400000000, 0.0008798200000000, 0.0000634500000000 ] - [ -0.0001004900000000, 0.0007334200000000, -0.0000434000000000 ] - [ -0.0003667100000000, -0.0020080600000000, 0.0004832700000000 ] - [ 0.0000077400000000, 0.0013704500000000, -0.0005431900000000 ] - [ -0.0000914300000000, 0.0004390200000000, 0.0000686300000000 ] - [ 0.0001327100000000, 0.0009023700000000, 0.0002222000000000 ] - [ -0.0000034600000000, 0.0007697700000000, -0.0000291000000000 ] - [ -0.0001713800000000, 0.0014499800000000, -0.0000772800000000 ] - [ 0.0000223500000000, 0.0004746300000000, 0.0000371100000000 ] - [ -0.0000335100000000, -0.0007792900000000, -0.0000042400000000 ] - [ 0.0000986800000000, -0.0005949300000000, 0.0000433900000000 ] - [ -0.0001503700000000, -0.0007946600000000, 0.0000168400000000 ] - [ -0.0000252200000000, 0.0004872400000000, -0.0000406100000000 ] - [ -0.0000419100000000, 0.0004494800000000, -0.0000828200000000 ] - [ -0.0001466500000000, 0.0004481100000000, 0.0000309200000000 ] - [ 0.0001503000000000, 0.0005531600000000, 0.0000712100000000 ] - [ 0.0000062100000000, -0.0006718900000000, 0.0000384200000000 ] - [ 0.0000673400000000, 0.0004248700000000, -0.0000135900000000 ] - [ 0.0021696000000000, 0.0029169100000000, -0.0000413400000000 ] - [ 0.0000531700000000, 0.0005343900000000, -0.0003291900000000 ] - [ 0.0012673700000000, -0.0037686400000000, -0.0000462500000000 ] - [ -0.0010488600000000, -0.0005560800000000, 0.0003850600000000 ] - [ 0.0002172800000000, 0.0010393000000000, 0.0001553600000000 ] - [ 0.0000711900000000, 0.0009622200000000, -0.0000090100000000 ] - [ 0.0008520200000000, -0.0041131400000000, 0.0010498900000000 ] - [ -0.0001529800000000, 0.0005716400000000, 0.0001946800000000 ] - [ -0.0009917200000000, -0.0029600300000000, -0.0005241200000000 ] - [ 0.0031031600000000, -0.0005250800000000, 0.0012155400000000 ] - [ 0.0012583400000000, -0.0003727500000000, 0.0008390600000000 ] - [ -0.0000867900000000, 0.0008723300000000, 0.0000023200000000 ] - [ -0.0001885300000000, 0.0009558900000000, -0.0001309600000000 ] - [ -0.0021445100000000, -0.0005152800000000, -0.0005144400000000 ] - [ -0.0009425500000000, 0.0015695100000000, -0.0005597600000000 ] - [ 0.0000088500000000, 0.0003873300000000, -0.0001276900000000 ] - [ -0.0008662400000000, -0.0031891500000000, 0.0002820100000000 ] - [ -0.0000752400000000, 0.0004738400000000, 0.0002319300000000 ] - [ 0.0002714700000000, 0.0005670300000000, 0.0000239300000000 ] - [ 0.0001925500000000, 0.0007435700000000, 0.0005174500000000 ] - [ -0.0002757300000000, 0.0011766200000000, -0.0001533300000000 ] - [ -0.0002277100000000, 0.0008781300000000, 0.0001683600000000 ] - [ 0.0039553300000000, -0.0012897600000000, 0.0002451700000000 ] - [ 0.0000450800000000, -0.0015709100000000, -0.0000337900000000 ] - [ -0.0000550200000000, 0.0008668100000000, 0.0001605900000000 ] - [ 0.0003541100000000, 0.0005536900000000, -0.0003434600000000 ] - [ 0.0002711900000000, 0.0012638900000000, 0.0001546600000000 ] - [ 0.0001435100000000, 0.0007423400000000, -0.0001537700000000 ] - [ 0.0000758200000000, 0.0007266000000000, 0.0001128500000000 ] - [ -0.0047909700000000, -0.0011587600000000, -0.0023020300000000 ] - [ -0.0021961300000000, -0.0006074000000000, -0.0006369500000000 ] - [ -0.0001197700000000, 0.0008335500000000, -0.0001550400000000 ] - [ -0.0003312500000000, 0.0007326300000000, -0.0000327300000000 ] - [ -0.0005157600000000, 0.0016030100000000, -0.0004221100000000 ] - [ 0.0000603700000000, 0.0009106500000000, -0.0001600700000000 ] - [ -0.0007893700000000, 0.0019655700000000, 0.0001342600000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003783100000000, -0.0001391800000000, -0.0006027300000000 ] - [ -0.0000303100000000, 0.0004603800000000, 0.0001464200000000 ] - [ 0.0000059700000000, 0.0002293100000000, -0.0000077700000000 ] - [ -0.0000751100000000, 0.0002629900000000, -0.0000155200000000 ] - [ 0.0018293000000000, -0.0035073800000000, 0.0014005500000000 ] - [ -0.0022069600000000, -0.0026074800000000, 0.0002474000000000 ] - [ -0.0006083200000000, 0.0010595300000000, -0.0001588300000000 ] - [ 0.0004738800000000, 0.0011811200000000, 0.0001886100000000 ] - [ 0.0000514800000000, 0.0006565400000000, 0.0000512100000000 ] - [ -0.0001317700000000, 0.0007512200000000, -0.0000559400000000 ] - [ -0.0012646600000000, 0.0016703400000000, -0.0003270000000000 ] - [ 0.0004640300000000, -0.0006183900000000, 0.0002353200000000 ] - [ -0.0025897100000000, -0.0002671900000000, 0.0001116400000000 ] - [ 0.0008912000000000, 0.0006351700000000, 0.0004724100000000 ] - [ -0.0012181900000000, -0.0043872900000000, -0.0015256300000000 ] - [ -0.0004441800000000, -0.0068039600000000, 0.0031503300000000 ] - [ -0.0000560500000000, 0.0017800100000000, -0.0000510000000000 ] - [ -0.0004515900000000, 0.0001080400000000, -0.0003147800000000 ] - [ -0.0005969900000000, 0.0003655100000000, 0.0000706800000000 ] - [ 0.0028055900000000, -0.0003020700000000, 0.0014206100000000 ] - [ -0.0001738100000000, 0.0014118400000000, -0.0000759100000000 ] - [ 0.0000583100000000, 0.0010514900000000, -0.0000079600000000 ] - [ 0.0011069200000000, 0.0003046000000000, -0.0002980700000000 ] - [ 0.0000459900000000, 0.0010061000000000, -0.0000329200000000 ] - [ 0.0005021700000000, -0.0037240800000000, -0.0004874800000000 ] - [ -0.0010733200000000, -0.0047640600000000, 0.0005677600000000 ] - [ -0.0000489300000000, 0.0009738900000000, 0.0000023500000000 ] - [ -0.0000342700000000, 0.0010889300000000, 0.0000470100000000 ] - [ 0.0000051400000000, 0.0011590500000000, -0.0000312700000000 ] - [ 0.0003429000000000, 0.0010321900000000, 0.0000689500000000 ] - [ 0.0000350200000000, 0.0009167100000000, 0.0000316000000000 ] - [ 0.0000052700000000, 0.0009172100000000, -0.0000081700000000 ] - [ 0.0003999700000000, 0.0008995200000000, 0.0002026200000000 ] - [ -0.0000615000000000, 0.0015585700000000, 0.0000359900000000 ] - [ -0.0000156500000000, 0.0016327500000000, 0.0001327500000000 ] - [ -0.0001038600000000, 0.0010336500000000, -0.0000051700000000 ] - [ -0.0006389300000000, 0.0005339500000000, -0.0001693400000000 ] - [ 0.0000250600000000, -0.0029989500000000, 0.0000143700000000 ] - [ 0.0003518600000000, 0.0011126800000000, -0.0000722400000000 ] - [ 0.0000462300000000, -0.0037106600000000, 0.0000319600000000 ] - [ -0.0000063300000000, 0.0010211600000000, 0.0000034900000000 ] - [ 0.0000243000000000, 0.0009821400000000, -0.0000067300000000 ] - [ 0.0003022000000000, -0.0026919300000000, 0.0001212100000000 ] - [ -0.0003788000000000, -0.0017743600000000, 0.0000353600000000 ] - [ 0.0002277400000000, 0.0188241100000000, -0.0050100500000000 ] - [ 0.0000209700000000, -0.0005609000000000, 0.0000627100000000 ] - [ -0.0000054900000000, -0.0006889600000000, -0.0000292700000000 ] - [ -0.0000010800000000, -0.0005288200000000, -0.0000421700000000 ] - [ 0.0002769000000000, 0.0018059000000000, -0.0005818500000000 ] - [ 0.0000971000000000, -0.0013689200000000, 0.0004749600000000 ] - [ -0.0000151400000000, -0.0004273600000000, -0.0000018500000000 ] - [ -0.0002395700000000, -0.0010856000000000, -0.0002591100000000 ] - [ -0.0001052500000000, -0.0005763500000000, -0.0000054300000000 ] - [ 0.0002850500000000, -0.0016775400000000, 0.0001126000000000 ] - [ 0.0000786700000000, -0.0006734900000000, 0.0000478100000000 ] - [ 0.0001351500000000, 0.0009807200000000, 0.0000877700000000 ] - [ 0.0000102000000000, 0.0007796800000000, -0.0000099200000000 ] - [ 0.0000489800000000, 0.0009966700000000, -0.0001011500000000 ] - [ -0.0000752500000000, -0.0006869700000000, -0.0000443800000000 ] - [ 0.0001502900000000, -0.0004496500000000, 0.0000115900000000 ] - [ 0.0000391500000000, -0.0004479700000000, 0.0000391500000000 ] - [ -0.0002567500000000, -0.0007397100000000, -0.0001050400000000 ] - [ -0.0001134000000000, 0.0008557700000000, -0.0000722900000000 ] - [ 0.0000405100000000, -0.0006139400000000, 0.0000481100000000 ] - [ -0.0021629800000000, -0.0028934900000000, -0.0000211500000000 ] - [ -0.0002566200000000, -0.0004907000000000, 0.0000961100000000 ] - [ -0.0015567500000000, 0.0040539100000000, -0.0001008900000000 ] - [ 0.0013028400000000, 0.0005717900000000, -0.0002888900000000 ] - [ -0.0001677300000000, -0.0010867500000000, 0.0001008400000000 ] - [ -0.0003291300000000, -0.0012689500000000, -0.0001552600000000 ] - [ -0.0008151700000000, 0.0041486900000000, -0.0008198800000000 ] - [ -0.0001021800000000, -0.0005929300000000, -0.0002867100000000 ] - [ 0.0012599700000000, 0.0032497400000000, 0.0007085500000000 ] - [ -0.0033343600000000, 0.0005427900000000, -0.0012893000000000 ] - [ -0.0014542000000000, 0.0003267100000000, -0.0010674700000000 ] - [ 0.0003440800000000, -0.0011790200000000, 0.0001629700000000 ] - [ 0.0001394500000000, -0.0010038300000000, -0.0001246300000000 ] - [ 0.0023310400000000, 0.0004671900000000, 0.0007486200000000 ] - [ 0.0009473300000000, -0.0015589900000000, 0.0006135200000000 ] - [ 0.0002446300000000, -0.0004099900000000, 0.0002218500000000 ] - [ 0.0008297500000000, 0.0032292900000000, -0.0005457100000000 ] - [ 0.0002782800000000, -0.0004306100000000, 0.0000005500000000 ] - [ -0.0002812500000000, -0.0005634300000000, -0.0000829000000000 ] - [ -0.0003938900000000, -0.0006950100000000, -0.0007487100000000 ] - [ 0.0000170900000000, -0.0008610200000000, -0.0000122100000000 ] - [ 0.0004822000000000, -0.0008523000000000, -0.0000742200000000 ] - [ -0.0039099900000000, 0.0012348500000000, 0.0000112100000000 ] - [ -0.0002928800000000, 0.0012588300000000, -0.0001284400000000 ] - [ 0.0001028700000000, -0.0008111600000000, 0.0000951000000000 ] - [ -0.0006073100000000, -0.0005721700000000, 0.0002508600000000 ] - [ -0.0000116300000000, -0.0009477400000000, 0.0000100900000000 ] - [ -0.0003955400000000, -0.0007151900000000, 0.0000582100000000 ] - [ -0.0002785200000000, -0.0007652100000000, -0.0003424800000000 ] - [ 0.0050684200000000, 0.0008390500000000, 0.0024771100000000 ] - [ 0.0021412400000000, 0.0005614700000000, 0.0003806200000000 ] - [ 0.0003238900000000, -0.0008731500000000, 0.0003856300000000 ] - [ 0.0003430100000000, -0.0007295400000000, 0.0000927100000000 ] - [ 0.0007707800000000, -0.0016254500000000, 0.0005189300000000 ] - [ -0.0001081400000000, -0.0008550800000000, -0.0000959900000000 ] - [ 0.0009907700000000, -0.0019188600000000, 0.0000930100000000 ]- atom: 45 displacement: [ -0.0028145825136884, 0.0000000000000000, 0.0095957347438140 ] forces: - [ 0.0002738000000000, -0.0003873800000000, -0.0004965500000000 ] - [ -0.0000082800000000, 0.0000954300000000, 0.0000215400000000 ] - [ 0.0000025400000000, -0.0000095600000000, -0.0000090800000000 ] - [ -0.0000100900000000, 0.0000342700000000, 0.0000327500000000 ] - [ 0.0016182900000000, 0.0003935300000000, 0.0011251100000000 ] - [ -0.0012405500000000, -0.0000743800000000, 0.0000324700000000 ] - [ -0.0002430100000000, 0.0002519600000000, -0.0000765100000000 ] - [ 0.0002783100000000, 0.0002234800000000, 0.0001280400000000 ] - [ 0.0001843400000000, -0.0002101000000000, 0.0000777100000000 ] - [ -0.0001715900000000, -0.0002071800000000, -0.0001597300000000 ] - [ 0.0001850200000000, 0.0004340100000000, -0.0018581400000000 ] - [ -0.0000418800000000, 0.0002144700000000, 0.0009046800000000 ] - [ 0.0009566200000000, -0.0008057800000000, 0.0003142500000000 ] - [ 0.0001559300000000, 0.0004041800000000, -0.0005456800000000 ] - [ 0.0030117700000000, -0.0001214500000000, 0.0010554600000000 ] - [ -0.0013372500000000, -0.0024501000000000, 0.0038822300000000 ] - [ 0.0002624600000000, -0.0002732900000000, 0.0000695200000000 ] - [ -0.0001384700000000, 0.0001626700000000, 0.0003030200000000 ] - [ 0.0000090500000000, 0.0002520100000000, -0.0001619700000000 ] - [ -0.0014673800000000, -0.0008380600000000, 0.0004446400000000 ] - [ -0.0001333900000000, -0.0000330000000000, -0.0000889600000000 ] - [ 0.0000543100000000, -0.0000370600000000, -0.0000145800000000 ] - [ -0.0002477100000000, 0.0002569600000000, 0.0003647000000000 ] - [ 0.0000129700000000, -0.0000123500000000, -0.0000492100000000 ] - [ -0.0012951000000000, 0.0004112300000000, -0.0020652300000000 ] - [ 0.0003259400000000, -0.0010885100000000, 0.0001387900000000 ] - [ -0.0000394000000000, -0.0000326900000000, 0.0000214800000000 ] - [ -0.0000074900000000, -0.0000312200000000, 0.0000558400000000 ] - [ 0.0000690400000000, -0.0000619700000000, 0.0000472200000000 ] - [ 0.0001659400000000, -0.0002206100000000, -0.0000928900000000 ] - [ -0.0000198700000000, -0.0000158500000000, 0.0000400000000000 ] - [ 0.0000288000000000, 0.0000209300000000, -0.0000158800000000 ] - [ -0.0000123800000000, 0.0000866700000000, -0.0001843700000000 ] - [ -0.0002500600000000, -0.0005072700000000, 0.0001087700000000 ] - [ 0.0003269200000000, 0.0005141600000000, 0.0003891800000000 ] - [ -0.0000890900000000, -0.0000592400000000, -0.0000136000000000 ] - [ -0.0002112400000000, 0.0000081900000000, 0.0007703800000000 ] - [ 0.0001099700000000, -0.0001483400000000, -0.0005253800000000 ] - [ -0.0001919800000000, 0.0001345400000000, -0.0002141500000000 ] - [ 0.0004480500000000, -0.0002637200000000, -0.0012118800000000 ] - [ 0.0000027500000000, -0.0000251400000000, -0.0000656500000000 ] - [ -0.0000540400000000, -0.0000067500000000, 0.0000250100000000 ] - [ -0.0001998000000000, -0.0000770600000000, 0.0009551400000000 ] - [ -0.0002547300000000, -0.0000749800000000, 0.0004954200000000 ] - [ 0.0057057000000000, 0.0048512400000000, -0.0225654100000000 ] - [ 0.0000439400000000, 0.0001214300000000, 0.0000198900000000 ] - [ 0.0000634400000000, 0.0000970800000000, -0.0000483100000000 ] - [ -0.0000642900000000, 0.0001075100000000, -0.0000286400000000 ] - [ -0.0024441800000000, -0.0007042400000000, 0.0058768100000000 ] - [ -0.0002391600000000, -0.0004492400000000, 0.0009462800000000 ] - [ -0.0000528000000000, -0.0000539900000000, -0.0000679900000000 ] - [ -0.0003479500000000, 0.0001226200000000, 0.0010113000000000 ] - [ -0.0000704200000000, 0.0000973800000000, 0.0000157600000000 ] - [ 0.0000670300000000, 0.0000779500000000, -0.0002989200000000 ] - [ 0.0000551000000000, -0.0000941100000000, 0.0000474500000000 ] - [ 0.0002529200000000, 0.0001188600000000, 0.0002135400000000 ] - [ 0.0000960800000000, 0.0000698300000000, 0.0000396800000000 ] - [ -0.0002166500000000, 0.0001825800000000, 0.0000021700000000 ] - [ -0.0000442300000000, -0.0000914700000000, -0.0000398900000000 ] - [ 0.0000763100000000, 0.0000027700000000, -0.0000466900000000 ] - [ -0.0000764700000000, -0.0000327600000000, 0.0000798900000000 ] - [ 0.0000191900000000, -0.0000704800000000, 0.0000394300000000 ] - [ -0.0000317300000000, 0.0000317000000000, 0.0000263400000000 ] - [ 0.0000369600000000, -0.0000811300000000, 0.0000195000000000 ] - [ 0.0015289800000000, 0.0018346800000000, 0.0001767500000000 ] - [ -0.0001518400000000, 0.0000588700000000, -0.0002201300000000 ] - [ -0.0036808700000000, -0.0003115200000000, 0.0008329800000000 ] - [ 0.0009585300000000, -0.0001545900000000, -0.0005207700000000 ] - [ 0.0000217500000000, -0.0000212100000000, 0.0001240300000000 ] - [ -0.0001429000000000, -0.0001425100000000, -0.0000911700000000 ] - [ 0.0019021200000000, 0.0002972400000000, 0.0013003700000000 ] - [ -0.0001841000000000, -0.0000120600000000, 0.0000116600000000 ] - [ 0.0013074600000000, -0.0000079400000000, 0.0011942900000000 ] - [ -0.0025793500000000, -0.0007993900000000, 0.0020337500000000 ] - [ -0.0006145300000000, -0.0003306600000000, -0.0016219100000000 ] - [ 0.0001315100000000, -0.0001618700000000, 0.0000829100000000 ] - [ 0.0000214100000000, -0.0000763100000000, -0.0001179900000000 ] - [ 0.0007065500000000, -0.0004391700000000, 0.0019795500000000 ] - [ -0.0006255100000000, 0.0008709700000000, -0.0002303500000000 ] - [ 0.0001807100000000, -0.0000066700000000, 0.0000374300000000 ] - [ -0.0007798600000000, 0.0001252500000000, -0.0002545600000000 ] - [ 0.0001208600000000, 0.0000086000000000, 0.0001497500000000 ] - [ 0.0000118600000000, 0.0000012100000000, 0.0000224100000000 ] - [ -0.0006470900000000, -0.0008260800000000, -0.0007774500000000 ] - [ -0.0001242800000000, 0.0001697900000000, -0.0000790500000000 ] - [ 0.0000723800000000, 0.0001053700000000, 0.0000537800000000 ] - [ -0.0011424200000000, -0.0002595500000000, 0.0046709300000000 ] - [ 0.0001326300000000, -0.0000962200000000, -0.0010516900000000 ] - [ 0.0000261700000000, 0.0000265700000000, 0.0001224100000000 ] - [ 0.0007378000000000, 0.0006016800000000, -0.0002776400000000 ] - [ 0.0001209700000000, 0.0001723800000000, 0.0000937300000000 ] - [ -0.0001243000000000, 0.0000416400000000, -0.0000444700000000 ] - [ -0.0000615400000000, 0.0000095300000000, -0.0001017600000000 ] - [ -0.0010121800000000, -0.0004011200000000, 0.0045683700000000 ] - [ 0.0002313500000000, 0.0003263900000000, -0.0025927200000000 ] - [ 0.0001087600000000, -0.0000651100000000, 0.0001340200000000 ] - [ 0.0000312100000000, 0.0000070100000000, -0.0001505800000000 ] - [ -0.0017085100000000, 0.0014795800000000, 0.0002084200000000 ] - [ -0.0000274000000000, 0.0000362200000000, -0.0001349700000000 ] - [ 0.0016068500000000, -0.0021902300000000, 0.0012735700000000 ]- atom: 45 displacement: [ 0.0028145825136884, 0.0000000000000000, -0.0095957347438140 ] forces: - [ -0.0002710800000000, 0.0003638300000000, 0.0004787400000000 ] - [ 0.0000051900000000, -0.0000527900000000, -0.0000057500000000 ] - [ 0.0000014300000000, -0.0000228600000000, -0.0000069700000000 ] - [ 0.0000064800000000, 0.0000002000000000, -0.0000163700000000 ] - [ -0.0011867800000000, -0.0007728200000000, -0.0009926600000000 ] - [ 0.0008252400000000, -0.0003181800000000, -0.0002028100000000 ] - [ -0.0001645300000000, 0.0001551600000000, -0.0000820500000000 ] - [ 0.0001274200000000, 0.0001853600000000, 0.0000216500000000 ] - [ 0.0002224000000000, -0.0001997900000000, 0.0000813700000000 ] - [ -0.0002392000000000, -0.0002037000000000, 0.0000096700000000 ] - [ -0.0006014800000000, -0.0000353700000000, 0.0016994800000000 ] - [ 0.0004540800000000, 0.0001895000000000, -0.0007563000000000 ] - [ -0.0008278100000000, 0.0007114100000000, -0.0002810100000000 ] - [ -0.0000480300000000, -0.0004033300000000, 0.0004482200000000 ] - [ -0.0029458900000000, 0.0000588100000000, -0.0010205800000000 ] - [ 0.0015296200000000, 0.0023647300000000, -0.0037528800000000 ] - [ -0.0004160200000000, 0.0003885800000000, -0.0000851900000000 ] - [ 0.0000289400000000, -0.0001587000000000, -0.0002072000000000 ] - [ -0.0000456700000000, -0.0002520300000000, 0.0003648100000000 ] - [ 0.0013369600000000, 0.0007719100000000, -0.0004116900000000 ] - [ 0.0002884300000000, 0.0001519500000000, 0.0001044000000000 ] - [ 0.0000403300000000, -0.0000149900000000, -0.0000139500000000 ] - [ 0.0002826900000000, -0.0002529900000000, -0.0005656400000000 ] - [ -0.0000220200000000, 0.0000037400000000, -0.0000517100000000 ] - [ 0.0012791000000000, -0.0004261000000000, 0.0019381700000000 ] - [ -0.0004960800000000, 0.0010941400000000, -0.0000841900000000 ] - [ -0.0000552400000000, -0.0000204900000000, 0.0000075600000000 ] - [ 0.0000169600000000, 0.0000234100000000, 0.0000453100000000 ] - [ 0.0000842900000000, -0.0000532600000000, -0.0000322200000000 ] - [ -0.0000614200000000, 0.0002217800000000, -0.0000047100000000 ] - [ 0.0000296800000000, 0.0000241800000000, 0.0000591200000000 ] - [ 0.0000662500000000, 0.0000348200000000, -0.0000103000000000 ] - [ -0.0001396800000000, 0.0000284900000000, 0.0001693600000000 ] - [ 0.0001504500000000, 0.0005100300000000, -0.0000131600000000 ] - [ -0.0003577700000000, -0.0005125000000000, -0.0001835000000000 ] - [ -0.0000644000000000, -0.0000562200000000, -0.0000013700000000 ] - [ 0.0003621700000000, 0.0001043900000000, -0.0007554700000000 ] - [ -0.0000167700000000, 0.0000910500000000, 0.0005003400000000 ] - [ 0.0002253800000000, -0.0001338000000000, 0.0000119500000000 ] - [ -0.0004584400000000, 0.0002496500000000, 0.0011162600000000 ] - [ -0.0000121600000000, 0.0000339600000000, -0.0000327300000000 ] - [ -0.0000409200000000, 0.0000608600000000, 0.0000010600000000 ] - [ 0.0001159500000000, 0.0000194000000000, -0.0009253200000000 ] - [ 0.0002583200000000, 0.0000610800000000, -0.0004004000000000 ] - [ -0.0057005600000000, -0.0048990000000000, 0.0224876900000000 ] - [ 0.0000523400000000, 0.0000795800000000, 0.0000703300000000 ] - [ 0.0000407700000000, 0.0000875400000000, 0.0000825000000000 ] - [ -0.0000311200000000, 0.0000932300000000, -0.0000625500000000 ] - [ 0.0022990800000000, 0.0004930700000000, -0.0058841400000000 ] - [ 0.0003644900000000, 0.0004540000000000, -0.0010828100000000 ] - [ -0.0000719800000000, 0.0000560200000000, 0.0002006100000000 ] - [ 0.0002438300000000, -0.0003063500000000, -0.0010494200000000 ] - [ -0.0000339500000000, 0.0000875200000000, -0.0000499900000000 ] - [ 0.0000327100000000, -0.0002543200000000, 0.0003331800000000 ] - [ 0.0000387700000000, -0.0001087100000000, 0.0000430900000000 ] - [ -0.0001590300000000, 0.0000845000000000, -0.0001227500000000 ] - [ 0.0000074800000000, 0.0001161200000000, -0.0000061400000000 ] - [ 0.0001241300000000, 0.0000210900000000, -0.0000933100000000 ] - [ -0.0000504900000000, -0.0001113700000000, -0.0000501700000000 ] - [ 0.0000483000000000, -0.0000042100000000, -0.0000817400000000 ] - [ -0.0000467700000000, 0.0000318700000000, 0.0000484300000000 ] - [ -0.0001226700000000, -0.0001162900000000, -0.0000741900000000 ] - [ -0.0000725300000000, 0.0001551700000000, -0.0000617100000000 ] - [ 0.0000667400000000, -0.0001055100000000, 0.0000150300000000 ] - [ -0.0015409100000000, -0.0018293600000000, -0.0002382100000000 ] - [ -0.0000527600000000, -0.0000202600000000, -0.0000146900000000 ] - [ 0.0034596700000000, 0.0006391700000000, -0.0009980000000000 ] - [ -0.0007075300000000, 0.0001762200000000, 0.0006144500000000 ] - [ 0.0000260600000000, -0.0000325600000000, 0.0001326300000000 ] - [ -0.0001134800000000, -0.0001749300000000, -0.0000723200000000 ] - [ -0.0018535700000000, -0.0002415300000000, -0.0010524400000000 ] - [ -0.0000738800000000, -0.0000133000000000, -0.0001007000000000 ] - [ -0.0010619800000000, 0.0003289100000000, -0.0010290500000000 ] - [ 0.0023397900000000, 0.0008242200000000, -0.0021325200000000 ] - [ 0.0004080900000000, 0.0002812400000000, 0.0013965300000000 ] - [ 0.0001236500000000, -0.0001545000000000, 0.0000826400000000 ] - [ -0.0000693200000000, 0.0000221900000000, -0.0001379200000000 ] - [ -0.0005052100000000, 0.0003981600000000, -0.0017556900000000 ] - [ 0.0006418800000000, -0.0008716300000000, 0.0002925200000000 ] - [ 0.0000750400000000, -0.0000197300000000, 0.0000544600000000 ] - [ 0.0007409200000000, -0.0000712900000000, -0.0000046100000000 ] - [ 0.0000828800000000, 0.0000302400000000, 0.0000847600000000 ] - [ -0.0000266700000000, -0.0000021400000000, -0.0000835200000000 ] - [ 0.0004434300000000, 0.0008631900000000, 0.0005458800000000 ] - [ -0.0001302000000000, 0.0001452800000000, -0.0000861300000000 ] - [ 0.0001843700000000, -0.0000813700000000, 0.0000344000000000 ] - [ 0.0011976000000000, 0.0002145400000000, -0.0044286100000000 ] - [ -0.0003923800000000, -0.0002100800000000, 0.0008898200000000 ] - [ 0.0000225900000000, 0.0000246100000000, 0.0001340800000000 ] - [ -0.0009994600000000, -0.0006343900000000, 0.0001880500000000 ] - [ 0.0001337100000000, 0.0001431500000000, 0.0000706500000000 ] - [ -0.0001329500000000, -0.0000173400000000, -0.0000442200000000 ] - [ -0.0001421200000000, -0.0000499500000000, -0.0001353500000000 ] - [ 0.0012832600000000, 0.0000989800000000, -0.0044075300000000 ] - [ -0.0002946800000000, -0.0003553500000000, 0.0023382800000000 ] - [ 0.0000947400000000, 0.0000240700000000, 0.0001026300000000 ] - [ -0.0000166900000000, -0.0000072400000000, 0.0002117500000000 ] - [ 0.0019786800000000, -0.0015240200000000, -0.0001156200000000 ] - [ -0.0000211800000000, 0.0000153200000000, -0.0001219600000000 ] - [ -0.0013972900000000, 0.0022150400000000, -0.0010377600000000 ]- atom: 47 displacement: [ 0.0099999418370919, 0.0000000000000000, 0.0000341065210551 ] forces: - [ 0.0000004900000000, -0.0000366700000000, -0.0000004400000000 ] - [ 0.0000336200000000, 0.0000094500000000, 0.0000276500000000 ] - [ 0.0000503300000000, 0.0000123900000000, -0.0000120500000000 ] - [ 0.0000305900000000, 0.0000284100000000, -0.0000286000000000 ] - [ 0.0003380200000000, -0.0002992100000000, 0.0001098900000000 ] - [ -0.0001145600000000, -0.0001497000000000, -0.0000580900000000 ] - [ 0.0004108500000000, -0.0006246600000000, -0.0000001800000000 ] - [ 0.0011345800000000, 0.0014352500000000, 0.0003419200000000 ] - [ -0.0018958700000000, -0.0005659000000000, -0.0007543800000000 ] - [ -0.0017050000000000, -0.0002582000000000, 0.0000706900000000 ] - [ -0.0014580500000000, -0.0006675500000000, 0.0008813700000000 ] - [ -0.0004808000000000, 0.0009171600000000, -0.0006122000000000 ] - [ 0.0001579000000000, -0.0001014100000000, 0.0000287900000000 ] - [ -0.0001034800000000, 0.0001360100000000, -0.0000777200000000 ] - [ 0.0006787100000000, -0.0006721000000000, 0.0001699600000000 ] - [ 0.0005286900000000, -0.0003533800000000, 0.0001436900000000 ] - [ 0.0003294200000000, 0.0002403200000000, 0.0001090100000000 ] - [ -0.0002511800000000, -0.0001794200000000, -0.0000211200000000 ] - [ -0.0002084900000000, -0.0001783000000000, 0.0000716200000000 ] - [ 0.0000337100000000, -0.0001040600000000, 0.0000240200000000 ] - [ 0.0004750000000000, -0.0005448200000000, 0.0002153000000000 ] - [ 0.0015607900000000, 0.0003879200000000, 0.0008777400000000 ] - [ -0.0001515000000000, 0.0001823800000000, -0.0001681800000000 ] - [ -0.0003291600000000, -0.0016389400000000, -0.0008879500000000 ] - [ 0.0003304600000000, 0.0005315100000000, -0.0000000400000000 ] - [ 0.0002690900000000, 0.0006022900000000, 0.0001835600000000 ] - [ -0.0009118100000000, -0.0020683000000000, 0.0006442700000000 ] - [ 0.0016712500000000, 0.0000576700000000, -0.0020127800000000 ] - [ -0.0025379600000000, 0.0002719300000000, -0.0010752100000000 ] - [ -0.0002691200000000, 0.0011460200000000, -0.0006442500000000 ] - [ -0.0007973100000000, -0.0004302000000000, -0.0003558300000000 ] - [ -0.0009041300000000, -0.0006093800000000, -0.0001717600000000 ] - [ -0.0009926300000000, 0.0012141900000000, -0.0001992400000000 ] - [ 0.0013549000000000, -0.0001036900000000, -0.0023409500000000 ] - [ 0.0018389600000000, 0.0001478800000000, 0.0011717700000000 ] - [ -0.0014748900000000, -0.0002973200000000, -0.0004138300000000 ] - [ -0.0007873600000000, -0.0016226100000000, -0.0007114800000000 ] - [ -0.0001653000000000, 0.0000941600000000, -0.0000647400000000 ] - [ -0.0011197100000000, 0.0008689600000000, 0.0006417800000000 ] - [ -0.0001706900000000, -0.0003143100000000, -0.0000883800000000 ] - [ -0.0008083300000000, 0.0004790900000000, -0.0000477600000000 ] - [ -0.0009694900000000, 0.0010603800000000, -0.0005980100000000 ] - [ -0.0001946100000000, -0.0002789300000000, -0.0000302700000000 ] - [ -0.0002321300000000, 0.0002129100000000, -0.0000071800000000 ] - [ -0.0001552400000000, -0.0000424500000000, -0.0000119700000000 ] - [ -0.0007260500000000, 0.0003330300000000, -0.0001738900000000 ] - [ -0.0175730200000000, 0.0003142900000000, 0.0021882400000000 ] - [ -0.0015737700000000, 0.0002867200000000, -0.0007884000000000 ] - [ -0.0002508500000000, -0.0001525400000000, -0.0001147200000000 ] - [ -0.0000424000000000, 0.0000363700000000, -0.0000855300000000 ] - [ -0.0001580200000000, 0.0000282300000000, 0.0000102100000000 ] - [ -0.0015398200000000, -0.0007738100000000, -0.0007968300000000 ] - [ -0.0000606100000000, -0.0000201000000000, -0.0017571200000000 ] - [ -0.0009411000000000, -0.0000243700000000, -0.0000963500000000 ] - [ 0.0007250300000000, -0.0000577200000000, 0.0002810600000000 ] - [ 0.0003926100000000, 0.0000891100000000, 0.0001212600000000 ] - [ 0.0001686200000000, 0.0001195400000000, 0.0000393800000000 ] - [ 0.0002807300000000, 0.0003055300000000, 0.0001343100000000 ] - [ 0.0006633700000000, -0.0001616100000000, 0.0001937400000000 ] - [ 0.0005273300000000, -0.0000485900000000, 0.0001359800000000 ] - [ 0.0004153500000000, -0.0000320900000000, 0.0001806400000000 ] - [ 0.0002200700000000, -0.0002805900000000, 0.0001440400000000 ] - [ 0.0000416300000000, 0.0001131700000000, 0.0000064600000000 ] - [ 0.0003512200000000, 0.0000250900000000, 0.0000836600000000 ] - [ 0.0000028900000000, -0.0000322200000000, -0.0000138900000000 ] - [ -0.0003336600000000, -0.0005072400000000, 0.0001232500000000 ] - [ -0.0001665700000000, 0.0003368000000000, -0.0000958600000000 ] - [ 0.0001097600000000, 0.0000169300000000, 0.0000414100000000 ] - [ 0.0003529700000000, -0.0006843400000000, 0.0000880600000000 ] - [ 0.0007000100000000, -0.0032607700000000, 0.0004346200000000 ] - [ 0.0000198700000000, 0.0001772100000000, 0.0001155500000000 ] - [ -0.0000424400000000, -0.0004329900000000, -0.0003360800000000 ] - [ 0.0001497700000000, -0.0000251700000000, 0.0000980200000000 ] - [ -0.0001797600000000, 0.0000386500000000, -0.0000616800000000 ] - [ -0.0001490400000000, -0.0000028100000000, -0.0001245300000000 ] - [ 0.0004276600000000, 0.0016684800000000, 0.0001059500000000 ] - [ 0.0009487500000000, 0.0019532700000000, 0.0003042300000000 ] - [ 0.0000851400000000, -0.0000144100000000, 0.0001170000000000 ] - [ 0.0001001600000000, 0.0001492300000000, 0.0000552700000000 ] - [ 0.0002054600000000, 0.0003721200000000, -0.0000817600000000 ] - [ 0.0000807200000000, -0.0001166800000000, -0.0001149600000000 ] - [ 0.0000732700000000, 0.0003372000000000, 0.0002324400000000 ] - [ 0.0029303800000000, 0.0003233700000000, -0.0003704500000000 ] - [ 0.0015400000000000, -0.0021578300000000, 0.0015168300000000 ] - [ 0.0004576000000000, 0.0006172300000000, 0.0001650000000000 ] - [ 0.0014155500000000, -0.0008675200000000, -0.0004635300000000 ] - [ -0.0001210600000000, -0.0003459200000000, 0.0000771200000000 ] - [ -0.0001453700000000, -0.0009626800000000, -0.0000022000000000 ] - [ 0.0018957800000000, -0.0002510600000000, 0.0006151900000000 ] - [ 0.0012033700000000, -0.0013836800000000, -0.0003809500000000 ] - [ 0.0021889200000000, 0.0005036000000000, -0.0003614000000000 ] - [ 0.0009092500000000, 0.0001239200000000, 0.0003337500000000 ] - [ 0.0012970600000000, 0.0002796200000000, 0.0002937300000000 ] - [ 0.0000912700000000, 0.0007519000000000, -0.0001426100000000 ] - [ -0.0004727500000000, 0.0004912400000000, -0.0001826000000000 ] - [ 0.0003887400000000, -0.0002638300000000, 0.0008722700000000 ] - [ 0.0042242800000000, 0.0042614400000000, 0.0017120000000000 ] - [ 0.0035771400000000, 0.0031111700000000, 0.0001677300000000 ] - [ 0.0025290300000000, -0.0030196100000000, 0.0010258900000000 ] - [ 0.0007470200000000, 0.0008209700000000, 0.0002125900000000 ]- atom: 47 displacement: [ -0.0099999418370919, 0.0000000000000000, -0.0000341065210551 ] forces: - [ 0.0000036700000000, 0.0000112700000000, -0.0000166000000000 ] - [ -0.0000368800000000, 0.0000244000000000, -0.0000117500000000 ] - [ -0.0000467400000000, -0.0000536800000000, -0.0000041300000000 ] - [ -0.0000338400000000, 0.0000130200000000, 0.0000445400000000 ] - [ 0.0000553200000000, -0.0001032000000000, 0.0000464300000000 ] - [ -0.0002824800000000, -0.0002533500000000, -0.0000902700000000 ] - [ -0.0008164400000000, 0.0010339100000000, -0.0001592500000000 ] - [ -0.0007341000000000, -0.0010313700000000, -0.0001928100000000 ] - [ 0.0023117000000000, 0.0001680900000000, 0.0009213800000000 ] - [ 0.0013122800000000, -0.0001344300000000, -0.0002075300000000 ] - [ 0.0010612400000000, 0.0010775300000000, -0.0010228200000000 ] - [ 0.0008849600000000, -0.0005145600000000, 0.0007719300000000 ] - [ -0.0000066100000000, -0.0000121600000000, -0.0000120900000000 ] - [ 0.0002097900000000, -0.0001390300000000, -0.0000232600000000 ] - [ -0.0006715800000000, 0.0006849000000000, -0.0000710800000000 ] - [ -0.0004357700000000, 0.0004136100000000, -0.0001717500000000 ] - [ -0.0004835900000000, -0.0001319200000000, -0.0001247900000000 ] - [ 0.0001469500000000, 0.0001795800000000, 0.0001219000000000 ] - [ 0.0001807200000000, 0.0001780400000000, 0.0001301900000000 ] - [ -0.0001865600000000, -0.0000098500000000, -0.0000397000000000 ] - [ -0.0003295500000000, 0.0006636000000000, -0.0002000700000000 ] - [ -0.0014470000000000, -0.0004817500000000, -0.0008825500000000 ] - [ 0.0001824900000000, -0.0001835300000000, -0.0000326000000000 ] - [ 0.0003116400000000, 0.0016301400000000, 0.0007781700000000 ] - [ -0.0003413000000000, -0.0005243700000000, -0.0001016900000000 ] - [ -0.0003670200000000, -0.0005536600000000, -0.0001564100000000 ] - [ 0.0008077300000000, 0.0020138400000000, -0.0006141600000000 ] - [ -0.0016003100000000, -0.0001536700000000, 0.0020440900000000 ] - [ 0.0026986900000000, -0.0003870900000000, 0.0010891800000000 ] - [ 0.0003645700000000, -0.0011399600000000, 0.0005295800000000 ] - [ 0.0008111900000000, 0.0004415500000000, 0.0004597800000000 ] - [ 0.0010056100000000, 0.0006672000000000, 0.0001453200000000 ] - [ 0.0008450100000000, -0.0011076800000000, 0.0001832000000000 ] - [ -0.0013797400000000, 0.0002037800000000, 0.0023615000000000 ] - [ -0.0018407700000000, -0.0000929300000000, -0.0009365300000000 ] - [ 0.0013307900000000, 0.0001857800000000, 0.0004004000000000 ] - [ 0.0009471400000000, 0.0017346100000000, 0.0007249400000000 ] - [ 0.0002610100000000, -0.0001471200000000, 0.0000383400000000 ] - [ 0.0011282500000000, -0.0008344100000000, -0.0008324300000000 ] - [ 0.0001619800000000, 0.0003081800000000, -0.0000112400000000 ] - [ 0.0008035200000000, -0.0004738200000000, -0.0000472600000000 ] - [ 0.0008801300000000, -0.0010027200000000, 0.0006216900000000 ] - [ 0.0001008800000000, 0.0002263700000000, 0.0000579600000000 ] - [ 0.0002418800000000, -0.0002227500000000, 0.0001064900000000 ] - [ 0.0002579700000000, -0.0001555800000000, 0.0000971500000000 ] - [ 0.0008342500000000, -0.0001280100000000, 0.0002612900000000 ] - [ 0.0175403800000000, -0.0002071100000000, -0.0021116500000000 ] - [ 0.0014833100000000, -0.0000918100000000, 0.0007062400000000 ] - [ 0.0001500700000000, -0.0000444600000000, 0.0000307200000000 ] - [ 0.0001602500000000, -0.0000521100000000, -0.0000100600000000 ] - [ 0.0000439000000000, -0.0000446400000000, 0.0000865700000000 ] - [ 0.0014401800000000, 0.0005934900000000, 0.0007689000000000 ] - [ -0.0000480500000000, 0.0002064800000000, 0.0017480900000000 ] - [ 0.0010555200000000, -0.0001739300000000, 0.0001330000000000 ] - [ -0.0006264600000000, -0.0001432900000000, -0.0001973600000000 ] - [ -0.0002911400000000, 0.0001120200000000, -0.0000365500000000 ] - [ -0.0000574400000000, 0.0000688300000000, -0.0000057500000000 ] - [ -0.0003842700000000, -0.0001048500000000, -0.0002192700000000 ] - [ -0.0007695100000000, -0.0000385700000000, -0.0002803100000000 ] - [ -0.0004142000000000, 0.0000452900000000, -0.0002390400000000 ] - [ -0.0005341300000000, 0.0000288700000000, -0.0000812800000000 ] - [ -0.0003346000000000, 0.0000934500000000, -0.0001766300000000 ] - [ -0.0001537600000000, 0.0000754800000000, -0.0000408700000000 ] - [ -0.0002403900000000, -0.0002129400000000, -0.0000496900000000 ] - [ -0.0000178500000000, 0.0000335400000000, -0.0000467800000000 ] - [ 0.0001308900000000, 0.0005500400000000, -0.0003549200000000 ] - [ -0.0000874600000000, -0.0000268300000000, -0.0000684100000000 ] - [ 0.0001443600000000, 0.0000081500000000, 0.0000510000000000 ] - [ -0.0003222000000000, 0.0006569100000000, 0.0001677000000000 ] - [ -0.0009503900000000, 0.0029497700000000, -0.0005952600000000 ] - [ 0.0000279200000000, -0.0001252800000000, 0.0001396100000000 ] - [ -0.0002102100000000, 0.0004123200000000, 0.0002447900000000 ] - [ 0.0001047000000000, 0.0003358900000000, 0.0000645100000000 ] - [ -0.0000749800000000, -0.0000143000000000, -0.0000308000000000 ] - [ -0.0000542600000000, -0.0000373200000000, -0.0001078000000000 ] - [ -0.0001739900000000, -0.0019849100000000, 0.0000589300000000 ] - [ -0.0010082400000000, -0.0020252600000000, -0.0005657100000000 ] - [ 0.0001185800000000, -0.0000252700000000, 0.0001144200000000 ] - [ -0.0000866800000000, -0.0001499100000000, 0.0000056900000000 ] - [ 0.0000485600000000, -0.0003957000000000, 0.0001727300000000 ] - [ -0.0001297800000000, 0.0001707100000000, -0.0001403300000000 ] - [ 0.0001285400000000, -0.0002953800000000, 0.0000010400000000 ] - [ -0.0029737300000000, -0.0003331400000000, 0.0003281200000000 ] - [ -0.0017591000000000, 0.0022181000000000, -0.0017676000000000 ] - [ -0.0007091200000000, -0.0003157000000000, -0.0003315500000000 ] - [ -0.0011511400000000, 0.0008882200000000, 0.0005381000000000 ] - [ 0.0001726600000000, 0.0002967300000000, 0.0001797100000000 ] - [ -0.0001066100000000, 0.0006600700000000, -0.0001623600000000 ] - [ -0.0018609000000000, 0.0003078500000000, -0.0003530300000000 ] - [ -0.0014557500000000, 0.0013595500000000, 0.0002904200000000 ] - [ -0.0019521400000000, -0.0001989900000000, 0.0005135900000000 ] - [ -0.0011678800000000, -0.0000977400000000, -0.0004370900000000 ] - [ -0.0015195200000000, -0.0003205600000000, -0.0005227300000000 ] - [ 0.0001622600000000, -0.0010656300000000, 0.0003039900000000 ] - [ 0.0004214200000000, -0.0005436600000000, -0.0000718900000000 ] - [ -0.0001959200000000, 0.0002292300000000, -0.0006399800000000 ] - [ -0.0041703600000000, -0.0042001900000000, -0.0016334800000000 ] - [ -0.0033206500000000, -0.0031364100000000, -0.0000746000000000 ] - [ -0.0025481300000000, 0.0030291100000000, -0.0012724500000000 ] - [ -0.0005736000000000, -0.0008110500000000, 0.0000046600000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000083500000000, -0.0003897100000000, -0.0000099900000000 ] - [ -0.0000114100000000, -0.0003785000000000, -0.0000095500000000 ] - [ 0.0000393800000000, 0.0003928200000000, 0.0000012300000000 ] - [ 0.0000433000000000, 0.0005481000000000, 0.0000022800000000 ] - [ 0.0004451700000000, -0.0013456100000000, 0.0001484400000000 ] - [ -0.0003931400000000, -0.0011664800000000, -0.0001353800000000 ] - [ -0.0003021200000000, -0.0006900600000000, -0.0000687000000000 ] - [ -0.0004400800000000, -0.0016237900000000, -0.0001627500000000 ] - [ -0.0000426500000000, 0.0013859400000000, 0.0000557200000000 ] - [ -0.0001326800000000, 0.0044895300000000, -0.0001849200000000 ] - [ -0.0013740300000000, -0.0011726700000000, -0.0003903000000000 ] - [ 0.0001951300000000, -0.0003075800000000, 0.0002245100000000 ] - [ 0.0000501000000000, -0.0014238300000000, 0.0000196100000000 ] - [ 0.0002118100000000, -0.0013050000000000, 0.0000223600000000 ] - [ 0.0001196700000000, -0.0017538100000000, 0.0000806200000000 ] - [ 0.0002017700000000, -0.0016476000000000, 0.0000635300000000 ] - [ -0.0002652400000000, -0.0018745500000000, 0.0000866900000000 ] - [ -0.0000774000000000, -0.0010637500000000, 0.0000309800000000 ] - [ -0.0000535400000000, -0.0010991200000000, 0.0001031700000000 ] - [ -0.0000348800000000, -0.0015850000000000, -0.0000207200000000 ] - [ -0.0002468900000000, -0.0012994400000000, -0.0000859400000000 ] - [ 0.0025664500000000, 0.0006266000000000, -0.0001879600000000 ] - [ 0.0002108600000000, -0.0013405800000000, -0.0000707500000000 ] - [ -0.0014784700000000, 0.0012435500000000, -0.0008021300000000 ] - [ 0.0004113600000000, -0.0010429400000000, 0.0000969400000000 ] - [ 0.0002758000000000, -0.0009972000000000, 0.0000571600000000 ] - [ -0.0015698800000000, 0.0008321900000000, -0.0000173400000000 ] - [ 0.0019433300000000, 0.0016701000000000, 0.0025147100000000 ] - [ 0.0001972800000000, 0.0040410700000000, 0.0000512400000000 ] - [ 0.0008014000000000, 0.0026383000000000, -0.0000119100000000 ] - [ -0.0002774300000000, 0.0001484100000000, -0.0000958700000000 ] - [ -0.0004039300000000, -0.0002454600000000, -0.0001340300000000 ] - [ 0.0002225500000000, -0.0001354300000000, 0.0000575400000000 ] - [ -0.0010930800000000, 0.0032764000000000, -0.0038902000000000 ] - [ -0.0025647100000000, 0.0030457400000000, 0.0031039600000000 ] - [ -0.0001419800000000, 0.0030999900000000, -0.0000115000000000 ] - [ -0.0009970500000000, -0.0009076500000000, -0.0003181900000000 ] - [ -0.0000045000000000, -0.0009785600000000, -0.0000259800000000 ] - [ 0.0003819000000000, 0.0029547800000000, -0.0000209200000000 ] - [ -0.0002380600000000, -0.0013707800000000, -0.0000858700000000 ] - [ 0.0010769100000000, -0.0004688300000000, 0.0003663600000000 ] - [ 0.0012553100000000, -0.0004355200000000, 0.0002832200000000 ] - [ -0.0001932900000000, -0.0012183500000000, -0.0000213200000000 ] - [ 0.0000175000000000, -0.0009967700000000, 0.0000387500000000 ] - [ -0.0000830800000000, 0.0006817100000000, 0.0000128200000000 ] - [ 0.0002693200000000, 0.0016444800000000, -0.0000609900000000 ] - [ 0.0001927400000000, -0.0237508900000000, -0.0019324800000000 ] - [ 0.0007421800000000, 0.0010973600000000, 0.0004090200000000 ] - [ -0.0001325000000000, 0.0005706100000000, -0.0000765700000000 ] - [ 0.0000994200000000, 0.0006666200000000, -0.0000553800000000 ] - [ -0.0000268700000000, 0.0006978300000000, 0.0000813900000000 ] - [ -0.0007335800000000, 0.0007565400000000, -0.0002588600000000 ] - [ 0.0000689500000000, -0.0016524600000000, -0.0000255100000000 ] - [ -0.0000237600000000, 0.0016878300000000, -0.0000203500000000 ] - [ -0.0000739700000000, -0.0007897700000000, -0.0000130300000000 ] - [ 0.0002363000000000, 0.0006196800000000, 0.0000875600000000 ] - [ 0.0000748300000000, 0.0008313500000000, 0.0000584600000000 ] - [ 0.0001316000000000, 0.0007478900000000, 0.0000320900000000 ] - [ -0.0003138300000000, -0.0008664400000000, -0.0000609900000000 ] - [ 0.0001614900000000, -0.0008566600000000, -0.0000612200000000 ] - [ 0.0000150400000000, -0.0008348100000000, 0.0001168900000000 ] - [ -0.0002352900000000, 0.0005845200000000, -0.0001055600000000 ] - [ -0.0000687300000000, 0.0008946000000000, -0.0000650300000000 ] - [ -0.0000694400000000, 0.0004011600000000, 0.0000032800000000 ] - [ -0.0001329200000000, 0.0011615300000000, -0.0000745500000000 ] - [ -0.0003081900000000, 0.0010810600000000, -0.0006427400000000 ] - [ -0.0002712100000000, 0.0015649000000000, -0.0001283400000000 ] - [ -0.0001091500000000, 0.0007580500000000, 0.0001915300000000 ] - [ -0.0018992400000000, 0.0030307500000000, 0.0001724500000000 ] - [ -0.0010505800000000, 0.0035748900000000, -0.0007556000000000 ] - [ 0.0000155100000000, 0.0012157800000000, 0.0001329300000000 ] - [ -0.0007213600000000, 0.0010059300000000, 0.0002417700000000 ] - [ 0.0002612300000000, 0.0012981700000000, 0.0001286900000000 ] - [ 0.0001298300000000, 0.0008761500000000, -0.0002166600000000 ] - [ 0.0000159900000000, 0.0008133400000000, 0.0001552300000000 ] - [ 0.0005473100000000, 0.0011833300000000, 0.0000849900000000 ] - [ 0.0005347900000000, 0.0011551400000000, 0.0002364900000000 ] - [ -0.0000050200000000, 0.0007138200000000, -0.0001148600000000 ] - [ 0.0000890700000000, 0.0009941700000000, 0.0000406400000000 ] - [ 0.0006669000000000, 0.0005994100000000, -0.0001123300000000 ] - [ 0.0000327200000000, 0.0010020800000000, -0.0001403300000000 ] - [ 0.0004552300000000, 0.0006134100000000, 0.0004464800000000 ] - [ -0.0024318900000000, -0.0014061100000000, -0.0003850000000000 ] - [ -0.0007566800000000, 0.0010528000000000, -0.0008071000000000 ] - [ 0.0007679400000000, -0.0013511500000000, 0.0000707900000000 ] - [ 0.0016466300000000, -0.0037472700000000, -0.0001531300000000 ] - [ -0.0002914600000000, 0.0004914700000000, -0.0000145600000000 ] - [ -0.0002482100000000, 0.0005953000000000, -0.0001116200000000 ] - [ 0.0023881500000000, -0.0014834000000000, 0.0012526900000000 ] - [ -0.0008070400000000, 0.0007374500000000, 0.0001681700000000 ] - [ -0.0049595300000000, -0.0034101500000000, -0.0008615500000000 ] - [ -0.0007140000000000, -0.0019153000000000, 0.0003024100000000 ] - [ -0.0004048000000000, -0.0020013000000000, -0.0007446700000000 ] - [ 0.0001866500000000, 0.0016516100000000, 0.0000644200000000 ] - [ 0.0000512400000000, 0.0009458500000000, -0.0000409100000000 ] - [ 0.0012310600000000, -0.0035428500000000, 0.0010294800000000 ] - [ 0.0047702900000000, 0.0007249500000000, 0.0013281100000000 ] - [ 0.0033865600000000, 0.0034032900000000, 0.0006703100000000 ] - [ -0.0035956700000000, -0.0000200200000000, -0.0011768900000000 ] - [ 0.0029601000000000, 0.0033728400000000, 0.0010509100000000 ]- atom: 47 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000046600000000, 0.0003503400000000, -0.0000062500000000 ] - [ 0.0000079300000000, 0.0004147300000000, 0.0000267600000000 ] - [ -0.0000364200000000, -0.0004307000000000, -0.0000179800000000 ] - [ -0.0000469300000000, -0.0005090700000000, 0.0000135900000000 ] - [ -0.0000411300000000, 0.0009363300000000, 0.0000103000000000 ] - [ -0.0000125400000000, 0.0007574800000000, -0.0000144200000000 ] - [ -0.0001051100000000, 0.0011007900000000, -0.0000914300000000 ] - [ 0.0008537000000000, 0.0020380700000000, 0.0003147800000000 ] - [ 0.0004410500000000, -0.0018049400000000, 0.0001018700000000 ] - [ -0.0002793700000000, -0.0049296700000000, 0.0000349400000000 ] - [ 0.0009602500000000, 0.0015864900000000, 0.0002278900000000 ] - [ 0.0002150400000000, 0.0007238900000000, -0.0000716700000000 ] - [ 0.0001008900000000, 0.0013041300000000, -0.0000065600000000 ] - [ -0.0001122100000000, 0.0013073100000000, -0.0001154100000000 ] - [ -0.0000965000000000, 0.0017690400000000, 0.0000203900000000 ] - [ -0.0000987900000000, 0.0017031600000000, -0.0000876300000000 ] - [ 0.0001141900000000, 0.0020029700000000, -0.0001020100000000 ] - [ -0.0000233400000000, 0.0010640200000000, 0.0000622700000000 ] - [ 0.0000234300000000, 0.0010999900000000, 0.0001060000000000 ] - [ -0.0001155100000000, 0.0014645900000000, 0.0000069500000000 ] - [ 0.0004005900000000, 0.0014232100000000, 0.0000991800000000 ] - [ -0.0024462600000000, -0.0007624100000000, 0.0002464600000000 ] - [ -0.0001816000000000, 0.0013423800000000, -0.0001390000000000 ] - [ 0.0014350900000000, -0.0012962500000000, 0.0006734900000000 ] - [ -0.0004340300000000, 0.0010629600000000, -0.0001963500000000 ] - [ -0.0003777700000000, 0.0010572000000000, -0.0000336600000000 ] - [ 0.0014463600000000, -0.0009181200000000, 0.0000485800000000 ] - [ -0.0018376500000000, -0.0017821300000000, -0.0024994200000000 ] - [ -0.0000248100000000, -0.0041690100000000, -0.0000324100000000 ] - [ -0.0007355500000000, -0.0025997600000000, -0.0001256900000000 ] - [ 0.0002983700000000, -0.0001377400000000, 0.0001950400000000 ] - [ 0.0005056900000000, 0.0003021900000000, 0.0001112000000000 ] - [ -0.0003748000000000, 0.0002612300000000, -0.0000710800000000 ] - [ 0.0011210200000000, -0.0031651200000000, 0.0038696800000000 ] - [ 0.0025836800000000, -0.0029340300000000, -0.0027278200000000 ] - [ -0.0000122400000000, -0.0032285900000000, -0.0000027300000000 ] - [ 0.0011496800000000, 0.0010357800000000, 0.0003326300000000 ] - [ 0.0001071200000000, 0.0009240100000000, 0.0000036600000000 ] - [ -0.0004139600000000, -0.0029105400000000, -0.0001700300000000 ] - [ 0.0002141200000000, 0.0013564000000000, -0.0000135000000000 ] - [ -0.0011045900000000, 0.0004874800000000, -0.0004672500000000 ] - [ -0.0013602200000000, 0.0004886600000000, -0.0002600600000000 ] - [ 0.0000898400000000, 0.0011639400000000, 0.0000437400000000 ] - [ 0.0000051400000000, 0.0009846600000000, 0.0000596700000000 ] - [ 0.0001769400000000, -0.0008839700000000, 0.0000765400000000 ] - [ -0.0001771900000000, -0.0014842700000000, 0.0001530500000000 ] - [ -0.0003391500000000, 0.0238637900000000, 0.0019500000000000 ] - [ -0.0008415500000000, -0.0008930300000000, -0.0005016500000000 ] - [ 0.0000372300000000, -0.0007741900000000, -0.0000141600000000 ] - [ 0.0000254000000000, -0.0006710400000000, -0.0000741400000000 ] - [ -0.0000991100000000, -0.0007039400000000, 0.0000489800000000 ] - [ 0.0006300300000000, -0.0009479500000000, 0.0002243200000000 ] - [ -0.0001594300000000, 0.0018406100000000, -0.0000153800000000 ] - [ 0.0001280500000000, -0.0018292700000000, 0.0000540900000000 ] - [ 0.0001705400000000, 0.0005863800000000, 0.0001055700000000 ] - [ -0.0001409800000000, -0.0004181900000000, 0.0000035700000000 ] - [ 0.0000276100000000, -0.0006428100000000, -0.0000235900000000 ] - [ -0.0002254400000000, -0.0005448500000000, -0.0001228500000000 ] - [ 0.0002214600000000, 0.0006629100000000, -0.0000305700000000 ] - [ -0.0000307800000000, 0.0008585200000000, -0.0000826300000000 ] - [ -0.0001445600000000, 0.0008363700000000, 0.0000284700000000 ] - [ 0.0001328400000000, -0.0007718400000000, 0.0000720600000000 ] - [ -0.0000332800000000, -0.0007073100000000, 0.0000312400000000 ] - [ 0.0001721300000000, -0.0005874200000000, 0.0000309300000000 ] - [ 0.0001223700000000, -0.0011637000000000, 0.0000143900000000 ] - [ 0.0001035200000000, -0.0010377700000000, 0.0004126200000000 ] - [ 0.0000131000000000, -0.0012553200000000, -0.0000367500000000 ] - [ 0.0003648200000000, -0.0007390300000000, -0.0000988300000000 ] - [ 0.0019578500000000, -0.0030956000000000, 0.0000799200000000 ] - [ 0.0007944600000000, -0.0038923000000000, 0.0005973200000000 ] - [ 0.0000334800000000, -0.0011652800000000, 0.0001227000000000 ] - [ 0.0004676600000000, -0.0010271900000000, -0.0003350300000000 ] - [ -0.0000028800000000, -0.0009893100000000, 0.0000354300000000 ] - [ -0.0003848200000000, -0.0008567700000000, 0.0001219100000000 ] - [ -0.0002212200000000, -0.0008590300000000, -0.0003876800000000 ] - [ -0.0002905200000000, -0.0014881000000000, 0.0000806100000000 ] - [ -0.0005833900000000, -0.0012061400000000, -0.0004939000000000 ] - [ 0.0002098200000000, -0.0007595000000000, 0.0003462700000000 ] - [ -0.0000779800000000, -0.0009955700000000, 0.0000191000000000 ] - [ -0.0004139000000000, -0.0006184600000000, 0.0002081300000000 ] - [ -0.0000807300000000, -0.0009527600000000, -0.0001161300000000 ] - [ -0.0002521700000000, -0.0005681500000000, -0.0002163100000000 ] - [ 0.0024187300000000, 0.0014035800000000, 0.0003285200000000 ] - [ 0.0005553200000000, -0.0010109500000000, 0.0005781600000000 ] - [ -0.0010214400000000, 0.0016665600000000, -0.0002352800000000 ] - [ -0.0014019800000000, 0.0037716200000000, 0.0002622400000000 ] - [ 0.0003392100000000, -0.0005448200000000, 0.0002707600000000 ] - [ -0.0000101600000000, -0.0009102200000000, -0.0000532600000000 ] - [ -0.0023483700000000, 0.0015426000000000, -0.0010013800000000 ] - [ 0.0005586300000000, -0.0007631500000000, -0.0002620500000000 ] - [ 0.0052555600000000, 0.0037385100000000, 0.0010343100000000 ] - [ 0.0004677100000000, 0.0019388400000000, -0.0003895300000000 ] - [ 0.0002111000000000, 0.0019585500000000, 0.0005112700000000 ] - [ 0.0000727100000000, -0.0019622600000000, 0.0001012700000000 ] - [ -0.0000993700000000, -0.0009971200000000, -0.0002152000000000 ] - [ -0.0010296100000000, 0.0035003100000000, -0.0008198600000000 ] - [ -0.0047396800000000, -0.0007330600000000, -0.0012647700000000 ] - [ -0.0031292400000000, -0.0034147300000000, -0.0005664500000000 ] - [ 0.0035613600000000, 0.0000802200000000, 0.0009217000000000 ] - [ -0.0027478800000000, -0.0033183000000000, -0.0008247800000000 ]- atom: 47 displacement: [ -0.0028145825136884, 0.0000000000000000, 0.0095957347438140 ] forces: - [ 0.0000010000000000, -0.0000276400000000, -0.0000071300000000 ] - [ -0.0000167100000000, -0.0000265300000000, -0.0000009500000000 ] - [ -0.0000028300000000, -0.0000202800000000, 0.0000242100000000 ] - [ -0.0000247500000000, 0.0000231500000000, 0.0000985500000000 ] - [ 0.0001746400000000, -0.0002281100000000, 0.0000750200000000 ] - [ -0.0002048800000000, -0.0002584300000000, -0.0000769800000000 ] - [ -0.0000058700000000, -0.0001896400000000, -0.0000655400000000 ] - [ -0.0005501700000000, -0.0012646700000000, -0.0000867200000000 ] - [ 0.0000611900000000, -0.0001469800000000, 0.0006793600000000 ] - [ 0.0004443700000000, 0.0002624900000000, -0.0019748100000000 ] - [ 0.0010125700000000, 0.0002491100000000, -0.0045603400000000 ] - [ -0.0000492700000000, 0.0001901700000000, 0.0011803600000000 ] - [ 0.0000719400000000, -0.0001008900000000, 0.0000091500000000 ] - [ 0.0001516900000000, -0.0000841300000000, -0.0000848800000000 ] - [ -0.0001900000000000, 0.0005282400000000, 0.0001091500000000 ] - [ 0.0001950100000000, -0.0004793300000000, 0.0001234200000000 ] - [ 0.0002694000000000, 0.0007000500000000, 0.0001215000000000 ] - [ -0.0000877400000000, -0.0000347300000000, 0.0000430400000000 ] - [ -0.0000451800000000, -0.0000296500000000, 0.0000965800000000 ] - [ -0.0000758700000000, -0.0000996500000000, -0.0000082700000000 ] - [ -0.0000887500000000, 0.0002050100000000, -0.0000661400000000 ] - [ -0.0018546800000000, 0.0010883300000000, 0.0010996100000000 ] - [ 0.0000820800000000, -0.0000861400000000, -0.0000238900000000 ] - [ -0.0008347700000000, 0.0000059500000000, -0.0004738600000000 ] - [ 0.0000615600000000, 0.0000550700000000, -0.0000452100000000 ] - [ -0.0001393700000000, -0.0000951100000000, -0.0000458300000000 ] - [ 0.0008544400000000, 0.0005800700000000, -0.0002155300000000 ] - [ 0.0006366100000000, 0.0000290600000000, 0.0036079000000000 ] - [ -0.0002416400000000, 0.0000812200000000, 0.0008235700000000 ] - [ -0.0006965600000000, -0.0003311000000000, -0.0008920400000000 ] - [ -0.0000879600000000, -0.0000083200000000, 0.0003400500000000 ] - [ 0.0000797400000000, -0.0000728900000000, -0.0002602400000000 ] - [ 0.0000121200000000, 0.0000493400000000, -0.0002013700000000 ] - [ 0.0008841800000000, 0.0003563100000000, 0.0045500100000000 ] - [ -0.0030806100000000, -0.0012106900000000, 0.0034976500000000 ] - [ 0.0000009300000000, 0.0001104500000000, -0.0001738300000000 ] - [ -0.0003704400000000, 0.0000517000000000, 0.0013654300000000 ] - [ 0.0000399100000000, -0.0000724300000000, 0.0000050200000000 ] - [ 0.0011243900000000, 0.0001111100000000, -0.0006067200000000 ] - [ 0.0000061400000000, -0.0000321800000000, -0.0000463000000000 ] - [ 0.0003052200000000, -0.0001845100000000, -0.0009473200000000 ] - [ -0.0003433700000000, -0.0001053900000000, 0.0010431500000000 ] - [ -0.0000440600000000, -0.0000755600000000, 0.0000315500000000 ] - [ 0.0000165800000000, -0.0000553200000000, 0.0000272000000000 ] - [ 0.0000556600000000, -0.0000697800000000, -0.0000214200000000 ] - [ 0.0001206900000000, 0.0001369700000000, -0.0002532000000000 ] - [ 0.0070458100000000, -0.0018765200000000, -0.0193483800000000 ] - [ -0.0003326000000000, 0.0002834400000000, 0.0009852600000000 ] - [ -0.0000576200000000, -0.0000717100000000, -0.0000094200000000 ] - [ 0.0000443800000000, 0.0000083000000000, 0.0000131600000000 ] - [ -0.0000387600000000, 0.0000053900000000, -0.0000164300000000 ] - [ -0.0003889600000000, -0.0001361000000000, 0.0011097500000000 ] - [ -0.0017661200000000, 0.0001341500000000, 0.0039702900000000 ] - [ 0.0002216200000000, -0.0000863500000000, -0.0004384200000000 ] - [ 0.0001412200000000, -0.0000869400000000, 0.0000836300000000 ] - [ 0.0000463700000000, 0.0001338900000000, 0.0000539800000000 ] - [ 0.0000409200000000, 0.0001279500000000, 0.0000152700000000 ] - [ -0.0000313900000000, 0.0001277400000000, -0.0000068000000000 ] - [ -0.0001450400000000, -0.0001363300000000, -0.0000376500000000 ] - [ 0.0000315600000000, 0.0000131000000000, -0.0000490200000000 ] - [ -0.0000570400000000, -0.0000857900000000, 0.0000973100000000 ] - [ 0.0000245400000000, -0.0001281900000000, 0.0000447800000000 ] - [ -0.0000554700000000, 0.0001365400000000, -0.0000170900000000 ] - [ 0.0000330000000000, -0.0001157100000000, 0.0000179900000000 ] - [ 0.0000273100000000, -0.0000281500000000, -0.0000256600000000 ] - [ -0.0000586800000000, 0.0004210000000000, -0.0007649700000000 ] - [ -0.0001801300000000, 0.0001593700000000, -0.0000948000000000 ] - [ 0.0001200700000000, 0.0000400300000000, 0.0000559400000000 ] - [ 0.0021985500000000, -0.0029068000000000, 0.0002806800000000 ] - [ -0.0014114700000000, 0.0038242400000000, -0.0008097800000000 ] - [ 0.0000649800000000, 0.0000671500000000, 0.0001605800000000 ] - [ -0.0004272900000000, 0.0003935800000000, 0.0004320800000000 ] - [ 0.0001256300000000, 0.0002228500000000, 0.0000765700000000 ] - [ -0.0001166600000000, 0.0000405200000000, -0.0000419800000000 ] - [ -0.0000944600000000, 0.0000098000000000, -0.0001115800000000 ] - [ 0.0004813900000000, 0.0009258500000000, 0.0001089100000000 ] - [ -0.0005670000000000, -0.0009119100000000, -0.0003176000000000 ] - [ 0.0001019900000000, 0.0000065700000000, 0.0001001400000000 ] - [ 0.0000364300000000, 0.0000323100000000, 0.0000267400000000 ] - [ 0.0002363400000000, 0.0001183500000000, -0.0000753600000000 ] - [ 0.0000041900000000, 0.0000321600000000, -0.0001333600000000 ] - [ 0.0001038100000000, 0.0001169100000000, 0.0002839500000000 ] - [ -0.0008704200000000, -0.0000338200000000, 0.0026681000000000 ] - [ -0.0010722300000000, 0.0011348700000000, -0.0010636400000000 ] - [ 0.0001132800000000, 0.0001260200000000, -0.0005738600000000 ] - [ -0.0012748000000000, 0.0010777300000000, 0.0002725900000000 ] - [ 0.0000157100000000, 0.0000115600000000, 0.0001516400000000 ] - [ -0.0000764000000000, -0.0001037100000000, -0.0002276900000000 ] - [ -0.0001492700000000, -0.0000012700000000, 0.0021535200000000 ] - [ 0.0009938300000000, -0.0008184900000000, -0.0003888600000000 ] - [ -0.0016874800000000, 0.0000520400000000, 0.0027433500000000 ] - [ 0.0003049100000000, 0.0001356500000000, -0.0000560700000000 ] - [ -0.0005720700000000, -0.0003574500000000, -0.0003842000000000 ] - [ -0.0001067900000000, -0.0002338900000000, 0.0008284700000000 ] - [ 0.0000361200000000, -0.0000025900000000, -0.0003945600000000 ] - [ 0.0013265100000000, -0.0014200400000000, 0.0014621200000000 ] - [ 0.0005907100000000, 0.0000135100000000, -0.0017054900000000 ] - [ -0.0049522000000000, -0.0041355000000000, 0.0003219000000000 ] - [ 0.0002047400000000, 0.0000389900000000, -0.0019302400000000 ] - [ 0.0041479100000000, 0.0042819900000000, 0.0026912900000000 ]- atom: 47 displacement: [ 0.0028145825136884, 0.0000000000000000, -0.0095957347438140 ] forces: - [ 0.0000031900000000, -0.0000059300000000, -0.0000097900000000 ] - [ 0.0000135600000000, 0.0000710000000000, 0.0000183000000000 ] - [ 0.0000057600000000, -0.0000172800000000, -0.0000406100000000 ] - [ 0.0000215300000000, 0.0000192200000000, -0.0000821500000000 ] - [ 0.0002391400000000, -0.0001887100000000, 0.0000866500000000 ] - [ -0.0002111700000000, -0.0001590500000000, -0.0000762300000000 ] - [ -0.0004133900000000, 0.0006017800000000, -0.0000977700000000 ] - [ 0.0009773500000000, 0.0016851700000000, 0.0002403400000000 ] - [ 0.0003481700000000, -0.0002747600000000, -0.0005183200000000 ] - [ -0.0008644900000000, -0.0006835000000000, 0.0018206100000000 ] - [ -0.0014382500000000, 0.0001634000000000, 0.0043958500000000 ] - [ 0.0004729000000000, 0.0002285000000000, -0.0010263900000000 ] - [ 0.0000859900000000, -0.0000247900000000, 0.0000072400000000 ] - [ -0.0000438500000000, 0.0000848200000000, -0.0000042300000000 ] - [ 0.0002085300000000, -0.0005179200000000, -0.0000155500000000 ] - [ -0.0000988500000000, 0.0005291400000000, -0.0001413400000000 ] - [ -0.0004220600000000, -0.0005740600000000, -0.0001341000000000 ] - [ -0.0000226400000000, 0.0000335500000000, 0.0000444400000000 ] - [ 0.0000026100000000, 0.0000289500000000, 0.0001129000000000 ] - [ -0.0000812800000000, -0.0000260600000000, -0.0000075500000000 ] - [ 0.0002441500000000, -0.0000792400000000, 0.0000829700000000 ] - [ 0.0019644700000000, -0.0011983300000000, -0.0010458700000000 ] - [ -0.0000413200000000, 0.0000872400000000, -0.0001847400000000 ] - [ 0.0008079300000000, -0.0000367000000000, 0.0003481200000000 ] - [ -0.0000752000000000, -0.0000415200000000, -0.0000504300000000 ] - [ 0.0000461900000000, 0.0001477000000000, 0.0000683200000000 ] - [ -0.0009669200000000, -0.0006471200000000, 0.0002502200000000 ] - [ -0.0005334700000000, -0.0001355100000000, -0.0035956000000000 ] - [ 0.0004142500000000, -0.0002048000000000, -0.0008020900000000 ] - [ 0.0007934400000000, 0.0003529000000000, 0.0007778800000000 ] - [ 0.0000998700000000, 0.0000185700000000, -0.0002440600000000 ] - [ 0.0000123700000000, 0.0001221200000000, 0.0002372800000000 ] - [ -0.0001682700000000, 0.0000801300000000, 0.0001859600000000 ] - [ -0.0008914700000000, -0.0002462400000000, -0.0045695100000000 ] - [ 0.0030690900000000, 0.0013133300000000, -0.0031457000000000 ] - [ -0.0001593700000000, -0.0002342200000000, 0.0001570000000000 ] - [ 0.0005242400000000, 0.0000861100000000, -0.0013483500000000 ] - [ 0.0000524100000000, 0.0000214600000000, -0.0000270900000000 ] - [ -0.0011143300000000, -0.0000871200000000, 0.0004107200000000 ] - [ -0.0000209800000000, 0.0000179900000000, -0.0000489200000000 ] - [ -0.0003229400000000, 0.0001958100000000, 0.0008519100000000 ] - [ 0.0002506200000000, 0.0001461600000000, -0.0010208800000000 ] - [ -0.0000494100000000, 0.0000229300000000, -0.0000096200000000 ] - [ -0.0000030300000000, 0.0000436700000000, 0.0000675100000000 ] - [ 0.0000359000000000, -0.0001268500000000, 0.0001095500000000 ] - [ -0.0000327500000000, 0.0000801400000000, 0.0003422000000000 ] - [ -0.0070966300000000, 0.0019985800000000, 0.0193394400000000 ] - [ 0.0002362900000000, -0.0000765800000000, -0.0010804200000000 ] - [ -0.0000353300000000, -0.0001255900000000, -0.0000792600000000 ] - [ 0.0000758100000000, -0.0000304200000000, -0.0001243700000000 ] - [ -0.0000811800000000, -0.0000268800000000, 0.0001275500000000 ] - [ 0.0002836900000000, -0.0000558800000000, -0.0011461900000000 ] - [ 0.0016220500000000, 0.0000592200000000, -0.0039682800000000 ] - [ -0.0001245500000000, -0.0001142300000000, 0.0004718300000000 ] - [ -0.0000473200000000, -0.0001130000000000, 0.0000079000000000 ] - [ 0.0000434400000000, 0.0000671200000000, 0.0000389300000000 ] - [ 0.0000608500000000, 0.0000623500000000, 0.0000177900000000 ] - [ -0.0000596700000000, 0.0000736600000000, -0.0000863100000000 ] - [ 0.0000554100000000, -0.0000637900000000, -0.0000538000000000 ] - [ 0.0000958300000000, -0.0000231300000000, -0.0000860200000000 ] - [ -0.0000698900000000, 0.0000756100000000, 0.0000383100000000 ] - [ -0.0001258800000000, -0.0000591000000000, -0.0000789600000000 ] - [ -0.0000447300000000, 0.0000533300000000, -0.0000166700000000 ] - [ 0.0000688200000000, -0.0000715800000000, 0.0000166200000000 ] - [ -0.0000398700000000, 0.0000286900000000, -0.0000338000000000 ] - [ -0.0001452500000000, -0.0003788100000000, 0.0005369100000000 ] - [ -0.0000779200000000, 0.0001553600000000, -0.0000703200000000 ] - [ 0.0001377600000000, -0.0000195400000000, 0.0000340400000000 ] - [ -0.0021366600000000, 0.0028364500000000, -0.0000238500000000 ] - [ 0.0011635800000000, -0.0041696200000000, 0.0006529000000000 ] - [ -0.0000172400000000, -0.0000144300000000, 0.0000951200000000 ] - [ 0.0001718000000000, -0.0004163200000000, -0.0005271400000000 ] - [ 0.0001322100000000, 0.0000908100000000, 0.0000875700000000 ] - [ -0.0001422700000000, -0.0000199800000000, -0.0000489700000000 ] - [ -0.0001105100000000, -0.0000535200000000, -0.0001244900000000 ] - [ -0.0002263600000000, -0.0012423500000000, 0.0000561400000000 ] - [ 0.0005182400000000, 0.0008617400000000, 0.0000614300000000 ] - [ 0.0001029100000000, -0.0000503300000000, 0.0001352400000000 ] - [ -0.0000234100000000, -0.0000308800000000, 0.0000335700000000 ] - [ 0.0000198100000000, -0.0001370300000000, 0.0001689100000000 ] - [ -0.0000517400000000, 0.0000200100000000, -0.0001230400000000 ] - [ 0.0001005200000000, -0.0000715800000000, -0.0000506300000000 ] - [ 0.0008639400000000, 0.0000309100000000, -0.0027307400000000 ] - [ 0.0008655800000000, -0.0010881400000000, 0.0008301200000000 ] - [ -0.0003723400000000, 0.0001919200000000, 0.0004099800000000 ] - [ 0.0015349700000000, -0.0010598400000000, -0.0001832000000000 ] - [ 0.0000326200000000, -0.0000626000000000, 0.0001047400000000 ] - [ -0.0001798100000000, -0.0002067200000000, 0.0000642400000000 ] - [ 0.0002038200000000, 0.0000545600000000, -0.0018988700000000 ] - [ -0.0012555400000000, 0.0008032000000000, 0.0002967300000000 ] - [ 0.0019559900000000, 0.0002720000000000, -0.0025816300000000 ] - [ -0.0005563600000000, -0.0001175100000000, -0.0000305300000000 ] - [ 0.0003743400000000, 0.0003119900000000, 0.0001471700000000 ] - [ 0.0003606100000000, -0.0000689700000000, -0.0006640500000000 ] - [ -0.0000836200000000, -0.0000489200000000, 0.0001389400000000 ] - [ -0.0011173700000000, 0.0013742200000000, -0.0012222600000000 ] - [ -0.0006152300000000, -0.0000520000000000, 0.0017560800000000 ] - [ 0.0052367200000000, 0.0041440300000000, -0.0002241800000000 ] - [ -0.0002785800000000, 0.0000422500000000, 0.0016700900000000 ] - [ -0.0039205500000000, -0.0042108500000000, -0.0024493900000000 ]- atom: 50 displacement: [ 0.0099999418370919, 0.0000000000000000, 0.0000341065210551 ] forces: - [ -0.0005530500000000, 0.0036320600000000, -0.0030435800000000 ] - [ -0.0005530500000000, -0.0036320600000000, -0.0030435800000000 ] - [ -0.0000049200000000, -0.0000271400000000, -0.0000112100000000 ] - [ -0.0000049200000000, 0.0000271400000000, -0.0000112100000000 ] - [ 0.0022023700000000, -0.0007542500000000, 0.0007254800000000 ] - [ 0.0007741000000000, 0.0018918600000000, -0.0009436500000000 ] - [ 0.0007741000000000, -0.0018918600000000, -0.0009436500000000 ] - [ 0.0022023700000000, 0.0007542500000000, 0.0007254800000000 ] - [ 0.0000578000000000, -0.0000180200000000, 0.0000403800000000 ] - [ -0.0003360100000000, -0.0003995000000000, -0.0000962100000000 ] - [ -0.0003360100000000, 0.0003995000000000, -0.0000962100000000 ] - [ 0.0000578000000000, 0.0000180200000000, 0.0000403800000000 ] - [ 0.0004472400000000, -0.0003780100000000, 0.0006700100000000 ] - [ -0.0015522100000000, 0.0000000000000000, -0.0007008200000000 ] - [ 0.0002928300000000, 0.0003366700000000, 0.0000913900000000 ] - [ 0.0004879300000000, 0.0005122400000000, 0.0001922500000000 ] - [ 0.0000468800000000, -0.0005881800000000, -0.0003203900000000 ] - [ -0.0010641500000000, 0.0000000000000000, -0.0002398500000000 ] - [ -0.0016217100000000, 0.0000000000000000, -0.0003640000000000 ] - [ 0.0000468800000000, 0.0005881800000000, -0.0003203900000000 ] - [ 0.0004472400000000, 0.0003780100000000, 0.0006700100000000 ] - [ 0.0004879300000000, -0.0005122400000000, 0.0001922500000000 ] - [ -0.0011347000000000, 0.0000000000000000, -0.0001706000000000 ] - [ 0.0003864900000000, 0.0005786800000000, 0.0000459400000000 ] - [ 0.0003864900000000, -0.0005786800000000, 0.0000459400000000 ] - [ 0.0002669800000000, -0.0002699500000000, 0.0000992100000000 ] - [ 0.0002669800000000, 0.0002699500000000, 0.0000992100000000 ] - [ 0.0002928300000000, -0.0003366700000000, 0.0000913900000000 ] - [ -0.0000230100000000, -0.0001588400000000, -0.0000153900000000 ] - [ 0.0001389100000000, 0.0000000000000000, -0.0000263800000000 ] - [ -0.0006678700000000, 0.0003277200000000, 0.0000287100000000 ] - [ -0.0005634200000000, 0.0005729600000000, -0.0003851100000000 ] - [ -0.0001894700000000, -0.0000473500000000, -0.0000387300000000 ] - [ 0.0000112900000000, 0.0000000000000000, 0.0000620300000000 ] - [ 0.0000477900000000, 0.0000000000000000, 0.0001154400000000 ] - [ -0.0001894700000000, 0.0000473500000000, -0.0000387300000000 ] - [ -0.0000230100000000, 0.0001588400000000, -0.0000153900000000 ] - [ -0.0005634200000000, -0.0005729600000000, -0.0003851100000000 ] - [ 0.0000978200000000, 0.0000000000000000, -0.0000827400000000 ] - [ -0.0007116900000000, 0.0004520100000000, -0.0004973700000000 ] - [ -0.0007116900000000, -0.0004520100000000, -0.0004973700000000 ] - [ -0.0006722600000000, -0.0003792100000000, 0.0000669200000000 ] - [ -0.0006722600000000, 0.0003792100000000, 0.0000669200000000 ] - [ -0.0006678700000000, -0.0003277200000000, 0.0000287100000000 ] - [ -0.0005286900000000, -0.0001435100000000, -0.0004431300000000 ] - [ -0.0005286900000000, 0.0001435100000000, -0.0004431300000000 ] - [ -0.0000380700000000, 0.0001310000000000, -0.0000250300000000 ] - [ -0.0003624300000000, 0.0000602800000000, -0.0001214900000000 ] - [ -0.0003624300000000, -0.0000602800000000, -0.0001214900000000 ] - [ -0.0180529200000000, 0.0000000000000000, 0.0080405600000000 ] - [ 0.0003676400000000, 0.0000000000000000, -0.0034505900000000 ] - [ -0.0001626900000000, -0.0000573800000000, -0.0000294100000000 ] - [ -0.0001626900000000, 0.0000573800000000, -0.0000294100000000 ] - [ -0.0000380700000000, -0.0001310000000000, -0.0000250300000000 ] - [ 0.0003811900000000, -0.0001954200000000, 0.0001541300000000 ] - [ 0.0003811900000000, 0.0001954200000000, 0.0001541300000000 ] - [ 0.0005338100000000, 0.0001910500000000, 0.0001212800000000 ] - [ 0.0002673900000000, 0.0000069100000000, 0.0000340500000000 ] - [ 0.0002673900000000, -0.0000069100000000, 0.0000340500000000 ] - [ 0.0001007100000000, 0.0000000000000000, -0.0000189100000000 ] - [ -0.0000077100000000, 0.0000000000000000, 0.0000562900000000 ] - [ 0.0004146500000000, -0.0000139900000000, 0.0001289500000000 ] - [ 0.0004146500000000, 0.0000139900000000, 0.0001289500000000 ] - [ 0.0005338100000000, -0.0001910500000000, 0.0001212800000000 ] - [ 0.0011711000000000, 0.0000000000000000, -0.0002064200000000 ] - [ 0.0009362800000000, -0.0003000600000000, -0.0008160500000000 ] - [ 0.0003076800000000, -0.0008797700000000, 0.0000752400000000 ] - [ 0.0016271200000000, -0.0006871800000000, 0.0001413600000000 ] - [ 0.0012725400000000, 0.0020295400000000, 0.0009355600000000 ] - [ 0.0003076800000000, 0.0008797700000000, 0.0000752400000000 ] - [ 0.0012725400000000, -0.0020295400000000, 0.0009355600000000 ] - [ 0.0008418800000000, 0.0010350600000000, 0.0006687000000000 ] - [ 0.0015680300000000, 0.0019752900000000, 0.0005193700000000 ] - [ 0.0008418800000000, -0.0010350600000000, 0.0006687000000000 ] - [ 0.0009362800000000, 0.0003000600000000, -0.0008160500000000 ] - [ 0.0015680300000000, -0.0019752900000000, 0.0005193700000000 ] - [ 0.0006727700000000, -0.0010416900000000, -0.0001508000000000 ] - [ 0.0014836800000000, 0.0009608300000000, 0.0003158300000000 ] - [ 0.0005946800000000, 0.0000000000000000, 0.0007739500000000 ] - [ 0.0016271200000000, 0.0006871800000000, 0.0001413600000000 ] - [ 0.0006727700000000, 0.0010416900000000, -0.0001508000000000 ] - [ 0.0014836800000000, -0.0009608300000000, 0.0003158300000000 ] - [ -0.0000378200000000, 0.0000000000000000, -0.0000374700000000 ] - [ -0.0000770400000000, 0.0000942400000000, -0.0001321700000000 ] - [ -0.0000561300000000, -0.0001530800000000, -0.0000896600000000 ] - [ 0.0001287100000000, 0.0001124000000000, 0.0000766800000000 ] - [ -0.0000501100000000, 0.0002649500000000, 0.0001244000000000 ] - [ -0.0000561300000000, 0.0001530800000000, -0.0000896600000000 ] - [ -0.0000501100000000, -0.0002649500000000, 0.0001244000000000 ] - [ -0.0001021100000000, 0.0000695300000000, -0.0000304700000000 ] - [ 0.0001227000000000, 0.0005182700000000, 0.0001464000000000 ] - [ -0.0001021100000000, -0.0000695300000000, -0.0000304700000000 ] - [ -0.0000770400000000, -0.0000942400000000, -0.0001321700000000 ] - [ 0.0001227000000000, -0.0005182700000000, 0.0001464000000000 ] - [ -0.0000632300000000, -0.0002629600000000, -0.0001988600000000 ] - [ 0.0001232600000000, 0.0000521200000000, 0.0000955500000000 ] - [ -0.0000229300000000, 0.0000000000000000, 0.0000313500000000 ] - [ 0.0001287100000000, -0.0001124000000000, 0.0000766800000000 ] - [ -0.0000632300000000, 0.0002629600000000, -0.0001988600000000 ] - [ 0.0001232600000000, -0.0000521200000000, 0.0000955500000000 ]- atom: 50 displacement: [ -0.0099999418370919, 0.0000000000000000, -0.0000341065210551 ] forces: - [ 0.0006077300000000, -0.0036761400000000, 0.0030793600000000 ] - [ 0.0006077300000000, 0.0036761400000000, 0.0030793600000000 ] - [ 0.0000050400000000, -0.0000180000000000, 0.0000109300000000 ] - [ 0.0000050400000000, 0.0000180000000000, 0.0000109300000000 ] - [ -0.0017819900000000, 0.0003716800000000, -0.0005852100000000 ] - [ -0.0011909700000000, -0.0023209900000000, 0.0007783900000000 ] - [ -0.0011909700000000, 0.0023209900000000, 0.0007783900000000 ] - [ -0.0017819900000000, -0.0003716800000000, -0.0005852100000000 ] - [ 0.0003319900000000, -0.0003838500000000, 0.0001096600000000 ] - [ -0.0000473900000000, -0.0000010900000000, -0.0000528900000000 ] - [ -0.0000473900000000, 0.0000010900000000, -0.0000528900000000 ] - [ 0.0003319900000000, 0.0003838500000000, 0.0001096600000000 ] - [ -0.0002943500000000, 0.0002326100000000, -0.0006687300000000 ] - [ 0.0016553100000000, 0.0000000000000000, 0.0006061300000000 ] - [ -0.0002837900000000, -0.0003235200000000, 0.0000041500000000 ] - [ -0.0003960200000000, -0.0004572900000000, -0.0002163400000000 ] - [ -0.0001828000000000, 0.0007406900000000, 0.0002765100000000 ] - [ 0.0009477200000000, 0.0000000000000000, 0.0003299100000000 ] - [ 0.0015790000000000, 0.0000000000000000, 0.0005722000000000 ] - [ -0.0001828000000000, -0.0007406900000000, 0.0002765100000000 ] - [ -0.0002943500000000, -0.0002326100000000, -0.0006687300000000 ] - [ -0.0003960200000000, 0.0004572900000000, -0.0002163400000000 ] - [ 0.0011703900000000, 0.0000000000000000, -0.0000319800000000 ] - [ -0.0003960100000000, -0.0005931100000000, -0.0001414700000000 ] - [ -0.0003960100000000, 0.0005931100000000, -0.0001414700000000 ] - [ -0.0003551900000000, 0.0003179900000000, -0.0000732600000000 ] - [ -0.0003551900000000, -0.0003179900000000, -0.0000732600000000 ] - [ -0.0002837900000000, 0.0003235200000000, 0.0000041500000000 ] - [ 0.0001788200000000, 0.0000356100000000, 0.0000332700000000 ] - [ -0.0000270200000000, 0.0000000000000000, -0.0000660200000000 ] - [ 0.0006756200000000, -0.0003117900000000, 0.0000632800000000 ] - [ 0.0006507900000000, -0.0005241100000000, 0.0003636100000000 ] - [ 0.0000344700000000, 0.0001703400000000, 0.0000210200000000 ] - [ -0.0001243800000000, 0.0000000000000000, 0.0000299300000000 ] - [ -0.0000892800000000, 0.0000000000000000, 0.0000887300000000 ] - [ 0.0000344700000000, -0.0001703400000000, 0.0000210200000000 ] - [ 0.0001788200000000, -0.0000356100000000, 0.0000332700000000 ] - [ 0.0006507900000000, 0.0005241100000000, 0.0003636100000000 ] - [ -0.0000560000000000, 0.0000000000000000, -0.0001211700000000 ] - [ 0.0007000100000000, -0.0004599700000000, 0.0003966500000000 ] - [ 0.0007000100000000, 0.0004599700000000, 0.0003966500000000 ] - [ 0.0005807400000000, 0.0004289300000000, -0.0000378500000000 ] - [ 0.0005807400000000, -0.0004289300000000, -0.0000378500000000 ] - [ 0.0006756200000000, 0.0003117900000000, 0.0000632800000000 ] - [ 0.0006291100000000, -0.0000549000000000, 0.0005198300000000 ] - [ 0.0006291100000000, 0.0000549000000000, 0.0005198300000000 ] - [ 0.0001501100000000, 0.0000581900000000, 0.0000583300000000 ] - [ 0.0002588100000000, 0.0001398200000000, 0.0000372600000000 ] - [ 0.0002588100000000, -0.0001398200000000, 0.0000372600000000 ] - [ 0.0180034600000000, 0.0000000000000000, -0.0080382300000000 ] - [ -0.0004676000000000, 0.0000000000000000, 0.0035062000000000 ] - [ 0.0000502200000000, -0.0001309200000000, -0.0000049500000000 ] - [ 0.0000502200000000, 0.0001309200000000, -0.0000049500000000 ] - [ 0.0001501100000000, -0.0000581900000000, 0.0000583300000000 ] - [ -0.0002769600000000, -0.0000066100000000, -0.0000703800000000 ] - [ -0.0002769600000000, 0.0000066100000000, -0.0000703800000000 ] - [ -0.0004198300000000, -0.0000017200000000, -0.0000870100000000 ] - [ -0.0003689900000000, 0.0001956500000000, -0.0001180600000000 ] - [ -0.0003689900000000, -0.0001956500000000, -0.0001180600000000 ] - [ 0.0000109200000000, 0.0000000000000000, -0.0000651200000000 ] - [ -0.0001039700000000, 0.0000000000000000, 0.0000275100000000 ] - [ -0.0005249500000000, -0.0001734200000000, -0.0001631700000000 ] - [ -0.0005249500000000, 0.0001734200000000, -0.0001631700000000 ] - [ -0.0004198300000000, 0.0000017200000000, -0.0000870100000000 ] - [ -0.0011615100000000, 0.0000000000000000, 0.0001393000000000 ] - [ -0.0011369800000000, 0.0003436100000000, 0.0005675600000000 ] - [ -0.0005719000000000, 0.0011870300000000, -0.0002397700000000 ] - [ -0.0013760200000000, 0.0007138900000000, -0.0000382700000000 ] - [ -0.0012106100000000, -0.0020624400000000, -0.0006706500000000 ] - [ -0.0005719000000000, -0.0011870300000000, -0.0002397700000000 ] - [ -0.0012106100000000, 0.0020624400000000, -0.0006706500000000 ] - [ -0.0010725500000000, -0.0010300900000000, -0.0007456100000000 ] - [ -0.0013207600000000, -0.0016797000000000, -0.0003551200000000 ] - [ -0.0010725500000000, 0.0010300900000000, -0.0007456100000000 ] - [ -0.0011369800000000, -0.0003436100000000, 0.0005675600000000 ] - [ -0.0013207600000000, 0.0016797000000000, -0.0003551200000000 ] - [ -0.0007140200000000, 0.0009783700000000, -0.0001036400000000 ] - [ -0.0013109900000000, -0.0010288600000000, -0.0000863900000000 ] - [ -0.0005833900000000, 0.0000000000000000, -0.0007247500000000 ] - [ -0.0013760200000000, -0.0007138900000000, -0.0000382700000000 ] - [ -0.0007140200000000, -0.0009783700000000, -0.0001036400000000 ] - [ -0.0013109900000000, 0.0010288600000000, -0.0000863900000000 ] - [ 0.0000272700000000, 0.0000000000000000, -0.0000225800000000 ] - [ -0.0001225500000000, -0.0000520800000000, -0.0000968100000000 ] - [ -0.0001921200000000, 0.0004487400000000, -0.0000724100000000 ] - [ 0.0001185800000000, -0.0000875300000000, 0.0000198100000000 ] - [ 0.0001005600000000, -0.0003156500000000, 0.0001308800000000 ] - [ -0.0001921200000000, -0.0004487400000000, -0.0000724100000000 ] - [ 0.0001005600000000, 0.0003156500000000, 0.0001308800000000 ] - [ -0.0001476000000000, -0.0000923200000000, -0.0000636600000000 ] - [ 0.0001243200000000, -0.0002195400000000, 0.0000171900000000 ] - [ -0.0001476000000000, 0.0000923200000000, -0.0000636600000000 ] - [ -0.0001225500000000, 0.0000520800000000, -0.0000968100000000 ] - [ 0.0001243200000000, 0.0002195400000000, 0.0000171900000000 ] - [ 0.0000137600000000, 0.0002114700000000, -0.0000585600000000 ] - [ 0.0000772200000000, -0.0000933800000000, 0.0001332900000000 ] - [ 0.0000339800000000, 0.0000000000000000, 0.0000284300000000 ] - [ 0.0001185800000000, 0.0000875300000000, 0.0000198100000000 ] - [ 0.0000137600000000, -0.0002114700000000, -0.0000585600000000 ] - [ 0.0000772200000000, 0.0000933800000000, 0.0001332900000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018974800000000, 0.0081278500000000, -0.0059176700000000 ] - [ -0.0020507000000000, 0.0084640300000000, 0.0064583100000000 ] - [ 0.0000007400000000, -0.0002931500000000, -0.0000085600000000 ] - [ -0.0000012200000000, -0.0002499000000000, 0.0000087400000000 ] - [ 0.0022039200000000, 0.0023189300000000, -0.0028974000000000 ] - [ -0.0006112900000000, 0.0021356000000000, -0.0035425100000000 ] - [ 0.0001309000000000, 0.0025779000000000, 0.0034090800000000 ] - [ -0.0017416600000000, 0.0027624000000000, 0.0031137200000000 ] - [ 0.0003695100000000, -0.0010393800000000, 0.0001352800000000 ] - [ -0.0003636700000000, -0.0010178600000000, -0.0001274700000000 ] - [ -0.0000406200000000, -0.0006019300000000, -0.0000264500000000 ] - [ 0.0000342100000000, -0.0006223400000000, 0.0000186900000000 ] - [ -0.0010549000000000, 0.0015873700000000, 0.0008958100000000 ] - [ 0.0000527800000000, 0.0020095900000000, -0.0000482600000000 ] - [ 0.0000219300000000, -0.0012461200000000, 0.0000566800000000 ] - [ 0.0002477400000000, -0.0010378700000000, 0.0000888000000000 ] - [ -0.0005009400000000, 0.0016413400000000, -0.0010647200000000 ] - [ -0.0000481000000000, 0.0028965100000000, 0.0000470700000000 ] - [ -0.0000161700000000, 0.0021582100000000, 0.0001017400000000 ] - [ 0.0003866500000000, 0.0014916200000000, 0.0010337600000000 ] - [ 0.0011837900000000, 0.0017413800000000, -0.0009287600000000 ] - [ -0.0001426800000000, -0.0010938300000000, -0.0001055800000000 ] - [ 0.0000137400000000, 0.0029572300000000, -0.0001053000000000 ] - [ -0.0000702400000000, -0.0012922000000000, -0.0000106700000000 ] - [ 0.0000433600000000, -0.0012754600000000, -0.0000871500000000 ] - [ -0.0001235700000000, -0.0011203700000000, 0.0000635300000000 ] - [ 0.0000176400000000, -0.0011777400000000, -0.0000445800000000 ] - [ 0.0000050400000000, -0.0012618800000000, 0.0000393700000000 ] - [ 0.0000182700000000, -0.0011505300000000, 0.0000067300000000 ] - [ 0.0000485200000000, -0.0010668200000000, -0.0000474800000000 ] - [ 0.0008033300000000, -0.0001119900000000, 0.0002195500000000 ] - [ 0.0007616900000000, -0.0001237700000000, 0.0002080900000000 ] - [ -0.0001459100000000, -0.0010443200000000, -0.0000163500000000 ] - [ -0.0000484200000000, -0.0010600700000000, 0.0000472700000000 ] - [ -0.0000133000000000, -0.0010901200000000, 0.0001050000000000 ] - [ -0.0000026700000000, -0.0011664200000000, 0.0000036100000000 ] - [ 0.0001310900000000, -0.0010284800000000, 0.0000059900000000 ] - [ -0.0006579400000000, -0.0001817600000000, -0.0002310400000000 ] - [ 0.0000129100000000, -0.0010901800000000, -0.0001046300000000 ] - [ 0.0007492900000000, 0.0000448900000000, 0.0000253600000000 ] - [ -0.0007738800000000, 0.0000662200000000, -0.0001251400000000 ] - [ -0.0006449700000000, -0.0002357400000000, -0.0002702000000000 ] - [ 0.0005422000000000, -0.0002901400000000, 0.0002919400000000 ] - [ -0.0007772900000000, -0.0001294800000000, -0.0001194200000000 ] - [ 0.0000930700000000, 0.0012693800000000, -0.0004353200000000 ] - [ 0.0000070200000000, 0.0014656900000000, 0.0005130400000000 ] - [ 0.0000883200000000, 0.0007635000000000, 0.0000526700000000 ] - [ -0.0001218400000000, 0.0005352500000000, -0.0001364900000000 ] - [ 0.0000201900000000, 0.0003262800000000, 0.0000532100000000 ] - [ 0.0002127900000000, -0.0373695500000000, -0.0005745300000000 ] - [ -0.0000553900000000, -0.0016897900000000, 0.0000388100000000 ] - [ -0.0000271600000000, 0.0006050200000000, 0.0000112900000000 ] - [ -0.0000794400000000, 0.0007954900000000, -0.0000459400000000 ] - [ 0.0000190200000000, 0.0005743100000000, -0.0000174700000000 ] - [ -0.0000461000000000, 0.0003501700000000, 0.0000198400000000 ] - [ 0.0001452900000000, 0.0005515200000000, 0.0000641900000000 ] - [ 0.0000013500000000, -0.0007692800000000, 0.0000213900000000 ] - [ -0.0000945900000000, 0.0005499100000000, -0.0000868100000000 ] - [ -0.0000058600000000, 0.0003484900000000, 0.0000024600000000 ] - [ 0.0000559200000000, 0.0005121300000000, -0.0000433700000000 ] - [ -0.0000559900000000, 0.0005151800000000, 0.0000430500000000 ] - [ -0.0000888000000000, -0.0009371300000000, -0.0001125100000000 ] - [ -0.0000188000000000, -0.0007466400000000, 0.0000784400000000 ] - [ 0.0001041500000000, -0.0009595500000000, 0.0000146400000000 ] - [ -0.0000072300000000, -0.0028908500000000, -0.0000249600000000 ] - [ 0.0029051900000000, -0.0018289900000000, 0.0011417900000000 ] - [ -0.0022502300000000, 0.0022678600000000, -0.0003223400000000 ] - [ 0.0032197300000000, -0.0018876800000000, 0.0007686800000000 ] - [ 0.0009136200000000, 0.0017294500000000, 0.0008274700000000 ] - [ 0.0019955100000000, 0.0019639200000000, 0.0001530300000000 ] - [ -0.0008612200000000, 0.0017687700000000, -0.0005635000000000 ] - [ 0.0012521800000000, -0.0008004300000000, -0.0005980000000000 ] - [ 0.0020841000000000, 0.0022852800000000, 0.0008706300000000 ] - [ -0.0015224100000000, -0.0007740900000000, 0.0004984300000000 ] - [ -0.0030962000000000, -0.0018614100000000, -0.0013845700000000 ] - [ -0.0018279800000000, 0.0019824900000000, -0.0007087800000000 ] - [ -0.0014680700000000, 0.0022755400000000, -0.0001405000000000 ] - [ 0.0011292200000000, -0.0006401700000000, 0.0011989200000000 ] - [ 0.0000042800000000, -0.0030373000000000, 0.0000360100000000 ] - [ -0.0029689500000000, -0.0019212000000000, -0.0006925400000000 ] - [ 0.0014090700000000, 0.0023091400000000, -0.0001121900000000 ] - [ -0.0009123200000000, -0.0006015600000000, -0.0009637300000000 ] - [ -0.0000048200000000, 0.0007565700000000, -0.0000298700000000 ] - [ -0.0001868800000000, 0.0007086900000000, -0.0002800500000000 ] - [ -0.0004489000000000, 0.0010123700000000, -0.0002095000000000 ] - [ -0.0000575600000000, 0.0007072800000000, 0.0001633200000000 ] - [ 0.0003977500000000, 0.0006507200000000, 0.0001182600000000 ] - [ 0.0001923800000000, 0.0007037700000000, 0.0000440900000000 ] - [ -0.0003488800000000, 0.0007031700000000, 0.0001389800000000 ] - [ -0.0003084300000000, 0.0006848700000000, 0.0000535900000000 ] - [ 0.0005267700000000, 0.0009519900000000, 0.0002496800000000 ] - [ 0.0000560800000000, 0.0007101900000000, -0.0001493400000000 ] - [ -0.0000164700000000, 0.0006685100000000, 0.0000514300000000 ] - [ -0.0002700500000000, 0.0006425000000000, -0.0000843600000000 ] - [ -0.0003544800000000, 0.0006455100000000, -0.0001614300000000 ] - [ 0.0000279800000000, 0.0006845800000000, -0.0000704400000000 ] - [ 0.0000048600000000, 0.0007527300000000, 0.0000299000000000 ] - [ 0.0003115500000000, 0.0006828100000000, -0.0000687800000000 ] - [ 0.0003055300000000, 0.0006978300000000, -0.0000952800000000 ] - [ 0.0001755000000000, 0.0007255300000000, 0.0003005700000000 ]- atom: 50 displacement: [ -0.0028145825136884, 0.0000000000000000, 0.0095957347438140 ] forces: - [ -0.0030099700000000, -0.0138830400000000, 0.0099705600000000 ] - [ -0.0030099700000000, 0.0138830400000000, 0.0099705600000000 ] - [ -0.0000007000000000, -0.0000223300000000, -0.0000007800000000 ] - [ -0.0000007000000000, 0.0000223300000000, -0.0000007800000000 ] - [ -0.0028770300000000, -0.0032145200000000, 0.0013029800000000 ] - [ 0.0020438000000000, -0.0031117800000000, 0.0028244200000000 ] - [ 0.0020438000000000, 0.0031117800000000, 0.0028244200000000 ] - [ -0.0028770300000000, 0.0032145200000000, 0.0013029800000000 ] - [ 0.0001949700000000, -0.0001859100000000, 0.0000858100000000 ] - [ -0.0002120500000000, -0.0002051800000000, -0.0001069500000000 ] - [ -0.0002120500000000, 0.0002051800000000, -0.0001069500000000 ] - [ 0.0001949700000000, 0.0001859100000000, 0.0000858100000000 ] - [ -0.0008345500000000, -0.0003408500000000, 0.0004678500000000 ] - [ 0.0000949200000000, 0.0000000000000000, 0.0003780300000000 ] - [ 0.0001598700000000, 0.0005042400000000, 0.0000547200000000 ] - [ -0.0003294700000000, -0.0003184200000000, -0.0002254600000000 ] - [ 0.0005374000000000, 0.0003342600000000, 0.0002482800000000 ] - [ -0.0001082100000000, 0.0000000000000000, -0.0005296900000000 ] - [ -0.0003440300000000, 0.0000000000000000, 0.0004738000000000 ] - [ 0.0005374000000000, -0.0003342600000000, 0.0002482800000000 ] - [ -0.0008345500000000, 0.0003408500000000, 0.0004678500000000 ] - [ -0.0003294700000000, 0.0003184200000000, -0.0002254600000000 ] - [ 0.0002203700000000, 0.0000000000000000, -0.0005177800000000 ] - [ -0.0001370300000000, -0.0005191900000000, -0.0000153100000000 ] - [ -0.0001370300000000, 0.0005191900000000, -0.0000153100000000 ] - [ 0.0003682400000000, -0.0004648800000000, 0.0001272600000000 ] - [ 0.0003682400000000, 0.0004648800000000, 0.0001272600000000 ] - [ 0.0001598700000000, -0.0005042400000000, 0.0000547200000000 ] - [ 0.0000484500000000, -0.0000565700000000, 0.0000041000000000 ] - [ 0.0000507200000000, 0.0000000000000000, -0.0000428400000000 ] - [ 0.0001673300000000, -0.0000333000000000, -0.0008257700000000 ] - [ -0.0002846100000000, 0.0000677400000000, 0.0008985800000000 ] - [ -0.0000737500000000, 0.0000321000000000, -0.0000011000000000 ] - [ -0.0000419400000000, 0.0000000000000000, 0.0000528000000000 ] - [ -0.0000135700000000, 0.0000000000000000, 0.0001116900000000 ] - [ -0.0000737500000000, -0.0000321000000000, -0.0000011000000000 ] - [ 0.0000484500000000, 0.0000565700000000, 0.0000041000000000 ] - [ -0.0002846100000000, -0.0000677400000000, 0.0008985800000000 ] - [ 0.0000349100000000, 0.0000000000000000, -0.0001035500000000 ] - [ -0.0002826300000000, -0.0000671000000000, 0.0007531800000000 ] - [ -0.0002826300000000, 0.0000671000000000, 0.0007531800000000 ] - [ 0.0001554100000000, -0.0000336800000000, -0.0006754200000000 ] - [ 0.0001554100000000, 0.0000336800000000, -0.0006754200000000 ] - [ 0.0001673300000000, 0.0000333000000000, -0.0008257700000000 ] - [ -0.0001510500000000, -0.0005782300000000, 0.0010804100000000 ] - [ -0.0001510500000000, 0.0005782300000000, 0.0010804100000000 ] - [ 0.0000327800000000, 0.0000979000000000, 0.0000729300000000 ] - [ -0.0000799700000000, 0.0001468600000000, -0.0001841300000000 ] - [ -0.0000799700000000, -0.0001468600000000, -0.0001841300000000 ] - [ 0.0132027800000000, 0.0000000000000000, -0.0494192700000000 ] - [ -0.0035623900000000, 0.0000000000000000, 0.0128422800000000 ] - [ -0.0000492600000000, -0.0000945800000000, -0.0000814400000000 ] - [ -0.0000492600000000, 0.0000945800000000, -0.0000814400000000 ] - [ 0.0000327800000000, -0.0000979000000000, 0.0000729300000000 ] - [ 0.0000658500000000, -0.0001236600000000, 0.0000487600000000 ] - [ 0.0000658500000000, 0.0001236600000000, 0.0000487600000000 ] - [ 0.0000874500000000, 0.0000783400000000, 0.0000586400000000 ] - [ -0.0000113500000000, 0.0001271600000000, 0.0000003800000000 ] - [ -0.0000113500000000, -0.0001271600000000, 0.0000003800000000 ] - [ 0.0000568100000000, 0.0000000000000000, -0.0000329100000000 ] - [ -0.0000473300000000, 0.0000000000000000, 0.0000428800000000 ] - [ -0.0000492500000000, -0.0000750000000000, 0.0000087500000000 ] - [ -0.0000492500000000, 0.0000750000000000, 0.0000087500000000 ] - [ 0.0000874500000000, -0.0000783400000000, 0.0000586400000000 ] - [ -0.0007514800000000, 0.0000000000000000, -0.0000745900000000 ] - [ 0.0005396200000000, -0.0006933000000000, 0.0027618800000000 ] - [ 0.0019948100000000, -0.0014782900000000, 0.0001912700000000 ] - [ -0.0018018200000000, 0.0006772100000000, 0.0019305100000000 ] - [ -0.0012800300000000, -0.0020553900000000, -0.0006605600000000 ] - [ 0.0019948100000000, 0.0014782900000000, 0.0001912700000000 ] - [ -0.0012800300000000, 0.0020553900000000, -0.0006605600000000 ] - [ 0.0004419300000000, -0.0005107000000000, -0.0005070200000000 ] - [ -0.0019454900000000, -0.0015365600000000, -0.0007319900000000 ] - [ 0.0004419300000000, 0.0005107000000000, -0.0005070200000000 ] - [ 0.0005396200000000, 0.0006933000000000, 0.0027618800000000 ] - [ -0.0019454900000000, 0.0015365600000000, -0.0007319900000000 ] - [ 0.0018974200000000, -0.0026245900000000, 0.0001112700000000 ] - [ -0.0001788300000000, 0.0003909500000000, -0.0007678400000000 ] - [ 0.0007957100000000, 0.0000000000000000, 0.0004390100000000 ] - [ -0.0018018200000000, -0.0006772100000000, 0.0019305100000000 ] - [ 0.0018974200000000, 0.0026245900000000, 0.0001112700000000 ] - [ -0.0001788300000000, -0.0003909500000000, -0.0007678400000000 ] - [ -0.0000200400000000, 0.0000000000000000, -0.0000279700000000 ] - [ -0.0000960600000000, 0.0000177800000000, -0.0001061100000000 ] - [ -0.0002132300000000, 0.0001356400000000, 0.0000777800000000 ] - [ 0.0001571500000000, 0.0000106200000000, 0.0000473700000000 ] - [ -0.0000110800000000, 0.0000485500000000, -0.0001243000000000 ] - [ -0.0002132300000000, -0.0001356400000000, 0.0000777800000000 ] - [ -0.0000110800000000, -0.0000485500000000, -0.0001243000000000 ] - [ -0.0001640000000000, -0.0000074400000000, -0.0000491500000000 ] - [ 0.0002770600000000, 0.0001322900000000, -0.0000169900000000 ] - [ -0.0001640000000000, 0.0000074400000000, -0.0000491500000000 ] - [ -0.0000960600000000, -0.0000177800000000, -0.0001061100000000 ] - [ 0.0002770600000000, -0.0001322900000000, -0.0000169900000000 ] - [ -0.0000103500000000, -0.0000356600000000, 0.0000443000000000 ] - [ 0.0001236700000000, 0.0000223100000000, 0.0001030300000000 ] - [ 0.0000134600000000, 0.0000000000000000, 0.0000187000000000 ] - [ 0.0001571500000000, -0.0000106200000000, 0.0000473700000000 ] - [ -0.0000103500000000, 0.0000356600000000, 0.0000443000000000 ] - [ 0.0001236700000000, -0.0000223100000000, 0.0001030300000000 ]- atom: 50 displacement: [ 0.0028145825136884, 0.0000000000000000, -0.0095957347438140 ] forces: - [ 0.0028242500000000, 0.0130842600000000, -0.0093023200000000 ] - [ 0.0028242500000000, -0.0130842600000000, -0.0093023200000000 ] - [ 0.0000004800000000, -0.0000254300000000, 0.0000008000000000 ] - [ 0.0000004800000000, 0.0000254300000000, 0.0000008000000000 ] - [ 0.0033224300000000, 0.0027412500000000, -0.0011225400000000 ] - [ -0.0024960000000000, 0.0026387200000000, -0.0029739900000000 ] - [ -0.0024960000000000, -0.0026387200000000, -0.0029739900000000 ] - [ 0.0033224300000000, -0.0027412500000000, -0.0011225400000000 ] - [ 0.0002041300000000, -0.0002347500000000, 0.0000673200000000 ] - [ -0.0001824600000000, -0.0002128600000000, -0.0000451200000000 ] - [ -0.0001824600000000, 0.0002128600000000, -0.0000451200000000 ] - [ 0.0002041300000000, 0.0002347500000000, 0.0000673200000000 ] - [ 0.0009819200000000, 0.0001956300000000, -0.0004930800000000 ] - [ 0.0000170200000000, 0.0000000000000000, -0.0004718700000000 ] - [ -0.0001315700000000, -0.0004853900000000, 0.0000383500000000 ] - [ 0.0004319900000000, 0.0003731100000000, 0.0002120000000000 ] - [ -0.0006715500000000, -0.0001959200000000, -0.0002860400000000 ] - [ 0.0000062100000000, 0.0000000000000000, 0.0006240100000000 ] - [ 0.0003035300000000, 0.0000000000000000, -0.0002720900000000 ] - [ -0.0006715500000000, 0.0001959200000000, -0.0002860400000000 ] - [ 0.0009819200000000, -0.0001956300000000, -0.0004930800000000 ] - [ 0.0004319900000000, -0.0003731100000000, 0.0002120000000000 ] - [ -0.0001886200000000, 0.0000000000000000, 0.0003104800000000 ] - [ 0.0001080500000000, 0.0004997200000000, -0.0000781000000000 ] - [ 0.0001080500000000, -0.0004997200000000, -0.0000781000000000 ] - [ -0.0004718000000000, 0.0005205300000000, -0.0001136900000000 ] - [ -0.0004718000000000, -0.0005205300000000, -0.0001136900000000 ] - [ -0.0001315700000000, 0.0004853900000000, 0.0000383500000000 ] - [ 0.0001052300000000, -0.0000670700000000, 0.0000104300000000 ] - [ 0.0000501000000000, 0.0000000000000000, -0.0000486700000000 ] - [ -0.0001410600000000, 0.0000577600000000, 0.0009252000000000 ] - [ 0.0003842300000000, -0.0000098900000000, -0.0009212000000000 ] - [ -0.0000795900000000, 0.0000913200000000, -0.0000129500000000 ] - [ -0.0000599300000000, 0.0000000000000000, 0.0000380600000000 ] - [ -0.0000195500000000, 0.0000000000000000, 0.0000983700000000 ] - [ -0.0000795900000000, -0.0000913200000000, -0.0000129500000000 ] - [ 0.0001052300000000, 0.0000670700000000, 0.0000104300000000 ] - [ 0.0003842300000000, 0.0000098900000000, -0.0009212000000000 ] - [ -0.0000024100000000, 0.0000000000000000, -0.0001060200000000 ] - [ 0.0002572800000000, 0.0000387400000000, -0.0008519400000000 ] - [ 0.0002572800000000, -0.0000387400000000, -0.0008519400000000 ] - [ -0.0002549200000000, 0.0000878900000000, 0.0006969300000000 ] - [ -0.0002549200000000, -0.0000878900000000, 0.0006969300000000 ] - [ -0.0001410600000000, -0.0000577600000000, 0.0009252000000000 ] - [ 0.0002567900000000, 0.0003849300000000, -0.0010052100000000 ] - [ 0.0002567900000000, -0.0003849300000000, -0.0010052100000000 ] - [ 0.0000815500000000, 0.0000938200000000, -0.0000378200000000 ] - [ -0.0000257800000000, 0.0000467500000000, 0.0001076600000000 ] - [ -0.0000257800000000, -0.0000467500000000, 0.0001076600000000 ] - [ -0.0126985100000000, 0.0000000000000000, 0.0479870400000000 ] - [ 0.0034204900000000, 0.0000000000000000, -0.0126456700000000 ] - [ -0.0000653800000000, -0.0000973500000000, 0.0000463800000000 ] - [ -0.0000653800000000, 0.0000973500000000, 0.0000463800000000 ] - [ 0.0000815500000000, -0.0000938200000000, -0.0000378200000000 ] - [ 0.0000404100000000, -0.0000760100000000, 0.0000320500000000 ] - [ 0.0000404100000000, 0.0000760100000000, 0.0000320500000000 ] - [ 0.0000264000000000, 0.0001155300000000, -0.0000222900000000 ] - [ -0.0000954000000000, 0.0000722000000000, -0.0000807000000000 ] - [ -0.0000954000000000, -0.0000722000000000, -0.0000807000000000 ] - [ 0.0000518800000000, 0.0000000000000000, -0.0000408000000000 ] - [ -0.0000617900000000, 0.0000000000000000, 0.0000312100000000 ] - [ -0.0000654500000000, -0.0001187200000000, -0.0000440100000000 ] - [ -0.0000654500000000, 0.0001187200000000, -0.0000440100000000 ] - [ 0.0000264000000000, -0.0001155300000000, -0.0000222900000000 ] - [ 0.0007460400000000, 0.0000000000000000, 0.0000194900000000 ] - [ -0.0007424700000000, 0.0007237100000000, -0.0030093500000000 ] - [ -0.0022457300000000, 0.0017807100000000, -0.0003590400000000 ] - [ 0.0020626500000000, -0.0006423000000000, -0.0018491900000000 ] - [ 0.0013455200000000, 0.0020303100000000, 0.0009270400000000 ] - [ -0.0022457300000000, -0.0017807100000000, -0.0003590400000000 ] - [ 0.0013455200000000, -0.0020303100000000, 0.0009270400000000 ] - [ -0.0007182600000000, 0.0004728300000000, 0.0004123300000000 ] - [ 0.0021970900000000, 0.0018380400000000, 0.0008916100000000 ] - [ -0.0007182600000000, -0.0004728300000000, 0.0004123300000000 ] - [ -0.0007424700000000, -0.0007237100000000, -0.0030093500000000 ] - [ 0.0021970900000000, -0.0018380400000000, 0.0008916100000000 ] - [ -0.0019682500000000, 0.0026043000000000, -0.0003712200000000 ] - [ 0.0004013900000000, -0.0004167400000000, 0.0010110000000000 ] - [ -0.0007928300000000, 0.0000000000000000, -0.0003793200000000 ] - [ 0.0020626500000000, 0.0006423000000000, -0.0018491900000000 ] - [ -0.0019682500000000, -0.0026043000000000, -0.0003712200000000 ] - [ 0.0004013900000000, 0.0004167400000000, 0.0010110000000000 ] - [ 0.0000104900000000, 0.0000000000000000, -0.0000308300000000 ] - [ -0.0001070400000000, 0.0000234500000000, -0.0001233900000000 ] - [ -0.0000433700000000, 0.0001733300000000, -0.0002434600000000 ] - [ 0.0000950000000000, 0.0000137500000000, 0.0000486100000000 ] - [ 0.0000602600000000, -0.0001008900000000, 0.0003819500000000 ] - [ -0.0000433700000000, -0.0001733300000000, -0.0002434600000000 ] - [ 0.0000602600000000, 0.0001008900000000, 0.0003819500000000 ] - [ -0.0000891800000000, -0.0000168900000000, -0.0000459200000000 ] - [ -0.0000203600000000, 0.0001755500000000, 0.0001825500000000 ] - [ -0.0000891800000000, 0.0000168900000000, -0.0000459200000000 ] - [ -0.0001070400000000, -0.0000234500000000, -0.0001233900000000 ] - [ -0.0000203600000000, -0.0001755500000000, 0.0001825500000000 ] - [ -0.0000394900000000, -0.0000162700000000, -0.0003020400000000 ] - [ 0.0000791600000000, -0.0000634600000000, 0.0001256300000000 ] - [ -0.0000042700000000, 0.0000000000000000, 0.0000401800000000 ] - [ 0.0000950000000000, -0.0000137500000000, 0.0000486100000000 ] - [ -0.0000394900000000, 0.0000162700000000, -0.0003020400000000 ] - [ 0.0000791600000000, 0.0000634600000000, 0.0001256300000000 ]- atom: 65 displacement: [ 0.0099999418370919, 0.0000000000000000, 0.0000341065210551 ] forces: - [ 0.0000400900000000, -0.0005594700000000, -0.0000307700000000 ] - [ 0.0000400900000000, 0.0005594700000000, -0.0000307700000000 ] - [ 0.0000071500000000, -0.0000297900000000, 0.0000027100000000 ] - [ 0.0000071500000000, 0.0000297900000000, 0.0000027100000000 ] - [ -0.0002901400000000, 0.0004040800000000, 0.0020590000000000 ] - [ -0.0015088700000000, 0.0001062100000000, -0.0004445100000000 ] - [ -0.0015088700000000, -0.0001062100000000, -0.0004445100000000 ] - [ -0.0002901400000000, -0.0004040800000000, 0.0020590000000000 ] - [ 0.0002437200000000, -0.0005658300000000, 0.0001277200000000 ] - [ -0.0000263400000000, -0.0002155300000000, -0.0000456700000000 ] - [ -0.0000263400000000, 0.0002155300000000, -0.0000456700000000 ] - [ 0.0002437200000000, 0.0005658300000000, 0.0001277200000000 ] - [ -0.0022832000000000, 0.0001199400000000, -0.0007126300000000 ] - [ 0.0151294300000000, 0.0000000000000000, 0.0192617000000000 ] - [ 0.0006451800000000, -0.0002654700000000, 0.0000939000000000 ] - [ 0.0003797400000000, -0.0014324100000000, 0.0001239400000000 ] - [ 0.0180821100000000, -0.0039020300000000, 0.0025656500000000 ] - [ -0.0029186500000000, 0.0000000000000000, -0.0008956700000000 ] - [ -0.0035503300000000, 0.0000000000000000, -0.0006142500000000 ] - [ 0.0180821100000000, 0.0039020300000000, 0.0025656500000000 ] - [ -0.0022832000000000, -0.0001199400000000, -0.0007126300000000 ] - [ 0.0003797400000000, 0.0014324100000000, 0.0001239400000000 ] - [ 0.0370416100000000, 0.0000000000000000, -0.0253232900000000 ] - [ -0.0010196600000000, 0.0001366700000000, -0.0003938600000000 ] - [ -0.0010196600000000, -0.0001366700000000, -0.0003938600000000 ] - [ -0.0009772300000000, -0.0000202700000000, -0.0002399400000000 ] - [ -0.0009772300000000, 0.0000202700000000, -0.0002399400000000 ] - [ 0.0006451800000000, 0.0002654700000000, 0.0000939000000000 ] - [ 0.0002772000000000, -0.0001187600000000, 0.0000868000000000 ] - [ -0.0001140300000000, 0.0000000000000000, -0.0001150100000000 ] - [ -0.0014440400000000, -0.0016661400000000, -0.0003386100000000 ] - [ -0.0010812300000000, -0.0014874500000000, -0.0003378100000000 ] - [ -0.0001228400000000, 0.0002255800000000, -0.0000403900000000 ] - [ 0.0000265600000000, 0.0000000000000000, 0.0000817900000000 ] - [ 0.0000741900000000, 0.0000000000000000, 0.0001086500000000 ] - [ -0.0001228400000000, -0.0002255800000000, -0.0000403900000000 ] - [ 0.0002772000000000, 0.0001187600000000, 0.0000868000000000 ] - [ -0.0010812300000000, 0.0014874500000000, -0.0003378100000000 ] - [ -0.0001780000000000, 0.0000000000000000, -0.0001460100000000 ] - [ 0.0020216600000000, 0.0015252500000000, 0.0011930400000000 ] - [ 0.0020216600000000, -0.0015252500000000, 0.0011930400000000 ] - [ 0.0019160300000000, -0.0016939100000000, -0.0002732000000000 ] - [ 0.0019160300000000, 0.0016939100000000, -0.0002732000000000 ] - [ -0.0014440400000000, 0.0016661400000000, -0.0003386100000000 ] - [ 0.0008323800000000, 0.0020672300000000, 0.0018699400000000 ] - [ 0.0008323800000000, -0.0020672300000000, 0.0018699400000000 ] - [ 0.0000661400000000, -0.0000311000000000, 0.0000552800000000 ] - [ 0.0011415600000000, -0.0008480600000000, -0.0003532000000000 ] - [ 0.0011415600000000, 0.0008480600000000, -0.0003532000000000 ] - [ 0.0012122200000000, 0.0000000000000000, -0.0004750100000000 ] - [ 0.0005296000000000, 0.0000000000000000, 0.0010371200000000 ] - [ 0.0000378200000000, -0.0000129900000000, 0.0000413500000000 ] - [ 0.0000378200000000, 0.0000129900000000, 0.0000413500000000 ] - [ 0.0000661400000000, 0.0000311000000000, 0.0000552800000000 ] - [ -0.0001622100000000, 0.0001772900000000, -0.0000025000000000 ] - [ -0.0001622100000000, -0.0001772900000000, -0.0000025000000000 ] - [ 0.0030032100000000, -0.0023238900000000, -0.0000170500000000 ] - [ -0.0003924800000000, -0.0002385500000000, -0.0001158100000000 ] - [ -0.0003924800000000, 0.0002385500000000, -0.0001158100000000 ] - [ 0.0000222900000000, 0.0000000000000000, -0.0000610900000000 ] - [ -0.0000833400000000, 0.0000000000000000, 0.0000362400000000 ] - [ 0.0041705000000000, 0.0046988600000000, 0.0018507300000000 ] - [ 0.0041705000000000, -0.0046988600000000, 0.0018507300000000 ] - [ 0.0030032100000000, 0.0023238900000000, -0.0000170500000000 ] - [ -0.0824751300000000, 0.0000000000000000, 0.0075853200000000 ] - [ -0.0048184600000000, 0.0031869900000000, -0.0011203700000000 ] - [ -0.0004256600000000, 0.0003598800000000, -0.0005144200000000 ] - [ 0.0015733700000000, -0.0007223300000000, 0.0002487500000000 ] - [ -0.0062332400000000, -0.0036731100000000, -0.0020036900000000 ] - [ -0.0004256600000000, -0.0003598800000000, -0.0005144200000000 ] - [ -0.0062332400000000, 0.0036731100000000, -0.0020036900000000 ] - [ -0.0013663000000000, -0.0003889600000000, -0.0053241800000000 ] - [ 0.0011906400000000, -0.0000188300000000, 0.0002870300000000 ] - [ -0.0013663000000000, 0.0003889600000000, -0.0053241800000000 ] - [ -0.0048184600000000, -0.0031869900000000, -0.0011203700000000 ] - [ 0.0011906400000000, 0.0000188300000000, 0.0002870300000000 ] - [ 0.0013171600000000, -0.0000975500000000, 0.0004306500000000 ] - [ 0.0015159400000000, -0.0008449700000000, 0.0006614400000000 ] - [ 0.0023812100000000, 0.0000000000000000, 0.0006253700000000 ] - [ 0.0015733700000000, 0.0007223300000000, 0.0002487500000000 ] - [ 0.0013171600000000, 0.0000975500000000, 0.0004306500000000 ] - [ 0.0015159400000000, 0.0008449700000000, 0.0006614400000000 ] - [ 0.0001610500000000, 0.0000000000000000, 0.0000196700000000 ] - [ 0.0000032800000000, -0.0000372300000000, 0.0000247100000000 ] - [ 0.0003972700000000, 0.0011068400000000, 0.0000541100000000 ] - [ -0.0000645900000000, -0.0000740400000000, 0.0000407600000000 ] - [ 0.0008475900000000, -0.0007284800000000, 0.0004120600000000 ] - [ 0.0003972700000000, -0.0011068400000000, 0.0000541100000000 ] - [ 0.0008475900000000, 0.0007284800000000, 0.0004120600000000 ] - [ 0.0001411300000000, -0.0000289600000000, -0.0001258900000000 ] - [ -0.0003509900000000, 0.0004852700000000, -0.0002703000000000 ] - [ 0.0001411300000000, 0.0000289600000000, -0.0001258900000000 ] - [ 0.0000032800000000, 0.0000372300000000, 0.0000247100000000 ] - [ -0.0003509900000000, -0.0004852700000000, -0.0002703000000000 ] - [ -0.0007579300000000, -0.0002972000000000, -0.0000696000000000 ] - [ -0.0000869500000000, -0.0001007200000000, -0.0000169900000000 ] - [ -0.0001356900000000, 0.0000000000000000, -0.0000018400000000 ] - [ -0.0000645900000000, 0.0000740400000000, 0.0000407600000000 ] - [ -0.0007579300000000, 0.0002972000000000, -0.0000696000000000 ] - [ -0.0000869500000000, 0.0001007200000000, -0.0000169900000000 ]- atom: 65 displacement: [ -0.0099999418370919, 0.0000000000000000, -0.0000341065210551 ] forces: - [ -0.0000420900000000, 0.0005232900000000, 0.0000279500000000 ] - [ -0.0000420900000000, -0.0005232900000000, 0.0000279500000000 ] - [ -0.0000069700000000, -0.0000092400000000, -0.0000028900000000 ] - [ -0.0000069700000000, 0.0000092400000000, -0.0000028900000000 ] - [ 0.0006609800000000, -0.0008197400000000, -0.0019000700000000 ] - [ 0.0011221200000000, -0.0005143900000000, 0.0002922200000000 ] - [ 0.0011221200000000, 0.0005143900000000, 0.0002922200000000 ] - [ 0.0006609800000000, 0.0008197400000000, -0.0019000700000000 ] - [ 0.0001509300000000, 0.0001597900000000, 0.0000235500000000 ] - [ -0.0003680300000000, -0.0001914900000000, -0.0001048100000000 ] - [ -0.0003680300000000, 0.0001914900000000, -0.0001048100000000 ] - [ 0.0001509300000000, -0.0001597900000000, 0.0000235500000000 ] - [ 0.0024434800000000, -0.0002431300000000, 0.0007316600000000 ] - [ -0.0150714400000000, 0.0000000000000000, -0.0191200900000000 ] - [ -0.0006314000000000, 0.0002799300000000, -0.0000014300000000 ] - [ -0.0002874300000000, 0.0014880000000000, -0.0001450400000000 ] - [ -0.0185099400000000, 0.0044529800000000, -0.0026992400000000 ] - [ 0.0028227100000000, 0.0000000000000000, 0.0009857700000000 ] - [ 0.0035077000000000, 0.0000000000000000, 0.0008256900000000 ] - [ -0.0185099400000000, -0.0044529800000000, -0.0026992400000000 ] - [ 0.0024434800000000, 0.0002431300000000, 0.0007316600000000 ] - [ -0.0002874300000000, -0.0014880000000000, -0.0001450400000000 ] - [ -0.0357900300000000, 0.0000000000000000, 0.0237894400000000 ] - [ 0.0010073400000000, -0.0001533000000000, 0.0003034100000000 ] - [ 0.0010073400000000, 0.0001533000000000, 0.0003034100000000 ] - [ 0.0008880500000000, 0.0000718100000000, 0.0002607900000000 ] - [ 0.0008880500000000, -0.0000718100000000, 0.0002607900000000 ] - [ -0.0006314000000000, -0.0002799300000000, -0.0000014300000000 ] - [ -0.0001198600000000, -0.0000042200000000, -0.0000692700000000 ] - [ 0.0002209300000000, 0.0000000000000000, 0.0000259100000000 ] - [ 0.0014550700000000, 0.0016829300000000, 0.0004262400000000 ] - [ 0.0011685500000000, 0.0015401900000000, 0.0003186300000000 ] - [ -0.0000346100000000, -0.0001036800000000, 0.0000232100000000 ] - [ -0.0001322600000000, 0.0000000000000000, 0.0000081300000000 ] - [ -0.0001124800000000, 0.0000000000000000, 0.0001002900000000 ] - [ -0.0000346100000000, 0.0001036800000000, 0.0000232100000000 ] - [ -0.0001198600000000, 0.0000042200000000, -0.0000692700000000 ] - [ 0.0011685500000000, -0.0015401900000000, 0.0003186300000000 ] - [ 0.0002170900000000, 0.0000000000000000, -0.0000637600000000 ] - [ -0.0020281200000000, -0.0015472100000000, -0.0012908200000000 ] - [ -0.0020281200000000, 0.0015472100000000, -0.0012908200000000 ] - [ -0.0020041700000000, 0.0017446600000000, 0.0003020900000000 ] - [ -0.0020041700000000, -0.0017446600000000, 0.0003020900000000 ] - [ 0.0014550700000000, -0.0016829300000000, 0.0004262400000000 ] - [ -0.0007293400000000, -0.0022648200000000, -0.0017902100000000 ] - [ -0.0007293400000000, 0.0022648200000000, -0.0017902100000000 ] - [ 0.0000474300000000, 0.0002219900000000, -0.0000212500000000 ] - [ -0.0012447200000000, 0.0010449600000000, 0.0002716100000000 ] - [ -0.0012447200000000, -0.0010449600000000, 0.0002716100000000 ] - [ -0.0011261400000000, 0.0000000000000000, 0.0004100200000000 ] - [ -0.0006431200000000, 0.0000000000000000, -0.0009748700000000 ] - [ -0.0001499700000000, -0.0001777800000000, -0.0000751700000000 ] - [ -0.0001499700000000, 0.0001777800000000, -0.0000751700000000 ] - [ 0.0000474300000000, -0.0002219900000000, -0.0000212500000000 ] - [ 0.0002685000000000, -0.0003757300000000, 0.0000837800000000 ] - [ 0.0002685000000000, 0.0003757300000000, 0.0000837800000000 ] - [ -0.0028989000000000, 0.0025266200000000, 0.0000391900000000 ] - [ 0.0002888800000000, 0.0004358400000000, 0.0000352800000000 ] - [ 0.0002888800000000, -0.0004358400000000, 0.0000352800000000 ] - [ 0.0000867900000000, 0.0000000000000000, -0.0000133300000000 ] - [ -0.0000244000000000, 0.0000000000000000, 0.0000376300000000 ] - [ -0.0042232600000000, -0.0048184100000000, -0.0018552600000000 ] - [ -0.0042232600000000, 0.0048184100000000, -0.0018552600000000 ] - [ -0.0028989000000000, -0.0025266200000000, 0.0000391900000000 ] - [ 0.0816217700000000, 0.0000000000000000, -0.0064079700000000 ] - [ 0.0046156200000000, -0.0031527200000000, 0.0009133000000000 ] - [ 0.0001714300000000, -0.0000461300000000, 0.0003494900000000 ] - [ -0.0013243600000000, 0.0007518800000000, -0.0001543200000000 ] - [ 0.0063109600000000, 0.0036440600000000, 0.0022751700000000 ] - [ 0.0001714300000000, 0.0000461300000000, 0.0003494900000000 ] - [ 0.0063109600000000, -0.0036440600000000, 0.0022751700000000 ] - [ 0.0011564700000000, 0.0003671100000000, 0.0052146100000000 ] - [ -0.0009387700000000, 0.0003245400000000, -0.0001235600000000 ] - [ 0.0011564700000000, -0.0003671100000000, 0.0052146100000000 ] - [ 0.0046156200000000, 0.0031527200000000, 0.0009133000000000 ] - [ -0.0009387700000000, -0.0003245400000000, -0.0001235600000000 ] - [ -0.0013643300000000, 0.0000438600000000, -0.0006854500000000 ] - [ -0.0013144100000000, 0.0008050600000000, -0.0004311000000000 ] - [ -0.0023721500000000, 0.0000000000000000, -0.0005702200000000 ] - [ -0.0013243600000000, -0.0007518800000000, -0.0001543200000000 ] - [ -0.0013643300000000, -0.0000438600000000, -0.0006854500000000 ] - [ -0.0013144100000000, -0.0008050600000000, -0.0004311000000000 ] - [ -0.0001710500000000, 0.0000000000000000, -0.0000791400000000 ] - [ -0.0002054100000000, 0.0000786100000000, -0.0002562600000000 ] - [ -0.0006493100000000, -0.0008008900000000, -0.0002176700000000 ] - [ 0.0003188100000000, 0.0000985000000000, 0.0000512300000000 ] - [ -0.0007989000000000, 0.0006769500000000, -0.0001560200000000 ] - [ -0.0006493100000000, 0.0008008900000000, -0.0002176700000000 ] - [ -0.0007989000000000, -0.0006769500000000, -0.0001560200000000 ] - [ -0.0003943600000000, 0.0000048300000000, 0.0000334500000000 ] - [ 0.0006042800000000, -0.0001793500000000, 0.0004352400000000 ] - [ -0.0003943600000000, -0.0000048300000000, 0.0000334500000000 ] - [ -0.0002054100000000, -0.0000786100000000, -0.0002562600000000 ] - [ 0.0006042800000000, 0.0001793500000000, 0.0004352400000000 ] - [ 0.0007093200000000, 0.0002447200000000, -0.0001874000000000 ] - [ 0.0002901800000000, 0.0000600400000000, 0.0002476100000000 ] - [ 0.0001466100000000, 0.0000000000000000, 0.0000615600000000 ] - [ 0.0003188100000000, -0.0000985000000000, 0.0000512300000000 ] - [ 0.0007093200000000, -0.0002447200000000, -0.0001874000000000 ] - [ 0.0002901800000000, -0.0000600400000000, 0.0002476100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000951300000000, 0.0012043400000000, -0.0000384100000000 ] - [ 0.0000929900000000, 0.0012431600000000, 0.0000385600000000 ] - [ -0.0000083000000000, -0.0004257900000000, -0.0000169400000000 ] - [ 0.0000084600000000, -0.0003877000000000, 0.0000168700000000 ] - [ -0.0036071100000000, -0.0013139500000000, -0.0013807200000000 ] - [ -0.0003656800000000, 0.0003881200000000, -0.0000711800000000 ] - [ -0.0000425000000000, 0.0008007900000000, -0.0000853800000000 ] - [ 0.0040109500000000, -0.0008991300000000, 0.0015358700000000 ] - [ 0.0003470900000000, -0.0011071400000000, 0.0000891500000000 ] - [ -0.0006142900000000, -0.0015803500000000, -0.0002010700000000 ] - [ 0.0001994900000000, -0.0011681200000000, 0.0000439000000000 ] - [ 0.0000680900000000, -0.0006973700000000, 0.0000678400000000 ] - [ -0.0017046500000000, 0.0019969700000000, -0.0005177300000000 ] - [ 0.0000064400000000, 0.0117337200000000, -0.0001455300000000 ] - [ 0.0003214400000000, -0.0018217900000000, 0.0000233500000000 ] - [ 0.0001422300000000, -0.0029363300000000, 0.0000312100000000 ] - [ -0.0097932500000000, 0.0119125100000000, -0.0014785900000000 ] - [ -0.0000393500000000, 0.0018146700000000, 0.0000471500000000 ] - [ -0.0000078700000000, 0.0019642500000000, 0.0001103000000000 ] - [ 0.0090229200000000, 0.0110053900000000, 0.0012861200000000 ] - [ 0.0018845200000000, 0.0021243100000000, 0.0005409300000000 ] - [ -0.0000505000000000, -0.0030024800000000, -0.0000532300000000 ] - [ -0.0000740600000000, 0.0120089700000000, -0.0000396700000000 ] - [ 0.0010324400000000, -0.0010328500000000, 0.0002539400000000 ] - [ -0.0010389000000000, -0.0010168900000000, -0.0003487200000000 ] - [ -0.0009322500000000, -0.0010607700000000, -0.0002589300000000 ] - [ 0.0008442000000000, -0.0011152600000000, 0.0002841100000000 ] - [ -0.0003127100000000, -0.0018360800000000, 0.0000726900000000 ] - [ -0.0001314600000000, -0.0018244700000000, -0.0000233100000000 ] - [ 0.0000551300000000, -0.0015398800000000, -0.0000447900000000 ] - [ -0.0001363700000000, 0.0002527800000000, -0.0002686600000000 ] - [ -0.0001109200000000, 0.0002996900000000, 0.0001352300000000 ] - [ -0.0000798300000000, -0.0014257400000000, -0.0000134600000000 ] - [ -0.0000544500000000, -0.0017406200000000, 0.0000447900000000 ] - [ -0.0000200400000000, -0.0017899000000000, 0.0001045400000000 ] - [ -0.0000754700000000, -0.0015489500000000, -0.0000021900000000 ] - [ 0.0002859800000000, -0.0017009100000000, 0.0000393000000000 ] - [ 0.0002109700000000, 0.0002358100000000, -0.0001537400000000 ] - [ 0.0000200400000000, -0.0015319600000000, -0.0001034600000000 ] - [ 0.0011663800000000, -0.0013265500000000, 0.0016795900000000 ] - [ -0.0011917300000000, -0.0013049600000000, -0.0017885600000000 ] - [ -0.0017923900000000, -0.0014838400000000, 0.0007364700000000 ] - [ 0.0016850600000000, -0.0015417200000000, -0.0007087900000000 ] - [ 0.0001606300000000, 0.0002276500000000, 0.0003643300000000 ] - [ 0.0010177400000000, 0.0027990600000000, 0.0022345800000000 ] - [ -0.0009234400000000, 0.0030101100000000, -0.0021545200000000 ] - [ 0.0000196100000000, 0.0012574800000000, -0.0000215100000000 ] - [ -0.0018202600000000, 0.0016662900000000, 0.0003475300000000 ] - [ 0.0017169600000000, 0.0014595900000000, -0.0004324600000000 ] - [ 0.0000556800000000, -0.0028879400000000, -0.0000480400000000 ] - [ -0.0000592700000000, -0.0030348700000000, 0.0000455100000000 ] - [ 0.0000964000000000, 0.0009010200000000, 0.0000596500000000 ] - [ -0.0002023100000000, 0.0010901100000000, -0.0000941200000000 ] - [ 0.0000854600000000, 0.0010694800000000, 0.0000561000000000 ] - [ 0.0004068600000000, 0.0004647600000000, 0.0001512100000000 ] - [ -0.0003104300000000, 0.0006692000000000, -0.0000613300000000 ] - [ 0.0003652700000000, -0.0012974600000000, 0.0000750100000000 ] - [ -0.0005217100000000, 0.0008349000000000, -0.0001771400000000 ] - [ 0.0004277500000000, 0.0006311600000000, 0.0000875700000000 ] - [ 0.0000638000000000, 0.0007450200000000, -0.0000644800000000 ] - [ -0.0000630000000000, 0.0007419500000000, 0.0000649800000000 ] - [ 0.0041939700000000, 0.0006310700000000, 0.0012616300000000 ] - [ -0.0042587100000000, 0.0008262500000000, -0.0012850300000000 ] - [ -0.0002908300000000, -0.0015117400000000, -0.0000489500000000 ] - [ 0.0007610600000000, -0.0557827100000000, 0.0001900000000000 ] - [ 0.0013508300000000, 0.0009989300000000, -0.0066171600000000 ] - [ 0.0002975600000000, 0.0020243600000000, 0.0001577900000000 ] - [ 0.0007308200000000, -0.0008617900000000, 0.0000034100000000 ] - [ 0.0034386300000000, 0.0036894700000000, 0.0011519200000000 ] - [ -0.0005531100000000, 0.0017077700000000, -0.0003219500000000 ] - [ -0.0034003300000000, 0.0037218400000000, -0.0008985200000000 ] - [ -0.0019456500000000, 0.0007455400000000, 0.0058477900000000 ] - [ 0.0001473300000000, -0.0003459100000000, 0.0000873200000000 ] - [ 0.0016772700000000, 0.0007650800000000, -0.0058885200000000 ] - [ -0.0015413000000000, 0.0009492600000000, 0.0063265000000000 ] - [ 0.0001037800000000, -0.0006589200000000, 0.0000768100000000 ] - [ -0.0000730400000000, -0.0000538200000000, -0.0001286500000000 ] - [ 0.0005858200000000, -0.0008758400000000, 0.0003716400000000 ] - [ -0.0000024600000000, -0.0023491000000000, 0.0000266400000000 ] - [ -0.0004853600000000, -0.0008901300000000, 0.0000895200000000 ] - [ 0.0000151700000000, -0.0000046000000000, -0.0001310500000000 ] - [ -0.0003887800000000, -0.0008381700000000, -0.0001410900000000 ] - [ -0.0000072000000000, 0.0010747500000000, -0.0000304200000000 ] - [ -0.0002494500000000, 0.0009478900000000, -0.0003335700000000 ] - [ -0.0006517000000000, 0.0008379700000000, -0.0002356900000000 ] - [ -0.0001244300000000, 0.0011972600000000, 0.0002382100000000 ] - [ 0.0007315300000000, 0.0005805300000000, 0.0003147200000000 ] - [ 0.0003884300000000, 0.0005290900000000, 0.0000690000000000 ] - [ -0.0006889300000000, 0.0006276800000000, -0.0000598900000000 ] - [ -0.0003185200000000, 0.0009957400000000, 0.0000659900000000 ] - [ 0.0006905600000000, 0.0016414600000000, 0.0003740100000000 ] - [ 0.0000591800000000, 0.0010154300000000, -0.0001582700000000 ] - [ 0.0000433100000000, 0.0009032400000000, 0.0000990300000000 ] - [ -0.0004286500000000, 0.0013315500000000, -0.0002061100000000 ] - [ -0.0005327900000000, 0.0012596600000000, -0.0000406000000000 ] - [ 0.0000662500000000, 0.0011482300000000, -0.0001165500000000 ] - [ 0.0000071200000000, 0.0011741000000000, 0.0000301000000000 ] - [ 0.0003821300000000, 0.0011762400000000, -0.0001447500000000 ] - [ 0.0004893800000000, 0.0013094000000000, -0.0002166400000000 ] - [ 0.0001397800000000, 0.0011914700000000, 0.0003496400000000 ]- atom: 65 displacement: [ -0.0028145825136884, 0.0000000000000000, 0.0095957347438140 ] forces: - [ 0.0000312100000000, -0.0000542200000000, -0.0000969700000000 ] - [ 0.0000312100000000, 0.0000542200000000, -0.0000969700000000 ] - [ -0.0000022500000000, -0.0000179900000000, 0.0000019000000000 ] - [ -0.0000022500000000, 0.0000179900000000, 0.0000019000000000 ] - [ 0.0028201100000000, 0.0000887000000000, -0.0080403200000000 ] - [ -0.0003110800000000, -0.0001505000000000, 0.0002256400000000 ] - [ -0.0003110800000000, 0.0001505000000000, 0.0002256400000000 ] - [ 0.0028201100000000, -0.0000887000000000, -0.0080403200000000 ] - [ 0.0001747500000000, -0.0001080900000000, 0.0000679700000000 ] - [ -0.0002720600000000, -0.0002835800000000, -0.0000739600000000 ] - [ -0.0002720600000000, 0.0002835800000000, -0.0000739600000000 ] - [ 0.0001747500000000, 0.0001080900000000, 0.0000679700000000 ] - [ 0.0000657000000000, -0.0000074400000000, 0.0000183400000000 ] - [ 0.0078611600000000, 0.0000000000000000, 0.0368495800000000 ] - [ -0.0000698100000000, 0.0000360900000000, 0.0001133100000000 ] - [ 0.0000099800000000, 0.0000275000000000, -0.0001000300000000 ] - [ -0.0018141100000000, 0.0001445500000000, 0.0062638100000000 ] - [ -0.0014527900000000, 0.0000000000000000, -0.0006940400000000 ] - [ 0.0013094900000000, 0.0000000000000000, 0.0003711900000000 ] - [ -0.0018141100000000, -0.0001445500000000, 0.0062638100000000 ] - [ 0.0000657000000000, 0.0000074400000000, 0.0000183400000000 ] - [ 0.0000099800000000, -0.0000275000000000, -0.0001000300000000 ] - [ -0.0252514600000000, 0.0000000000000000, 0.0287007100000000 ] - [ -0.0000040200000000, 0.0000115800000000, 0.0000166900000000 ] - [ -0.0000040200000000, -0.0000115800000000, 0.0000166900000000 ] - [ -0.0000158800000000, -0.0000132300000000, -0.0000434100000000 ] - [ -0.0000158800000000, 0.0000132300000000, -0.0000434100000000 ] - [ -0.0000698100000000, -0.0000360900000000, 0.0001133100000000 ] - [ 0.0000726300000000, -0.0000271000000000, 0.0000013900000000 ] - [ 0.0000707300000000, 0.0000000000000000, -0.0000522400000000 ] - [ 0.0003131100000000, 0.0002028300000000, 0.0000834700000000 ] - [ -0.0001003300000000, -0.0000991700000000, -0.0000023700000000 ] - [ -0.0000614500000000, 0.0000967500000000, 0.0000016800000000 ] - [ -0.0000365500000000, 0.0000000000000000, 0.0000386500000000 ] - [ -0.0000139100000000, 0.0000000000000000, 0.0001115800000000 ] - [ -0.0000614500000000, -0.0000967500000000, 0.0000016800000000 ] - [ 0.0000726300000000, 0.0000271000000000, 0.0000013900000000 ] - [ -0.0001003300000000, 0.0000991700000000, -0.0000023700000000 ] - [ 0.0000341700000000, 0.0000000000000000, -0.0000858100000000 ] - [ -0.0004450700000000, 0.0013979400000000, 0.0000245500000000 ] - [ -0.0004450700000000, -0.0013979400000000, 0.0000245500000000 ] - [ 0.0002379400000000, 0.0012282200000000, 0.0002871100000000 ] - [ 0.0002379400000000, -0.0012282200000000, 0.0002871100000000 ] - [ 0.0003131100000000, -0.0002028300000000, 0.0000834700000000 ] - [ -0.0002077700000000, -0.0007109700000000, -0.0002648800000000 ] - [ -0.0002077700000000, 0.0007109700000000, -0.0002648800000000 ] - [ 0.0000674500000000, 0.0000867100000000, 0.0000160300000000 ] - [ 0.0002183900000000, -0.0002003200000000, -0.0000446100000000 ] - [ 0.0002183900000000, 0.0002003200000000, -0.0000446100000000 ] - [ -0.0004392800000000, 0.0000000000000000, -0.0000225600000000 ] - [ 0.0004905500000000, 0.0000000000000000, 0.0003856400000000 ] - [ -0.0000572100000000, -0.0001070300000000, -0.0000305900000000 ] - [ -0.0000572100000000, 0.0001070300000000, -0.0000305900000000 ] - [ 0.0000674500000000, -0.0000867100000000, 0.0000160300000000 ] - [ 0.0000160600000000, -0.0001287200000000, 0.0000807300000000 ] - [ 0.0000160600000000, 0.0001287200000000, 0.0000807300000000 ] - [ -0.0011065900000000, 0.0004198200000000, 0.0026297100000000 ] - [ -0.0000417800000000, 0.0001358300000000, -0.0002292800000000 ] - [ -0.0000417800000000, -0.0001358300000000, -0.0002292800000000 ] - [ 0.0000631200000000, 0.0000000000000000, -0.0000519700000000 ] - [ -0.0000510800000000, 0.0000000000000000, 0.0000472100000000 ] - [ 0.0003746000000000, -0.0001805000000000, -0.0017983500000000 ] - [ 0.0003746000000000, 0.0001805000000000, -0.0017983500000000 ] - [ -0.0011065900000000, -0.0004198200000000, 0.0026297100000000 ] - [ 0.0288402700000000, 0.0000000000000000, -0.1004015300000000 ] - [ 0.0021520900000000, -0.0069174000000000, 0.0091657000000000 ] - [ -0.0006844300000000, -0.0000094500000000, 0.0015358800000000 ] - [ 0.0005620800000000, -0.0003918800000000, 0.0000258900000000 ] - [ -0.0001798400000000, -0.0001141300000000, 0.0003896900000000 ] - [ -0.0006844300000000, 0.0000094500000000, 0.0015358800000000 ] - [ -0.0001798400000000, 0.0001141300000000, 0.0003896900000000 ] - [ -0.0073099100000000, 0.0071178000000000, 0.0069183300000000 ] - [ 0.0000573400000000, 0.0001003400000000, 0.0000816000000000 ] - [ -0.0073099100000000, -0.0071178000000000, 0.0069183300000000 ] - [ 0.0021520900000000, 0.0069174000000000, 0.0091657000000000 ] - [ 0.0000573400000000, -0.0001003400000000, 0.0000816000000000 ] - [ -0.0000683400000000, -0.0000638300000000, -0.0002363600000000 ] - [ -0.0001381700000000, 0.0001984900000000, -0.0000338900000000 ] - [ -0.0000831200000000, 0.0000000000000000, 0.0006631500000000 ] - [ 0.0005620800000000, 0.0003918800000000, 0.0000258900000000 ] - [ -0.0000683400000000, 0.0000638300000000, -0.0002363600000000 ] - [ -0.0001381700000000, -0.0001984900000000, -0.0000338900000000 ] - [ -0.0000043700000000, 0.0000000000000000, -0.0000301500000000 ] - [ -0.0001026400000000, 0.0000514200000000, -0.0001653900000000 ] - [ -0.0001724800000000, -0.0000506500000000, -0.0001064700000000 ] - [ 0.0001425500000000, 0.0000510900000000, 0.0000834300000000 ] - [ 0.0000807600000000, -0.0001175300000000, 0.0001162900000000 ] - [ -0.0001724800000000, 0.0000506500000000, -0.0001064700000000 ] - [ 0.0000807600000000, 0.0001175300000000, 0.0001162900000000 ] - [ -0.0001582400000000, 0.0000128700000000, -0.0000112200000000 ] - [ 0.0000125300000000, 0.0002562900000000, 0.0000941600000000 ] - [ -0.0001582400000000, -0.0000128700000000, -0.0000112200000000 ] - [ -0.0001026400000000, -0.0000514200000000, -0.0001653900000000 ] - [ 0.0000125300000000, -0.0002562900000000, 0.0000941600000000 ] - [ 0.0001179200000000, 0.0000280900000000, -0.0000003400000000 ] - [ 0.0001207700000000, -0.0000057400000000, 0.0001010100000000 ] - [ 0.0000141000000000, 0.0000000000000000, 0.0000388900000000 ] - [ 0.0001425500000000, -0.0000510900000000, 0.0000834300000000 ] - [ 0.0001179200000000, -0.0000280900000000, -0.0000003400000000 ] - [ 0.0001207700000000, 0.0000057400000000, 0.0001010100000000 ]- atom: 65 displacement: [ 0.0028145825136884, 0.0000000000000000, -0.0095957347438140 ] forces: - [ -0.0000301300000000, 0.0000091200000000, 0.0000964100000000 ] - [ -0.0000301300000000, -0.0000091200000000, 0.0000964100000000 ] - [ 0.0000028600000000, -0.0000248400000000, -0.0000020200000000 ] - [ 0.0000028600000000, 0.0000248400000000, -0.0000020200000000 ] - [ -0.0023957200000000, -0.0004968700000000, 0.0082011900000000 ] - [ -0.0000921400000000, -0.0002565500000000, -0.0003787900000000 ] - [ -0.0000921400000000, 0.0002565500000000, -0.0003787900000000 ] - [ -0.0023957200000000, 0.0004968700000000, 0.0082011900000000 ] - [ 0.0002271800000000, -0.0003072900000000, 0.0000853500000000 ] - [ -0.0001286400000000, -0.0001299700000000, -0.0000780200000000 ] - [ -0.0001286400000000, 0.0001299700000000, -0.0000780200000000 ] - [ 0.0002271800000000, 0.0003072900000000, 0.0000853500000000 ] - [ 0.0000670700000000, -0.0001085700000000, -0.0000084700000000 ] - [ -0.0070371100000000, 0.0000000000000000, -0.0349476500000000 ] - [ 0.0001052000000000, -0.0000110900000000, -0.0000195100000000 ] - [ 0.0000883100000000, 0.0000075800000000, 0.0000828500000000 ] - [ 0.0017798200000000, -0.0000334900000000, -0.0062585200000000 ] - [ 0.0013189600000000, 0.0000000000000000, 0.0007790400000000 ] - [ -0.0013673800000000, 0.0000000000000000, -0.0001733400000000 ] - [ 0.0017798200000000, 0.0000334900000000, -0.0062585200000000 ] - [ 0.0000670700000000, 0.0001085700000000, -0.0000084700000000 ] - [ 0.0000883100000000, -0.0000075800000000, 0.0000828500000000 ] - [ 0.0270272100000000, 0.0000000000000000, -0.0302896600000000 ] - [ -0.0000305300000000, -0.0000296400000000, -0.0001133300000000 ] - [ -0.0000305300000000, 0.0000296400000000, -0.0001133300000000 ] - [ -0.0000860100000000, 0.0000644400000000, 0.0000589200000000 ] - [ -0.0000860100000000, -0.0000644400000000, 0.0000589200000000 ] - [ 0.0001052000000000, 0.0000110900000000, -0.0000195100000000 ] - [ 0.0000852800000000, -0.0000959400000000, 0.0000140000000000 ] - [ 0.0000281200000000, 0.0000000000000000, -0.0000392500000000 ] - [ -0.0002987400000000, -0.0001957900000000, 0.0000120100000000 ] - [ 0.0001880100000000, 0.0001380500000000, -0.0000212700000000 ] - [ -0.0000960300000000, 0.0000260800000000, -0.0000172300000000 ] - [ -0.0000612900000000, 0.0000000000000000, 0.0000520900000000 ] - [ -0.0000174900000000, 0.0000000000000000, 0.0000981700000000 ] - [ -0.0000960300000000, -0.0000260800000000, -0.0000172300000000 ] - [ 0.0000852800000000, 0.0000959400000000, 0.0000140000000000 ] - [ 0.0001880100000000, -0.0001380500000000, -0.0000212700000000 ] - [ -0.0000020500000000, 0.0000000000000000, -0.0001243500000000 ] - [ 0.0004212700000000, -0.0013994000000000, -0.0000956100000000 ] - [ 0.0004212700000000, 0.0013994000000000, -0.0000956100000000 ] - [ -0.0003204500000000, -0.0011911800000000, -0.0002875500000000 ] - [ -0.0003204500000000, 0.0011911800000000, -0.0002875500000000 ] - [ -0.0002987400000000, 0.0001957900000000, 0.0000120100000000 ] - [ 0.0003147200000000, 0.0005292300000000, 0.0003729700000000 ] - [ 0.0003147200000000, -0.0005292300000000, 0.0003729700000000 ] - [ 0.0000430100000000, 0.0001007500000000, 0.0000200900000000 ] - [ -0.0003080200000000, 0.0003919800000000, -0.0000479400000000 ] - [ -0.0003080200000000, -0.0003919800000000, -0.0000479400000000 ] - [ 0.0005491300000000, 0.0000000000000000, -0.0000797100000000 ] - [ -0.0006133300000000, 0.0000000000000000, -0.0002878400000000 ] - [ -0.0000535700000000, -0.0000809000000000, -0.0000045800000000 ] - [ -0.0000535700000000, 0.0000809000000000, -0.0000045800000000 ] - [ 0.0000430100000000, -0.0001007500000000, 0.0000200900000000 ] - [ 0.0000853000000000, -0.0000724900000000, 0.0000050100000000 ] - [ 0.0000853000000000, 0.0000724900000000, 0.0000050100000000 ] - [ 0.0012450600000000, -0.0002605500000000, -0.0025872100000000 ] - [ -0.0000604500000000, 0.0000630800000000, 0.0001431400000000 ] - [ -0.0000604500000000, -0.0000630800000000, 0.0001431400000000 ] - [ 0.0000544400000000, 0.0000000000000000, -0.0000530400000000 ] - [ -0.0000671500000000, 0.0000000000000000, 0.0000563300000000 ] - [ -0.0004875600000000, 0.0000079700000000, 0.0017640900000000 ] - [ -0.0004875600000000, -0.0000079700000000, 0.0017640900000000 ] - [ 0.0012450600000000, 0.0002605500000000, -0.0025872100000000 ] - [ -0.0314461800000000, 0.0000000000000000, 0.0996926900000000 ] - [ -0.0023469800000000, 0.0070606200000000, -0.0094819300000000 ] - [ 0.0004256400000000, 0.0002725300000000, -0.0017032800000000 ] - [ -0.0003016200000000, 0.0004048200000000, 0.0000723300000000 ] - [ 0.0001726300000000, 0.0000285400000000, -0.0001511500000000 ] - [ 0.0004256400000000, -0.0002725300000000, -0.0017032800000000 ] - [ 0.0001726300000000, -0.0000285400000000, -0.0001511500000000 ] - [ 0.0070121000000000, -0.0070393400000000, -0.0069295300000000 ] - [ 0.0002055400000000, 0.0002015100000000, 0.0000841300000000 ] - [ 0.0070121000000000, 0.0070393400000000, -0.0069295300000000 ] - [ -0.0023469800000000, -0.0070606200000000, -0.0094819300000000 ] - [ 0.0002055400000000, -0.0002015100000000, 0.0000841300000000 ] - [ 0.0000289300000000, 0.0000136200000000, -0.0000170000000000 ] - [ 0.0003491100000000, -0.0002494600000000, 0.0002635200000000 ] - [ 0.0001109300000000, 0.0000000000000000, -0.0005970300000000 ] - [ -0.0003016200000000, -0.0004048200000000, 0.0000723300000000 ] - [ 0.0000289300000000, -0.0000136200000000, -0.0000170000000000 ] - [ 0.0003491100000000, 0.0002494600000000, 0.0002635200000000 ] - [ -0.0000048300000000, 0.0000000000000000, -0.0000282000000000 ] - [ -0.0000996800000000, -0.0000074400000000, -0.0000634300000000 ] - [ -0.0000804600000000, 0.0003653000000000, -0.0000579800000000 ] - [ 0.0001081400000000, -0.0000288500000000, 0.0000132100000000 ] - [ -0.0000248800000000, 0.0000616000000000, 0.0001430600000000 ] - [ -0.0000804600000000, -0.0003653000000000, -0.0000579800000000 ] - [ -0.0000248800000000, -0.0000616000000000, 0.0001430600000000 ] - [ -0.0000932200000000, -0.0000330900000000, -0.0000840500000000 ] - [ 0.0002394100000000, 0.0000537500000000, 0.0000676400000000 ] - [ -0.0000932200000000, 0.0000330900000000, -0.0000840500000000 ] - [ -0.0000996800000000, 0.0000074400000000, -0.0000634300000000 ] - [ 0.0002394100000000, -0.0000537500000000, 0.0000676400000000 ] - [ -0.0001731700000000, -0.0000824300000000, -0.0002550300000000 ] - [ 0.0000800800000000, -0.0000378500000000, 0.0001245800000000 ] - [ -0.0000053500000000, 0.0000000000000000, 0.0000196600000000 ] - [ 0.0001081400000000, 0.0000288500000000, 0.0000132100000000 ] - [ -0.0001731700000000, 0.0000824300000000, -0.0002550300000000 ] - [ 0.0000800800000000, 0.0000378500000000, 0.0001245800000000 ]- atom: 66 displacement: [ 0.0099999418370919, 0.0000000000000000, 0.0000341065210551 ] forces: - [ 0.0000185900000000, -0.0012205300000000, 0.0000007800000000 ] - [ 0.0003278800000000, -0.0022664100000000, 0.0030656000000000 ] - [ 0.0000063000000000, 0.0000144600000000, -0.0000453500000000 ] - [ -0.0000013100000000, 0.0000657700000000, 0.0000027900000000 ] - [ 0.0010560400000000, -0.0003285300000000, 0.0019413500000000 ] - [ -0.0010530100000000, -0.0007496600000000, -0.0004581500000000 ] - [ -0.0036469100000000, 0.0015528400000000, -0.0013721700000000 ] - [ 0.0489779600000000, -0.0112372300000000, 0.0430323900000000 ] - [ -0.0002837300000000, -0.0000481000000000, -0.0000529400000000 ] - [ 0.0001038300000000, 0.0001885800000000, 0.0000488500000000 ] - [ -0.0002370800000000, 0.0004705200000000, -0.0000855600000000 ] - [ 0.0001833900000000, 0.0004498400000000, 0.0000728500000000 ] - [ -0.0011130500000000, -0.0012786200000000, -0.0003711400000000 ] - [ 0.0015419200000000, -0.0014353800000000, 0.0000155700000000 ] - [ 0.0002221600000000, 0.0001628200000000, 0.0001056000000000 ] - [ 0.0002796500000000, 0.0001293000000000, 0.0000480700000000 ] - [ 0.0128706600000000, -0.0013861700000000, 0.0010110600000000 ] - [ -0.0017896300000000, -0.0006170200000000, -0.0003013200000000 ] - [ -0.0026580300000000, -0.0006072200000000, -0.0004941400000000 ] - [ 0.0016118400000000, -0.0008931800000000, 0.0001356400000000 ] - [ -0.0016138600000000, 0.0000176600000000, -0.0005633700000000 ] - [ 0.0013638100000000, 0.0012302500000000, -0.0001687700000000 ] - [ 0.0146314200000000, -0.0071751400000000, 0.0007183200000000 ] - [ -0.0007698700000000, 0.0009513000000000, -0.0001067500000000 ] - [ -0.0000877700000000, -0.0000347200000000, -0.0000543600000000 ] - [ -0.0001448400000000, 0.0000240100000000, -0.0000333000000000 ] - [ -0.0012334900000000, 0.0007915400000000, -0.0005552800000000 ] - [ 0.0006045500000000, 0.0014542900000000, 0.0007857600000000 ] - [ 0.0000731600000000, -0.0004981000000000, 0.0000048300000000 ] - [ -0.0000201300000000, 0.0003142600000000, -0.0000675600000000 ] - [ -0.0013662100000000, -0.0001256600000000, -0.0001576600000000 ] - [ -0.0014047100000000, -0.0001023500000000, -0.0005689100000000 ] - [ -0.0001696500000000, 0.0002900700000000, -0.0000429000000000 ] - [ 0.0000788800000000, 0.0002403000000000, 0.0001322200000000 ] - [ 0.0001340300000000, 0.0002789400000000, 0.0000857600000000 ] - [ -0.0004364000000000, 0.0001708900000000, -0.0001107200000000 ] - [ 0.0000967400000000, 0.0003082900000000, 0.0000237100000000 ] - [ -0.0005692700000000, 0.0002655600000000, -0.0001697300000000 ] - [ -0.0000450000000000, 0.0003276600000000, -0.0001204000000000 ] - [ 0.0008007600000000, 0.0007144900000000, -0.0000276200000000 ] - [ 0.0019589200000000, -0.0001981900000000, 0.0003319800000000 ] - [ 0.0047691800000000, -0.0042949500000000, -0.0008508400000000 ] - [ 0.0003708300000000, 0.0011453200000000, 0.0001616100000000 ] - [ -0.0010140300000000, 0.0005336200000000, -0.0003427800000000 ] - [ -0.0000769800000000, 0.0000521100000000, -0.0000469600000000 ] - [ 0.0008246500000000, -0.0012488900000000, -0.0002700100000000 ] - [ -0.0001730700000000, -0.0001156900000000, -0.0000103800000000 ] - [ 0.0011060000000000, -0.0021370000000000, 0.0009353700000000 ] - [ -0.0001345800000000, 0.0000741400000000, -0.0000462500000000 ] - [ 0.0010894200000000, 0.0029898200000000, 0.0009321600000000 ] - [ 0.0013234600000000, 0.0009960200000000, 0.0001520900000000 ] - [ -0.0000728500000000, -0.0002028400000000, -0.0000225400000000 ] - [ -0.0000829800000000, -0.0002616000000000, -0.0000207500000000 ] - [ 0.0000085000000000, -0.0002139300000000, 0.0000112600000000 ] - [ 0.0010756300000000, 0.0001919500000000, -0.0002268300000000 ] - [ 0.0001526900000000, -0.0000745000000000, 0.0001162100000000 ] - [ 0.0017146500000000, -0.0005644200000000, -0.0005115000000000 ] - [ -0.0000014500000000, -0.0001197000000000, -0.0000215800000000 ] - [ 0.0007413100000000, 0.0007871000000000, 0.0017601300000000 ] - [ 0.0000802000000000, -0.0000967000000000, -0.0000427600000000 ] - [ -0.0000363700000000, -0.0000866000000000, 0.0000845400000000 ] - [ 0.0002377300000000, 0.0010441800000000, 0.0013555900000000 ] - [ 0.0005912700000000, -0.0027692700000000, 0.0043952700000000 ] - [ 0.0014794100000000, 0.0002174000000000, -0.0000645600000000 ] - [ -0.0047512500000000, 0.0014224100000000, 0.0009645500000000 ] - [ -0.0572334600000000, 0.0234284500000000, -0.0353667500000000 ] - [ -0.0007388700000000, 0.0001335100000000, -0.0003692500000000 ] - [ 0.0009245300000000, 0.0000462500000000, 0.0002760300000000 ] - [ -0.0031274400000000, -0.0019352200000000, 0.0001045600000000 ] - [ -0.0088761100000000, -0.0012098300000000, -0.0044347800000000 ] - [ -0.0006343000000000, 0.0002832100000000, -0.0000428700000000 ] - [ -0.0129026500000000, 0.0048537800000000, -0.0136160100000000 ] - [ 0.0008256200000000, 0.0006979400000000, 0.0002016300000000 ] - [ -0.0005201500000000, 0.0000556500000000, -0.0003302100000000 ] - [ -0.0036997800000000, -0.0021033500000000, -0.0027876500000000 ] - [ 0.0015670100000000, -0.0010698400000000, 0.0004846800000000 ] - [ 0.0010391700000000, -0.0003816800000000, 0.0001940000000000 ] - [ 0.0009651900000000, -0.0002178100000000, 0.0004372300000000 ] - [ 0.0014250300000000, 0.0004892800000000, 0.0001923200000000 ] - [ 0.0025593100000000, 0.0004300800000000, -0.0002767800000000 ] - [ 0.0008137000000000, 0.0006342300000000, 0.0003084200000000 ] - [ 0.0018907000000000, 0.0006545400000000, 0.0017009100000000 ] - [ 0.0000990200000000, -0.0001485000000000, -0.0000018100000000 ] - [ 0.0000027100000000, -0.0001458400000000, -0.0000020400000000 ] - [ 0.0006714400000000, 0.0001018600000000, 0.0002621100000000 ] - [ 0.0000381300000000, -0.0002053100000000, -0.0001266000000000 ] - [ 0.0001771800000000, -0.0002182000000000, 0.0001534100000000 ] - [ 0.0000556200000000, -0.0006101800000000, -0.0000075100000000 ] - [ 0.0009193300000000, -0.0000591100000000, 0.0002204500000000 ] - [ 0.0000401000000000, -0.0001879800000000, -0.0000916700000000 ] - [ -0.0004763400000000, -0.0003471000000000, -0.0000773700000000 ] - [ 0.0001516200000000, -0.0002852500000000, -0.0000432200000000 ] - [ 0.0001841800000000, -0.0003875900000000, 0.0000566400000000 ] - [ -0.0000026200000000, -0.0006600200000000, 0.0000022200000000 ] - [ -0.0002928800000000, -0.0003866600000000, -0.0001629500000000 ] - [ -0.0001132000000000, -0.0003397500000000, 0.0001765100000000 ] - [ -0.0001833000000000, -0.0000392400000000, -0.0000035300000000 ] - [ -0.0000081700000000, -0.0001931100000000, 0.0000823200000000 ] - [ -0.0030729800000000, 0.0019981000000000, -0.0011542500000000 ] - [ 0.0000127800000000, -0.0001547300000000, 0.0000157200000000 ]- atom: 66 displacement: [ -0.0099999418370919, 0.0000000000000000, -0.0000341065210551 ] forces: - [ -0.0000171600000000, 0.0011897600000000, -0.0000144300000000 ] - [ -0.0003654500000000, 0.0022752400000000, -0.0030899400000000 ] - [ -0.0000035800000000, -0.0000517100000000, 0.0000296100000000 ] - [ -0.0000031200000000, -0.0000267200000000, 0.0000125600000000 ] - [ -0.0006632500000000, -0.0000688000000000, -0.0017861300000000 ] - [ 0.0006535500000000, 0.0003556400000000, 0.0003108300000000 ] - [ 0.0032327800000000, -0.0011470900000000, 0.0012121200000000 ] - [ -0.0483041600000000, 0.0117784000000000, -0.0431665000000000 ] - [ 0.0006769900000000, -0.0003482200000000, 0.0002081600000000 ] - [ -0.0004982300000000, -0.0005807600000000, -0.0001959300000000 ] - [ -0.0001622100000000, -0.0000675700000000, -0.0000713200000000 ] - [ 0.0002164900000000, -0.0000490800000000, 0.0000748900000000 ] - [ 0.0012697300000000, 0.0011674500000000, 0.0003885600000000 ] - [ -0.0014020600000000, 0.0014191800000000, -0.0001130300000000 ] - [ -0.0002217500000000, -0.0001542700000000, -0.0000074900000000 ] - [ -0.0001883300000000, -0.0000740300000000, -0.0000768600000000 ] - [ -0.0132787500000000, 0.0015254400000000, -0.0007144700000000 ] - [ 0.0016668500000000, 0.0006179900000000, 0.0003967100000000 ] - [ 0.0026053600000000, 0.0006042400000000, 0.0006892400000000 ] - [ -0.0017634200000000, 0.0007854300000000, -0.0001524400000000 ] - [ 0.0017655800000000, 0.0000913000000000, 0.0005777800000000 ] - [ -0.0012730200000000, -0.0012813700000000, 0.0001344100000000 ] - [ -0.0144012300000000, 0.0068251600000000, -0.0007345400000000 ] - [ 0.0007678900000000, -0.0009555100000000, 0.0000092100000000 ] - [ 0.0000857600000000, 0.0000459900000000, -0.0000457200000000 ] - [ 0.0000525500000000, 0.0000292900000000, 0.0000645100000000 ] - [ 0.0011406400000000, -0.0008433800000000, 0.0005836800000000 ] - [ -0.0006216200000000, -0.0014222100000000, -0.0006783500000000 ] - [ 0.0000847800000000, 0.0003900800000000, 0.0000137800000000 ] - [ 0.0001325100000000, -0.0003103900000000, -0.0000283800000000 ] - [ 0.0013608600000000, 0.0001237200000000, 0.0002587300000000 ] - [ 0.0014938900000000, 0.0001486700000000, 0.0005338100000000 ] - [ 0.0000182600000000, -0.0001749700000000, 0.0000252000000000 ] - [ -0.0001911800000000, -0.0002345200000000, -0.0000353600000000 ] - [ -0.0001704200000000, -0.0002737600000000, 0.0001148700000000 ] - [ 0.0002796200000000, -0.0002800800000000, 0.0000916700000000 ] - [ 0.0000557400000000, -0.0001936900000000, -0.0000063400000000 ] - [ 0.0006610800000000, -0.0003148700000000, 0.0001415200000000 ] - [ 0.0000810400000000, -0.0003225300000000, -0.0000802300000000 ] - [ -0.0007966400000000, -0.0007160600000000, -0.0000721000000000 ] - [ -0.0019216300000000, 0.0002017700000000, -0.0004376800000000 ] - [ -0.0048002900000000, 0.0043797000000000, 0.0009289000000000 ] - [ -0.0004603000000000, -0.0011893700000000, -0.0001285500000000 ] - [ 0.0010113600000000, -0.0005346300000000, 0.0004378700000000 ] - [ 0.0001748300000000, -0.0002573400000000, 0.0001366100000000 ] - [ -0.0007368500000000, 0.0014624400000000, 0.0003528400000000 ] - [ 0.0002852200000000, 0.0002966500000000, 0.0000390200000000 ] - [ -0.0012000700000000, 0.0023358900000000, -0.0010210700000000 ] - [ 0.0000351800000000, -0.0002796200000000, -0.0000444500000000 ] - [ -0.0009631800000000, -0.0029854800000000, -0.0010507800000000 ] - [ -0.0014797400000000, -0.0010195300000000, -0.0000353200000000 ] - [ -0.0000353000000000, 0.0000169300000000, -0.0000091800000000 ] - [ -0.0000231500000000, 0.0004452500000000, -0.0000105000000000 ] - [ 0.0001003900000000, 0.0000278000000000, 0.0000211200000000 ] - [ -0.0009792600000000, -0.0003931900000000, 0.0003150400000000 ] - [ -0.0000544600000000, 0.0002795700000000, -0.0000233600000000 ] - [ -0.0016028500000000, 0.0007484300000000, 0.0005425900000000 ] - [ -0.0000974600000000, 0.0003249100000000, -0.0000699600000000 ] - [ -0.0008403500000000, -0.0009882800000000, -0.0018459100000000 ] - [ 0.0000460800000000, 0.0000651100000000, -0.0000933100000000 ] - [ -0.0000918200000000, 0.0000526500000000, 0.0000508700000000 ] - [ -0.0003390300000000, -0.0012208000000000, -0.0013706200000000 ] - [ -0.0006960600000000, 0.0029409800000000, -0.0044086700000000 ] - [ -0.0013448700000000, -0.0004001500000000, 0.0000956200000000 ] - [ 0.0046938000000000, -0.0014259500000000, -0.0010203400000000 ] - [ 0.0568906500000000, -0.0230721200000000, 0.0347571000000000 ] - [ 0.0004915800000000, 0.0001678300000000, 0.0002094500000000 ] - [ -0.0006708600000000, -0.0000297100000000, -0.0001852100000000 ] - [ 0.0031730800000000, 0.0018921300000000, 0.0001503600000000 ] - [ 0.0086087500000000, 0.0007708100000000, 0.0043639800000000 ] - [ 0.0006844300000000, -0.0002344700000000, 0.0002962300000000 ] - [ 0.0126215900000000, -0.0048833200000000, 0.0135835300000000 ] - [ -0.0005761100000000, -0.0003923500000000, -0.0000424600000000 ] - [ 0.0002670500000000, -0.0000354100000000, 0.0002405100000000 ] - [ 0.0034826800000000, 0.0020569600000000, 0.0025383700000000 ] - [ -0.0013162200000000, 0.0007675200000000, -0.0003233900000000 ] - [ -0.0010872600000000, 0.0003332000000000, -0.0004463300000000 ] - [ -0.0007624300000000, 0.0001706000000000, -0.0002033000000000 ] - [ -0.0014051700000000, -0.0004868600000000, -0.0001303700000000 ] - [ -0.0022968100000000, -0.0004464200000000, 0.0003649700000000 ] - [ -0.0008624700000000, -0.0005843700000000, -0.0005611000000000 ] - [ -0.0016815800000000, -0.0006065000000000, -0.0014602800000000 ] - [ -0.0001125400000000, 0.0001457800000000, -0.0000593000000000 ] - [ -0.0002011400000000, 0.0001899400000000, -0.0002298700000000 ] - [ -0.0009163900000000, 0.0002044600000000, -0.0004212200000000 ] - [ 0.0002144700000000, 0.0002197000000000, 0.0002144300000000 ] - [ -0.0001256400000000, 0.0001656600000000, 0.0001012800000000 ] - [ -0.0003012900000000, 0.0003032700000000, -0.0001512200000000 ] - [ -0.0008678400000000, 0.0001114600000000, 0.0000335400000000 ] - [ -0.0002886400000000, 0.0001668400000000, 0.0000007700000000 ] - [ 0.0007177600000000, 0.0006434500000000, 0.0002398300000000 ] - [ -0.0004033500000000, 0.0003048500000000, -0.0000488900000000 ] - [ -0.0003855900000000, 0.0003427800000000, -0.0002891700000000 ] - [ 0.0002490900000000, 0.0003525300000000, 0.0001579400000000 ] - [ 0.0002412600000000, 0.0003330400000000, -0.0000910900000000 ] - [ 0.0003159000000000, 0.0002917100000000, 0.0000600000000000 ] - [ 0.0001972700000000, 0.0000361700000000, 0.0000642900000000 ] - [ 0.0002571100000000, 0.0001720300000000, 0.0000089300000000 ] - [ 0.0030062800000000, -0.0019341600000000, 0.0008884900000000 ] - [ 0.0001858500000000, 0.0001978100000000, 0.0002161100000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001046400000000, 0.0004295100000000, -0.0003084100000000 ] - [ 0.0014025300000000, 0.0006953100000000, 0.0002269500000000 ] - [ -0.0000236500000000, -0.0004015500000000, -0.0000844600000000 ] - [ 0.0000032000000000, -0.0003657800000000, 0.0000151000000000 ] - [ -0.0006445100000000, -0.0020255700000000, -0.0028073500000000 ] - [ -0.0002199800000000, -0.0003351400000000, 0.0000052100000000 ] - [ 0.0004773100000000, 0.0011841400000000, 0.0002007200000000 ] - [ -0.0135887200000000, 0.0332425800000000, -0.0263585100000000 ] - [ -0.0005020000000000, -0.0004933900000000, -0.0000340800000000 ] - [ -0.0004052600000000, -0.0015454100000000, -0.0000417500000000 ] - [ 0.0000478500000000, -0.0010477600000000, -0.0000008900000000 ] - [ -0.0000335000000000, -0.0008830900000000, 0.0000194400000000 ] - [ 0.0002273800000000, 0.0002982100000000, 0.0002342800000000 ] - [ 0.0000341800000000, 0.0029220600000000, 0.0011922000000000 ] - [ -0.0002944600000000, -0.0013240400000000, -0.0000050600000000 ] - [ -0.0001867800000000, -0.0011633100000000, -0.0000797300000000 ] - [ -0.0015837900000000, 0.0085066700000000, 0.0009027400000000 ] - [ 0.0008524700000000, 0.0015466900000000, 0.0003778800000000 ] - [ 0.0022064600000000, 0.0015995700000000, 0.0003701800000000 ] - [ -0.0020036300000000, -0.0015169000000000, 0.0005226300000000 ] - [ 0.0002416800000000, 0.0019294900000000, 0.0001868800000000 ] - [ 0.0013258400000000, -0.0008482000000000, 0.0000284400000000 ] - [ -0.0109679700000000, 0.0124912000000000, -0.0000334400000000 ] - [ 0.0004434600000000, 0.0001598100000000, 0.0001904900000000 ] - [ 0.0000573000000000, -0.0008907000000000, -0.0000658800000000 ] - [ -0.0000451100000000, -0.0008926000000000, 0.0000439300000000 ] - [ 0.0004550000000000, 0.0000384300000000, 0.0000459400000000 ] - [ 0.0022606500000000, -0.0044086600000000, -0.0000468100000000 ] - [ -0.0001761000000000, -0.0022105400000000, -0.0000553600000000 ] - [ 0.0001696500000000, -0.0010541400000000, -0.0000156300000000 ] - [ -0.0003921900000000, 0.0017387800000000, -0.0001065600000000 ] - [ -0.0010489000000000, 0.0016107200000000, -0.0002515300000000 ] - [ -0.0000770800000000, -0.0013137400000000, 0.0000069000000000 ] - [ 0.0000596700000000, -0.0015588500000000, 0.0000911100000000 ] - [ 0.0000796700000000, -0.0014595900000000, 0.0000925900000000 ] - [ -0.0005161100000000, -0.0010647200000000, -0.0001607600000000 ] - [ 0.0000899300000000, -0.0015611100000000, -0.0000234800000000 ] - [ 0.0006453500000000, -0.0009939300000000, 0.0001529900000000 ] - [ 0.0001680800000000, -0.0011303700000000, -0.0000882400000000 ] - [ -0.0005588800000000, -0.0016668500000000, 0.0000093400000000 ] - [ -0.0040849600000000, 0.0020944800000000, 0.0008278400000000 ] - [ -0.0012502900000000, -0.0022319600000000, -0.0049212200000000 ] - [ -0.0001026500000000, -0.0024428000000000, 0.0000797600000000 ] - [ 0.0010404500000000, -0.0012350200000000, 0.0004278300000000 ] - [ 0.0002428700000000, 0.0004112500000000, 0.0001405000000000 ] - [ -0.0012005800000000, -0.0002481100000000, -0.0000079800000000 ] - [ -0.0004743800000000, 0.0011512500000000, 0.0002794900000000 ] - [ -0.0005960300000000, -0.0003998100000000, -0.0006342400000000 ] - [ 0.0001542800000000, 0.0003516500000000, 0.0000278300000000 ] - [ -0.0002612500000000, -0.0018355200000000, -0.0008546900000000 ] - [ 0.0009308900000000, -0.0006263200000000, 0.0007396700000000 ] - [ -0.0000488700000000, 0.0006410500000000, 0.0000144300000000 ] - [ -0.0003712000000000, 0.0006825000000000, -0.0002086800000000 ] - [ 0.0000365900000000, 0.0007406900000000, -0.0000197300000000 ] - [ 0.0020284200000000, 0.0006218400000000, -0.0002615200000000 ] - [ -0.0000890500000000, 0.0008453100000000, -0.0000289800000000 ] - [ -0.0021300300000000, 0.0011242300000000, 0.0005314600000000 ] - [ -0.0002051600000000, 0.0009519600000000, -0.0001341800000000 ] - [ 0.0016281500000000, 0.0018482400000000, 0.0027562800000000 ] - [ 0.0001306900000000, 0.0006879400000000, -0.0000259400000000 ] - [ 0.0000151600000000, 0.0007042400000000, 0.0001107300000000 ] - [ -0.0002954700000000, -0.0036086900000000, -0.0015372500000000 ] - [ -0.0008522200000000, 0.0034275700000000, -0.0046594000000000 ] - [ -0.0002460300000000, -0.0020712800000000, 0.0002774200000000 ] - [ 0.0031740000000000, 0.0009539800000000, -0.0063328400000000 ] - [ 0.0226053000000000, -0.0677752200000000, 0.0528289600000000 ] - [ 0.0001400600000000, 0.0016434500000000, 0.0002866200000000 ] - [ 0.0001958600000000, -0.0000508600000000, -0.0000473600000000 ] - [ -0.0022405700000000, -0.0007278400000000, 0.0037484600000000 ] - [ -0.0010774000000000, 0.0171841400000000, -0.0192968600000000 ] - [ 0.0003665500000000, 0.0009517800000000, 0.0001698100000000 ] - [ 0.0054943300000000, -0.0062170700000000, 0.0007590800000000 ] - [ -0.0002273400000000, 0.0005074200000000, 0.0000862500000000 ] - [ -0.0002380000000000, 0.0002207600000000, 0.0000618900000000 ] - [ 0.0019729900000000, 0.0035664400000000, 0.0016262300000000 ] - [ 0.0003860000000000, -0.0012829800000000, 0.0001868500000000 ] - [ 0.0003153500000000, -0.0009634700000000, -0.0001936700000000 ] - [ -0.0000926300000000, 0.0000928800000000, 0.0000518000000000 ] - [ -0.0008164000000000, -0.0008541300000000, 0.0000208100000000 ] - [ -0.0004668500000000, -0.0012912700000000, 0.0002341400000000 ] - [ -0.0006712100000000, 0.0003310100000000, -0.0005269100000000 ] - [ -0.0005232900000000, -0.0014186900000000, -0.0004976600000000 ] - [ -0.0000636000000000, 0.0009242500000000, -0.0000162900000000 ] - [ -0.0002658500000000, 0.0008266200000000, -0.0004179900000000 ] - [ -0.0000706800000000, -0.0002146600000000, -0.0000702000000000 ] - [ 0.0000157700000000, 0.0011389800000000, 0.0001124300000000 ] - [ 0.0000365500000000, 0.0009749800000000, 0.0000946900000000 ] - [ -0.0001023100000000, 0.0012415300000000, -0.0000684500000000 ] - [ -0.0002402000000000, -0.0001437700000000, 0.0000810200000000 ] - [ -0.0004252100000000, 0.0007731800000000, 0.0001286000000000 ] - [ 0.0012141500000000, 0.0019246800000000, -0.0000299700000000 ] - [ 0.0003576500000000, 0.0004187000000000, -0.0001376400000000 ] - [ 0.0002652800000000, 0.0004086200000000, 0.0001831900000000 ] - [ 0.0000409400000000, 0.0014438600000000, 0.0000707700000000 ] - [ 0.0001260900000000, 0.0012964100000000, -0.0000692000000000 ] - [ -0.0002158500000000, 0.0009579200000000, -0.0003082000000000 ] - [ -0.0000760200000000, 0.0011686900000000, 0.0000234400000000 ] - [ 0.0004679600000000, 0.0009370700000000, -0.0001359800000000 ] - [ -0.0017189700000000, 0.0023008400000000, -0.0003102400000000 ] - [ 0.0002745600000000, 0.0009298600000000, 0.0004369500000000 ]- atom: 66 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001027800000000, -0.0004728700000000, 0.0002969200000000 ] - [ -0.0014112300000000, -0.0006989500000000, -0.0001846200000000 ] - [ 0.0000269500000000, 0.0003687700000000, 0.0000684100000000 ] - [ -0.0000077200000000, 0.0004057600000000, 0.0000013800000000 ] - [ 0.0010275600000000, 0.0016482300000000, 0.0029871900000000 ] - [ -0.0001551400000000, -0.0000595100000000, -0.0001481300000000 ] - [ -0.0008825200000000, -0.0007785800000000, -0.0003635900000000 ] - [ 0.0140275900000000, -0.0330671400000000, 0.0261967300000000 ] - [ 0.0008944200000000, 0.0000963100000000, 0.0001886600000000 ] - [ 0.0000088200000000, 0.0011479800000000, -0.0001052600000000 ] - [ -0.0004357000000000, 0.0014497500000000, -0.0001525800000000 ] - [ 0.0004240300000000, 0.0012808600000000, 0.0001260600000000 ] - [ -0.0000833300000000, -0.0004254900000000, -0.0002235700000000 ] - [ 0.0000855400000000, -0.0029655500000000, -0.0013028000000000 ] - [ 0.0003140700000000, 0.0013409300000000, 0.0001082600000000 ] - [ 0.0002914800000000, 0.0012201000000000, 0.0000530400000000 ] - [ 0.0015127900000000, -0.0084315700000000, -0.0009517700000000 ] - [ -0.0009637900000000, -0.0015552900000000, -0.0002858800000000 ] - [ -0.0022631200000000, -0.0016081800000000, -0.0001662300000000 ] - [ 0.0018735900000000, 0.0013997700000000, -0.0005422900000000 ] - [ -0.0001026500000000, -0.0018151200000000, -0.0001784900000000 ] - [ -0.0012154500000000, 0.0008016200000000, -0.0000557900000000 ] - [ 0.0115591800000000, -0.0130768500000000, 0.0001394200000000 ] - [ -0.0004650100000000, -0.0001642100000000, -0.0002902600000000 ] - [ -0.0000751100000000, 0.0009031000000000, -0.0000373400000000 ] - [ -0.0000587100000000, 0.0009460300000000, -0.0000150000000000 ] - [ -0.0005657000000000, -0.0000854700000000, -0.0000254900000000 ] - [ -0.0022367000000000, 0.0044002800000000, 0.0001464000000000 ] - [ 0.0003257700000000, 0.0020917100000000, 0.0000696600000000 ] - [ -0.0000684100000000, 0.0010580900000000, -0.0000785800000000 ] - [ 0.0003991400000000, -0.0017258500000000, 0.0002057600000000 ] - [ 0.0011396400000000, -0.0015546800000000, 0.0002213500000000 ] - [ -0.0000699200000000, 0.0014354400000000, -0.0000198800000000 ] - [ -0.0001593400000000, 0.0015618500000000, 0.0000044400000000 ] - [ -0.0001076300000000, 0.0014629300000000, 0.0001155700000000 ] - [ 0.0003654400000000, 0.0009474300000000, 0.0001468500000000 ] - [ 0.0000564400000000, 0.0016834000000000, 0.0000366300000000 ] - [ -0.0005463200000000, 0.0009389800000000, -0.0001790600000000 ] - [ -0.0001396700000000, 0.0011345900000000, -0.0001187100000000 ] - [ 0.0005442400000000, 0.0016598600000000, -0.0001112200000000 ] - [ 0.0040760200000000, -0.0020594500000000, -0.0009298400000000 ] - [ 0.0012388700000000, 0.0024481600000000, 0.0049873600000000 ] - [ -0.0000019800000000, 0.0024034500000000, -0.0000554000000000 ] - [ -0.0010311700000000, 0.0012253600000000, -0.0003306100000000 ] - [ -0.0001462900000000, -0.0006162800000000, -0.0000546900000000 ] - [ 0.0012902100000000, 0.0004482700000000, 0.0000853100000000 ] - [ 0.0005818200000000, -0.0009663400000000, -0.0002436900000000 ] - [ 0.0005043400000000, 0.0005797500000000, 0.0005605200000000 ] - [ -0.0002548300000000, -0.0005564300000000, -0.0001151500000000 ] - [ 0.0003859700000000, 0.0018747900000000, 0.0007789800000000 ] - [ -0.0010598000000000, 0.0006351900000000, -0.0006541200000000 ] - [ -0.0000590600000000, -0.0008315400000000, -0.0000492300000000 ] - [ 0.0002645500000000, -0.0004984900000000, 0.0001740300000000 ] - [ 0.0000699600000000, -0.0009315400000000, 0.0000556300000000 ] - [ -0.0019157100000000, -0.0008197800000000, 0.0003430200000000 ] - [ 0.0001906800000000, -0.0006445700000000, 0.0001157500000000 ] - [ 0.0022470700000000, -0.0009380900000000, -0.0005018700000000 ] - [ 0.0001065400000000, -0.0007531400000000, 0.0000498100000000 ] - [ -0.0017209300000000, -0.0020389200000000, -0.0028184600000000 ] - [ -0.0000122100000000, -0.0006850400000000, -0.0000858000000000 ] - [ -0.0001342200000000, -0.0007021700000000, 0.0000012400000000 ] - [ 0.0001900000000000, 0.0034329300000000, 0.0015178800000000 ] - [ 0.0007500500000000, -0.0032627900000000, 0.0046601800000000 ] - [ 0.0003542000000000, 0.0018881600000000, -0.0002440800000000 ] - [ -0.0032112100000000, -0.0009935500000000, 0.0063631300000000 ] - [ -0.0235492100000000, 0.0682872300000000, -0.0529257000000000 ] - [ -0.0003955900000000, -0.0013356000000000, -0.0004551400000000 ] - [ 0.0000582900000000, 0.0000711000000000, 0.0001430500000000 ] - [ 0.0022875000000000, 0.0006652900000000, -0.0034609900000000 ] - [ 0.0008501700000000, -0.0172051000000000, 0.0187324900000000 ] - [ -0.0003216300000000, -0.0009028900000000, 0.0000875400000000 ] - [ -0.0058310600000000, 0.0062388700000000, -0.0008115900000000 ] - [ 0.0004844500000000, -0.0001934700000000, 0.0000772500000000 ] - [ -0.0000102100000000, -0.0001976000000000, -0.0001576900000000 ] - [ -0.0021799800000000, -0.0036523800000000, -0.0018572800000000 ] - [ -0.0001221600000000, 0.0009598700000000, -0.0000200900000000 ] - [ -0.0003578400000000, 0.0009091700000000, -0.0000600900000000 ] - [ 0.0002988600000000, -0.0001392700000000, 0.0001778000000000 ] - [ 0.0008362600000000, 0.0008611100000000, 0.0000379100000000 ] - [ 0.0007393900000000, 0.0012721700000000, -0.0001455300000000 ] - [ 0.0006280800000000, -0.0002769400000000, 0.0002730900000000 ] - [ 0.0007398700000000, 0.0014678600000000, 0.0007452300000000 ] - [ 0.0000520800000000, -0.0009264800000000, -0.0000433000000000 ] - [ 0.0000640400000000, -0.0007840200000000, 0.0001872700000000 ] - [ -0.0001778100000000, 0.0005266500000000, -0.0000901100000000 ] - [ 0.0002358000000000, -0.0011218200000000, -0.0000208600000000 ] - [ 0.0000126300000000, -0.0010273500000000, 0.0001625100000000 ] - [ -0.0001513100000000, -0.0015638900000000, -0.0000936400000000 ] - [ 0.0002947300000000, 0.0001913900000000, 0.0001755600000000 ] - [ 0.0001735100000000, -0.0007959400000000, -0.0002198400000000 ] - [ -0.0009575000000000, -0.0016094600000000, 0.0001890400000000 ] - [ -0.0006073600000000, -0.0004015000000000, 0.0000440600000000 ] - [ -0.0004651300000000, -0.0004569400000000, -0.0004112000000000 ] - [ 0.0002135200000000, -0.0017656600000000, 0.0000933100000000 ] - [ -0.0001774000000000, -0.0013516800000000, -0.0001875200000000 ] - [ 0.0004151300000000, -0.0010047800000000, 0.0005363300000000 ] - [ 0.0000862800000000, -0.0011709200000000, 0.0000364000000000 ] - [ -0.0002160600000000, -0.0009598500000000, 0.0002291000000000 ] - [ 0.0016584500000000, -0.0022559900000000, 0.0000516600000000 ] - [ -0.0000724200000000, -0.0008876100000000, -0.0002051300000000 ]- atom: 66 displacement: [ -0.0028145825136884, 0.0000000000000000, 0.0095957347438140 ] forces: - [ -0.0000061700000000, -0.0002566000000000, -0.0002233200000000 ] - [ -0.0004517600000000, -0.0034872900000000, 0.0010026800000000 ] - [ -0.0000016300000000, 0.0000459600000000, 0.0000077500000000 ] - [ -0.0000033100000000, 0.0000899300000000, 0.0000037700000000 ] - [ 0.0003968600000000, -0.0002056800000000, 0.0011223200000000 ] - [ -0.0000943900000000, -0.0004594100000000, -0.0000315500000000 ] - [ -0.0028776300000000, 0.0014665500000000, -0.0010720500000000 ] - [ 0.0309545000000000, -0.0196438700000000, 0.0997923800000000 ] - [ 0.0001031700000000, -0.0001644000000000, 0.0000472600000000 ] - [ 0.0001424300000000, 0.0002979700000000, -0.0000821500000000 ] - [ -0.0002462000000000, 0.0005179800000000, -0.0000976300000000 ] - [ 0.0002591900000000, 0.0004740700000000, 0.0000620300000000 ] - [ -0.0001635300000000, -0.0004005000000000, -0.0000432200000000 ] - [ 0.0026298200000000, -0.0048998600000000, -0.0033458300000000 ] - [ 0.0000562100000000, 0.0003718300000000, 0.0000668200000000 ] - [ 0.0000938500000000, 0.0004072700000000, -0.0000060600000000 ] - [ -0.0028932400000000, -0.0000572200000000, -0.0092415300000000 ] - [ -0.0005672600000000, -0.0006973500000000, 0.0000185300000000 ] - [ -0.0009706600000000, -0.0006948700000000, -0.0001637600000000 ] - [ 0.0013645900000000, 0.0017865000000000, 0.0002434400000000 ] - [ 0.0008261800000000, -0.0003281700000000, 0.0002649600000000 ] - [ 0.0010405200000000, -0.0015252600000000, 0.0002985400000000 ] - [ -0.0024239600000000, 0.0038543400000000, 0.0022691700000000 ] - [ -0.0001160300000000, 0.0001619200000000, -0.0001813100000000 ] - [ 0.0000136600000000, 0.0002446100000000, -0.0000272600000000 ] - [ 0.0000070600000000, 0.0002239900000000, 0.0000197900000000 ] - [ -0.0005356600000000, 0.0000912800000000, -0.0001029200000000 ] - [ -0.0016280300000000, 0.0048163600000000, 0.0010667500000000 ] - [ 0.0001895300000000, 0.0000182300000000, 0.0000778900000000 ] - [ -0.0000272200000000, 0.0002621900000000, -0.0000590200000000 ] - [ -0.0003560400000000, -0.0000042100000000, 0.0001855900000000 ] - [ -0.0003480600000000, -0.0000004500000000, -0.0003778000000000 ] - [ -0.0000886700000000, 0.0003687100000000, -0.0000064900000000 ] - [ -0.0000597900000000, 0.0005473000000000, 0.0000807700000000 ] - [ 0.0000382000000000, 0.0003871800000000, 0.0001118900000000 ] - [ -0.0001471600000000, 0.0000511200000000, -0.0000819600000000 ] - [ 0.0000826900000000, 0.0004393800000000, 0.0000189000000000 ] - [ -0.0001183200000000, 0.0001885900000000, -0.0000724100000000 ] - [ -0.0001156700000000, 0.0003444000000000, -0.0001077700000000 ] - [ 0.0000375800000000, 0.0003161700000000, -0.0000892600000000 ] - [ 0.0037748300000000, 0.0023441100000000, -0.0041944300000000 ] - [ -0.0016862900000000, -0.0051321400000000, 0.0044009300000000 ] - [ -0.0001249300000000, 0.0006306600000000, -0.0000394900000000 ] - [ -0.0003381100000000, 0.0003207700000000, -0.0000351300000000 ] - [ -0.0000514400000000, -0.0003468400000000, -0.0000757700000000 ] - [ 0.0004604900000000, -0.0004313900000000, -0.0011992600000000 ] - [ 0.0003466400000000, -0.0003510100000000, -0.0005600200000000 ] - [ -0.0004084100000000, 0.0001307500000000, 0.0015445000000000 ] - [ -0.0001747600000000, -0.0002600200000000, -0.0000502800000000 ] - [ -0.0009131800000000, 0.0003597900000000, 0.0023898900000000 ] - [ -0.0002476400000000, 0.0007473800000000, -0.0008300200000000 ] - [ -0.0000457500000000, -0.0002850100000000, -0.0000332200000000 ] - [ 0.0000660300000000, -0.0001219300000000, 0.0001848900000000 ] - [ 0.0000573200000000, -0.0003206500000000, 0.0000232000000000 ] - [ 0.0009360600000000, 0.0004241900000000, -0.0001955000000000 ] - [ 0.0000936100000000, -0.0000667400000000, 0.0000643700000000 ] - [ 0.0011598200000000, -0.0003823700000000, -0.0003168900000000 ] - [ -0.0000032900000000, -0.0000957600000000, -0.0000170800000000 ] - [ -0.0003545500000000, -0.0003775900000000, 0.0005698100000000 ] - [ 0.0000346000000000, -0.0001349200000000, -0.0000401400000000 ] - [ -0.0000825600000000, -0.0001567400000000, 0.0000167200000000 ] - [ 0.0006008900000000, 0.0004689500000000, 0.0011590100000000 ] - [ -0.0001427200000000, 0.0000117800000000, 0.0013182500000000 ] - [ 0.0000474200000000, 0.0004198000000000, -0.0001082900000000 ] - [ 0.0003183600000000, -0.0067011900000000, 0.0087720500000000 ] - [ -0.0158863900000000, 0.0431116000000000, -0.1438780300000000 ] - [ -0.0001926400000000, -0.0002881900000000, -0.0002053700000000 ] - [ 0.0000573300000000, 0.0001323500000000, 0.0001112200000000 ] - [ 0.0010094700000000, 0.0056988700000000, 0.0057010400000000 ] - [ -0.0040645400000000, -0.0216404900000000, 0.0044198400000000 ] - [ 0.0000790700000000, -0.0003045400000000, 0.0001817500000000 ] - [ -0.0092435600000000, 0.0020067500000000, 0.0287664900000000 ] - [ 0.0001762500000000, 0.0000911300000000, 0.0000528400000000 ] - [ -0.0002381100000000, 0.0001790400000000, 0.0003528700000000 ] - [ -0.0016382400000000, -0.0011011900000000, -0.0011221500000000 ] - [ 0.0008761200000000, -0.0006938500000000, 0.0003613000000000 ] - [ -0.0000642700000000, 0.0003243500000000, -0.0001680900000000 ] - [ 0.0001656500000000, -0.0000295200000000, 0.0000885700000000 ] - [ 0.0001310300000000, 0.0001056400000000, -0.0000063100000000 ] - [ 0.0018526700000000, 0.0003496700000000, -0.0007104000000000 ] - [ 0.0002724200000000, 0.0001427700000000, 0.0000113500000000 ] - [ 0.0011121700000000, 0.0004382400000000, 0.0016988300000000 ] - [ 0.0000979700000000, -0.0001668900000000, -0.0000509000000000 ] - [ -0.0000248200000000, -0.0002191500000000, -0.0000178800000000 ] - [ 0.0001306000000000, 0.0001124300000000, 0.0000191000000000 ] - [ -0.0003347400000000, -0.0004335600000000, -0.0000088600000000 ] - [ 0.0000006000000000, -0.0002295300000000, 0.0001058100000000 ] - [ -0.0001368300000000, -0.0004999900000000, -0.0000571300000000 ] - [ 0.0002604300000000, 0.0000371800000000, 0.0001696300000000 ] - [ -0.0000606900000000, -0.0002045700000000, -0.0000827100000000 ] - [ -0.0004755600000000, -0.0008546100000000, 0.0008351300000000 ] - [ -0.0001038100000000, -0.0000926500000000, -0.0000265200000000 ] - [ -0.0000174200000000, -0.0002052500000000, -0.0000688400000000 ] - [ 0.0001760200000000, -0.0005270500000000, 0.0000983900000000 ] - [ -0.0000398800000000, -0.0003401600000000, -0.0001515600000000 ] - [ 0.0002190100000000, -0.0003363000000000, 0.0005086700000000 ] - [ -0.0000660800000000, -0.0002130700000000, -0.0000069000000000 ] - [ 0.0000233100000000, -0.0002737700000000, 0.0000847700000000 ] - [ -0.0014041300000000, 0.0005156600000000, -0.0011410100000000 ] - [ 0.0000334600000000, -0.0002339400000000, 0.0000390300000000 ]- atom: 66 displacement: [ 0.0028145825136884, 0.0000000000000000, -0.0095957347438140 ] forces: - [ 0.0000090100000000, 0.0002240500000000, 0.0002020700000000 ] - [ 0.0004237100000000, 0.0034986300000000, -0.0010065000000000 ] - [ 0.0000041400000000, -0.0000784400000000, -0.0000222200000000 ] - [ -0.0000009800000000, -0.0000611300000000, 0.0000129500000000 ] - [ 0.0000225000000000, -0.0002064300000000, -0.0009818900000000 ] - [ -0.0003168300000000, 0.0000464200000000, -0.0001182500000000 ] - [ 0.0024439400000000, -0.0010359700000000, 0.0009049100000000 ] - [ -0.0326734600000000, 0.0220313900000000, -0.1053227000000000 ] - [ 0.0003113200000000, -0.0002480100000000, 0.0001146900000000 ] - [ -0.0005624300000000, -0.0007198100000000, -0.0000696500000000 ] - [ -0.0001750000000000, -0.0000986200000000, -0.0000662700000000 ] - [ 0.0001577600000000, -0.0000555900000000, 0.0000924200000000 ] - [ 0.0003220400000000, 0.0002814900000000, 0.0000614600000000 ] - [ -0.0025657900000000, 0.0049355100000000, 0.0032355900000000 ] - [ -0.0000388900000000, -0.0003602100000000, 0.0000293800000000 ] - [ -0.0000007900000000, -0.0003556600000000, -0.0000142500000000 ] - [ 0.0023505300000000, 0.0002056900000000, 0.0097139900000000 ] - [ 0.0004627700000000, 0.0007024500000000, 0.0000733700000000 ] - [ 0.0009467200000000, 0.0006994500000000, 0.0003738500000000 ] - [ -0.0015158800000000, -0.0018839600000000, -0.0002435600000000 ] - [ -0.0006527000000000, 0.0004541300000000, -0.0002404600000000 ] - [ -0.0009409300000000, 0.0014504400000000, -0.0003036700000000 ] - [ 0.0023675700000000, -0.0038077900000000, -0.0024081300000000 ] - [ 0.0001057200000000, -0.0001779100000000, 0.0000858200000000 ] - [ -0.0000307300000000, -0.0002324700000000, -0.0000667700000000 ] - [ -0.0000996200000000, -0.0001745800000000, 0.0000018300000000 ] - [ 0.0004448700000000, -0.0001475800000000, 0.0001293200000000 ] - [ 0.0016614600000000, -0.0048476800000000, -0.0009776100000000 ] - [ -0.0000344500000000, -0.0001380400000000, -0.0000633200000000 ] - [ 0.0001327000000000, -0.0002651700000000, -0.0000293000000000 ] - [ 0.0003764100000000, 0.0000162000000000, -0.0000870200000000 ] - [ 0.0004494600000000, 0.0000532600000000, 0.0003568700000000 ] - [ -0.0000691300000000, -0.0002508400000000, -0.0000086200000000 ] - [ -0.0000448900000000, -0.0005523200000000, 0.0000082800000000 ] - [ -0.0000770900000000, -0.0003923400000000, 0.0000998300000000 ] - [ -0.0000085000000000, -0.0001734700000000, 0.0000673600000000 ] - [ 0.0000753000000000, -0.0003213500000000, -0.0000027700000000 ] - [ 0.0002140100000000, -0.0002439800000000, 0.0000538300000000 ] - [ 0.0001544900000000, -0.0003467000000000, -0.0001017800000000 ] - [ -0.0000650200000000, -0.0003316400000000, -0.0000068400000000 ] - [ -0.0038250900000000, -0.0023605500000000, 0.0040859100000000 ] - [ 0.0015573700000000, 0.0052201200000000, -0.0043354100000000 ] - [ 0.0000270300000000, -0.0006923800000000, 0.0000611000000000 ] - [ 0.0003624700000000, -0.0003400300000000, 0.0001331200000000 ] - [ 0.0001459900000000, 0.0001473000000000, 0.0001621100000000 ] - [ -0.0003638100000000, 0.0006288400000000, 0.0012765900000000 ] - [ -0.0002461500000000, 0.0005442100000000, 0.0005937900000000 ] - [ 0.0002967900000000, 0.0000781300000000, -0.0016276300000000 ] - [ 0.0000796700000000, 0.0000612900000000, -0.0000369800000000 ] - [ 0.0010184000000000, -0.0003631900000000, -0.0024685300000000 ] - [ 0.0001419200000000, -0.0007430100000000, 0.0009241200000000 ] - [ -0.0000557100000000, 0.0000972100000000, 0.0000007700000000 ] - [ -0.0001706800000000, 0.0003138200000000, -0.0002189800000000 ] - [ 0.0000449600000000, 0.0001336700000000, 0.0000114600000000 ] - [ -0.0008448500000000, -0.0006277200000000, 0.0002910900000000 ] - [ 0.0000004200000000, 0.0002671100000000, 0.0000258400000000 ] - [ -0.0010671900000000, 0.0005756100000000, 0.0003561700000000 ] - [ -0.0000920000000000, 0.0002967600000000, -0.0000726400000000 ] - [ 0.0002529900000000, 0.0001625900000000, -0.0006864900000000 ] - [ 0.0000877000000000, 0.0001467400000000, -0.0000751700000000 ] - [ -0.0000377500000000, 0.0001706400000000, 0.0000984200000000 ] - [ -0.0006790900000000, -0.0006686800000000, -0.0011869100000000 ] - [ 0.0000408700000000, 0.0002016800000000, -0.0014000200000000 ] - [ 0.0000559800000000, -0.0006114500000000, 0.0001483100000000 ] - [ -0.0003240000000000, 0.0065336200000000, -0.0087441700000000 ] - [ 0.0183260500000000, -0.0454088100000000, 0.1491523600000000 ] - [ -0.0000621400000000, 0.0005993600000000, 0.0000444500000000 ] - [ 0.0001998300000000, -0.0001132300000000, -0.0000201800000000 ] - [ -0.0009607900000000, -0.0056443600000000, -0.0054086700000000 ] - [ 0.0037809500000000, 0.0215947600000000, -0.0046355500000000 ] - [ -0.0000259300000000, 0.0003540800000000, 0.0000762900000000 ] - [ 0.0090500400000000, -0.0019899900000000, -0.0293584600000000 ] - [ 0.0000771400000000, 0.0002197400000000, 0.0001115000000000 ] - [ -0.0000321200000000, -0.0001738300000000, -0.0004321200000000 ] - [ 0.0014467700000000, 0.0010755800000000, 0.0009028400000000 ] - [ -0.0006183800000000, 0.0003773500000000, -0.0001954600000000 ] - [ 0.0000116400000000, -0.0003736700000000, -0.0000878800000000 ] - [ 0.0000366600000000, -0.0000149400000000, 0.0001452100000000 ] - [ -0.0001247100000000, -0.0001131600000000, 0.0000676900000000 ] - [ -0.0015903700000000, -0.0003738300000000, 0.0007999300000000 ] - [ -0.0003223600000000, -0.0000895900000000, -0.0002700700000000 ] - [ -0.0009076200000000, -0.0003986300000000, -0.0014594300000000 ] - [ -0.0001118700000000, 0.0001675000000000, -0.0000091100000000 ] - [ -0.0001806000000000, 0.0002649500000000, -0.0002149800000000 ] - [ -0.0003923500000000, 0.0001999400000000, -0.0001849600000000 ] - [ 0.0005916100000000, 0.0004584900000000, 0.0001035700000000 ] - [ 0.0000461700000000, 0.0001801400000000, 0.0001513200000000 ] - [ -0.0001210000000000, 0.0001937200000000, -0.0001061900000000 ] - [ -0.0002164700000000, 0.0000148000000000, 0.0000856200000000 ] - [ -0.0001967400000000, 0.0001856600000000, -0.0000083300000000 ] - [ 0.0007375100000000, 0.0011869300000000, -0.0006701900000000 ] - [ -0.0001548600000000, 0.0001133100000000, -0.0000642000000000 ] - [ -0.0001879600000000, 0.0001609200000000, -0.0001663100000000 ] - [ 0.0000822800000000, 0.0002166900000000, 0.0000681600000000 ] - [ -0.0000059600000000, 0.0002909600000000, -0.0001038200000000 ] - [ -0.0000129000000000, 0.0002966000000000, -0.0002764700000000 ] - [ 0.0000804600000000, 0.0002142700000000, 0.0000680500000000 ] - [ 0.0002368100000000, 0.0002567300000000, 0.0000062200000000 ] - [ 0.0013787600000000, -0.0004733900000000, 0.0008976600000000 ] - [ 0.0001728900000000, 0.0002812100000000, 0.0001993400000000 ]- atom: 67 displacement: [ 0.0099999418370919, 0.0000000000000000, 0.0000341065210551 ] forces: - [ -0.0018444400000000, 0.0009966600000000, -0.0005258300000000 ] - [ -0.0000149000000000, 0.0008648300000000, 0.0000122400000000 ] - [ 0.0000037400000000, 0.0001833900000000, -0.0000098600000000 ] - [ -0.0000770300000000, 0.0002501500000000, -0.0000947500000000 ] - [ 0.0554316200000000, -0.0490510500000000, 0.0072476500000000 ] - [ -0.0046928100000000, -0.0020547100000000, -0.0013009200000000 ] - [ -0.0006859500000000, 0.0005582500000000, -0.0002632800000000 ] - [ 0.0008636500000000, 0.0005285400000000, 0.0000943500000000 ] - [ 0.0000276600000000, 0.0000459400000000, -0.0000187300000000 ] - [ -0.0000148900000000, 0.0000196400000000, -0.0000738900000000 ] - [ 0.0008198500000000, 0.0038091800000000, -0.0017145500000000 ] - [ -0.0006991100000000, 0.0005855700000000, -0.0003410000000000 ] - [ -0.0013767200000000, -0.0004683200000000, -0.0004386500000000 ] - [ 0.0007441900000000, -0.0015966200000000, -0.0001853700000000 ] - [ 0.0147262200000000, 0.0117096000000000, 0.0033392500000000 ] - [ 0.0030817900000000, 0.0008383600000000, 0.0020050500000000 ] - [ 0.0007517200000000, 0.0004197900000000, 0.0003173700000000 ] - [ -0.0012024000000000, -0.0006805300000000, -0.0004249800000000 ] - [ -0.0014029600000000, -0.0007593100000000, -0.0000414700000000 ] - [ 0.0016256600000000, -0.0021915900000000, 0.0022101300000000 ] - [ -0.0009306400000000, 0.0007230400000000, -0.0002758000000000 ] - [ 0.0001307300000000, 0.0002272300000000, -0.0000064800000000 ] - [ 0.0017546100000000, -0.0001081700000000, 0.0014314600000000 ] - [ -0.0000369500000000, 0.0002377600000000, -0.0000730800000000 ] - [ -0.0015141100000000, -0.0005884400000000, -0.0005328600000000 ] - [ -0.0020513100000000, -0.0006145700000000, -0.0003870300000000 ] - [ -0.0000842900000000, 0.0002728500000000, 0.0000297600000000 ] - [ 0.0000556900000000, 0.0002083100000000, 0.0000824800000000 ] - [ 0.0001711600000000, 0.0003488100000000, 0.0000602300000000 ] - [ -0.0002935400000000, 0.0000383500000000, -0.0001925900000000 ] - [ -0.0001566500000000, 0.0001053400000000, -0.0000542700000000 ] - [ -0.0001380900000000, 0.0001452300000000, 0.0000033400000000 ] - [ -0.0012547300000000, 0.0008778100000000, -0.0001052700000000 ] - [ 0.0001553100000000, -0.0005184700000000, 0.0002725500000000 ] - [ 0.0006154300000000, 0.0002337500000000, 0.0003197100000000 ] - [ -0.0002099000000000, 0.0003395300000000, -0.0000267500000000 ] - [ 0.0006895200000000, 0.0013470400000000, 0.0010641500000000 ] - [ -0.0026095700000000, -0.0005800500000000, -0.0004313400000000 ] - [ -0.0004773500000000, -0.0000552300000000, -0.0001362500000000 ] - [ 0.0125241100000000, 0.0002779400000000, 0.0004025000000000 ] - [ 0.0001006600000000, 0.0000444800000000, -0.0000041300000000 ] - [ 0.0000726300000000, 0.0001462800000000, 0.0000430900000000 ] - [ 0.0073236700000000, 0.0003416000000000, 0.0034702300000000 ] - [ -0.0033079200000000, -0.0003332500000000, -0.0014760300000000 ] - [ 0.0043736300000000, 0.0013038600000000, -0.0023713100000000 ] - [ 0.0000088300000000, -0.0000990300000000, 0.0000105800000000 ] - [ 0.0000194300000000, -0.0000476300000000, -0.0000484000000000 ] - [ -0.0000568300000000, -0.0001140000000000, -0.0000348200000000 ] - [ 0.0011225100000000, 0.0010246600000000, 0.0015385500000000 ] - [ 0.0004869600000000, -0.0021212800000000, 0.0023064000000000 ] - [ 0.0014018300000000, -0.0019565800000000, -0.0017042700000000 ] - [ 0.0002440700000000, 0.0003263700000000, 0.0004441800000000 ] - [ -0.0000362800000000, -0.0000376900000000, -0.0000144400000000 ] - [ 0.0008964100000000, 0.0008377400000000, -0.0010922900000000 ] - [ 0.0000864300000000, -0.0002476300000000, 0.0000519100000000 ] - [ 0.0006789700000000, -0.0000619500000000, 0.0004976300000000 ] - [ 0.0006415100000000, 0.0009925300000000, 0.0004405200000000 ] - [ 0.0038632100000000, -0.0048550700000000, -0.0000903200000000 ] - [ -0.0000551500000000, -0.0002431300000000, -0.0000459200000000 ] - [ 0.0001193400000000, -0.0003348600000000, -0.0001044700000000 ] - [ -0.0000535500000000, -0.0004128200000000, 0.0001906900000000 ] - [ -0.0000970600000000, -0.0000403600000000, -0.0002691900000000 ] - [ 0.0020239000000000, 0.0052286000000000, -0.0013073800000000 ] - [ 0.0000392000000000, 0.0000240800000000, 0.0000643200000000 ] - [ -0.0003017200000000, 0.0004247300000000, -0.0006917800000000 ] - [ -0.0007103900000000, 0.0002884400000000, -0.0003523600000000 ] - [ -0.0714415500000000, 0.0284055800000000, 0.0006529700000000 ] - [ 0.0022120200000000, 0.0004064900000000, -0.0002365600000000 ] - [ -0.0002266300000000, -0.0004473700000000, 0.0000476300000000 ] - [ -0.0003810300000000, -0.0004029500000000, -0.0001324500000000 ] - [ -0.0082595100000000, 0.0014153900000000, -0.0034996200000000 ] - [ -0.0009265600000000, 0.0005009400000000, -0.0001095400000000 ] - [ 0.0023481500000000, 0.0011930900000000, 0.0004248100000000 ] - [ -0.0101789400000000, 0.0126564500000000, -0.0024420100000000 ] - [ -0.0088263500000000, 0.0009551700000000, -0.0067735300000000 ] - [ 0.0003384500000000, -0.0004475600000000, 0.0001569500000000 ] - [ 0.0003741600000000, -0.0006639600000000, -0.0000245300000000 ] - [ 0.0015323600000000, 0.0002375400000000, 0.0013057100000000 ] - [ 0.0010695100000000, -0.0000193100000000, 0.0002651200000000 ] - [ 0.0007938900000000, 0.0002784600000000, 0.0001905600000000 ] - [ 0.0018849000000000, 0.0004150500000000, 0.0008754700000000 ] - [ 0.0007981700000000, 0.0003779200000000, 0.0003666100000000 ] - [ 0.0005238000000000, -0.0005233300000000, 0.0000756200000000 ] - [ 0.0007003700000000, 0.0000734800000000, 0.0003984000000000 ] - [ -0.0000151000000000, -0.0000817700000000, -0.0000096000000000 ] - [ -0.0000207400000000, 0.0000063700000000, -0.0000071100000000 ] - [ 0.0015232600000000, -0.0001951900000000, 0.0003327300000000 ] - [ 0.0010464600000000, -0.0006380500000000, 0.0003909800000000 ] - [ 0.0001666900000000, -0.0002275400000000, 0.0001163400000000 ] - [ 0.0006448500000000, -0.0000508700000000, -0.0001353600000000 ] - [ 0.0000078000000000, -0.0000461000000000, 0.0000349200000000 ] - [ -0.0000363400000000, -0.0000856800000000, 0.0000164200000000 ] - [ 0.0000829300000000, -0.0000456100000000, -0.0000672700000000 ] - [ 0.0007865500000000, -0.0073971400000000, -0.0015757200000000 ] - [ -0.0029940100000000, -0.0019070100000000, -0.0009529500000000 ] - [ -0.0000307200000000, -0.0001076900000000, 0.0001232800000000 ] - [ -0.0004766500000000, -0.0005625800000000, -0.0002285500000000 ] - [ -0.0036477600000000, 0.0011940100000000, 0.0005759400000000 ] - [ -0.0001581100000000, -0.0001998000000000, -0.0001406000000000 ] - [ -0.0005028700000000, -0.0010702800000000, -0.0007033300000000 ]- atom: 67 displacement: [ -0.0099999418370919, 0.0000000000000000, -0.0000341065210551 ] forces: - [ 0.0018334800000000, -0.0009773700000000, 0.0005039100000000 ] - [ 0.0000100100000000, -0.0008378400000000, 0.0000021300000000 ] - [ 0.0000007000000000, -0.0002081000000000, -0.0000068000000000 ] - [ 0.0000725300000000, -0.0002143700000000, 0.0001096100000000 ] - [ -0.0549364100000000, 0.0495787800000000, -0.0071464500000000 ] - [ 0.0042805900000000, 0.0016370400000000, 0.0011521300000000 ] - [ 0.0002976800000000, -0.0001561900000000, 0.0001080900000000 ] - [ -0.0004785400000000, -0.0001255800000000, 0.0000489400000000 ] - [ 0.0003595600000000, -0.0004462300000000, 0.0001722500000000 ] - [ -0.0003733100000000, -0.0004210300000000, -0.0000709200000000 ] - [ -0.0012087200000000, -0.0033926800000000, 0.0015539700000000 ] - [ 0.0010894800000000, -0.0001776800000000, 0.0004843300000000 ] - [ 0.0015282400000000, 0.0003244000000000, 0.0004537200000000 ] - [ -0.0005832600000000, 0.0016029800000000, 0.0000869600000000 ] - [ -0.0146793300000000, -0.0120138000000000, -0.0032420900000000 ] - [ -0.0029881800000000, -0.0007695500000000, -0.0020318800000000 ] - [ -0.0009065400000000, -0.0002841600000000, -0.0003355000000000 ] - [ 0.0010721500000000, 0.0006712800000000, 0.0005209900000000 ] - [ 0.0013467200000000, 0.0007480600000000, 0.0002323200000000 ] - [ -0.0017918900000000, 0.0020304600000000, -0.0022268300000000 ] - [ 0.0010790700000000, -0.0005950600000000, 0.0002927700000000 ] - [ -0.0000382400000000, -0.0002792000000000, -0.0000209800000000 ] - [ -0.0016720300000000, 0.0001204200000000, -0.0016041200000000 ] - [ 0.0000328500000000, -0.0002513800000000, -0.0000277000000000 ] - [ 0.0014988000000000, 0.0006116000000000, 0.0004340900000000 ] - [ 0.0019668800000000, 0.0006799600000000, 0.0004085000000000 ] - [ -0.0000096300000000, -0.0003248300000000, 0.0000003200000000 ] - [ -0.0000525300000000, -0.0002203100000000, 0.0000155900000000 ] - [ -0.0000148400000000, -0.0004727600000000, -0.0000406100000000 ] - [ 0.0004155200000000, -0.0000339000000000, 0.0000932300000000 ] - [ 0.0001591300000000, -0.0000869700000000, 0.0001540900000000 ] - [ 0.0002311600000000, -0.0000879600000000, -0.0000341400000000 ] - [ 0.0010924800000000, -0.0007385300000000, 0.0000875100000000 ] - [ -0.0002765900000000, 0.0005177200000000, -0.0001747300000000 ] - [ -0.0006591400000000, -0.0002312800000000, -0.0001260500000000 ] - [ 0.0000539600000000, -0.0004639600000000, 0.0000078600000000 ] - [ -0.0005262600000000, -0.0012157600000000, -0.0010386800000000 ] - [ 0.0026913500000000, 0.0005217100000000, 0.0004028100000000 ] - [ 0.0005195100000000, 0.0000591900000000, -0.0000545300000000 ] - [ -0.0117573700000000, -0.0003022600000000, -0.0008578700000000 ] - [ -0.0001023900000000, -0.0000241700000000, -0.0000961800000000 ] - [ -0.0001643600000000, -0.0000895100000000, -0.0000112000000000 ] - [ -0.0073318800000000, -0.0004343800000000, -0.0033079200000000 ] - [ 0.0032815900000000, 0.0003154800000000, 0.0015593200000000 ] - [ -0.0043766400000000, -0.0015145200000000, 0.0025040500000000 ] - [ 0.0000920600000000, 0.0003020500000000, 0.0000759200000000 ] - [ 0.0000879300000000, 0.0002333700000000, 0.0000820700000000 ] - [ -0.0000437600000000, 0.0003177300000000, -0.0000510700000000 ] - [ -0.0012374100000000, -0.0012248600000000, -0.0016376900000000 ] - [ -0.0003715400000000, 0.0021174000000000, -0.0023795100000000 ] - [ -0.0015066100000000, 0.0019522500000000, 0.0017778600000000 ] - [ -0.0003456400000000, -0.0005078100000000, -0.0004687800000000 ] - [ -0.0000715300000000, 0.0002233800000000, -0.0000200000000000 ] - [ -0.0007742200000000, -0.0010079800000000, 0.0011080300000000 ] - [ 0.0000137000000000, 0.0000454500000000, 0.0000333600000000 ] - [ -0.0005810200000000, 0.0002732100000000, -0.0004037400000000 ] - [ -0.0005353100000000, -0.0008004800000000, -0.0004040100000000 ] - [ -0.0039254600000000, 0.0050170000000000, -0.0000231100000000 ] - [ -0.0000462300000000, 0.0000403600000000, -0.0000394900000000 ] - [ -0.0000079900000000, 0.0003161200000000, 0.0000198200000000 ] - [ -0.0000599100000000, 0.0003943800000000, -0.0001056800000000 ] - [ -0.0000152700000000, -0.0001500400000000, 0.0002349200000000 ] - [ -0.0021136900000000, -0.0049963600000000, 0.0012531700000000 ] - [ 0.0000654000000000, -0.0002096100000000, -0.0000316700000000 ] - [ 0.0002872300000000, -0.0004265500000000, 0.0006276800000000 ] - [ 0.0005101100000000, -0.0002466000000000, 0.0001314100000000 ] - [ 0.0703858800000000, -0.0285300400000000, -0.0003304300000000 ] - [ -0.0019620200000000, -0.0003755700000000, 0.0003329800000000 ] - [ 0.0002755400000000, 0.0003937400000000, 0.0002089600000000 ] - [ 0.0001236000000000, 0.0000813600000000, -0.0000306700000000 ] - [ 0.0082205100000000, -0.0013472500000000, 0.0037275700000000 ] - [ 0.0006770200000000, -0.0005247700000000, 0.0000125300000000 ] - [ -0.0020826400000000, -0.0008803700000000, -0.0002641700000000 ] - [ 0.0098920600000000, -0.0126909100000000, 0.0023230700000000 ] - [ 0.0086288800000000, -0.0011094900000000, 0.0064777700000000 ] - [ -0.0000789100000000, 0.0001214400000000, 0.0000073400000000 ] - [ -0.0004232300000000, 0.0006108400000000, -0.0002313600000000 ] - [ -0.0013315800000000, -0.0002767700000000, -0.0010807000000000 ] - [ -0.0010542400000000, 0.0000249500000000, -0.0002066500000000 ] - [ -0.0005419700000000, -0.0002991500000000, -0.0000954600000000 ] - [ -0.0019275700000000, -0.0003598900000000, -0.0011225900000000 ] - [ -0.0005950000000000, -0.0003304900000000, -0.0001367400000000 ] - [ -0.0005299300000000, 0.0005179400000000, -0.0001342700000000 ] - [ -0.0008954400000000, -0.0000345700000000, -0.0006235300000000 ] - [ -0.0002435900000000, 0.0004042600000000, -0.0001543700000000 ] - [ 0.0002689100000000, 0.0000154500000000, 0.0000991400000000 ] - [ -0.0014737100000000, 0.0001429300000000, -0.0000686300000000 ] - [ -0.0012967500000000, 0.0003158600000000, -0.0005544600000000 ] - [ -0.0001163200000000, 0.0002772900000000, 0.0001390900000000 ] - [ -0.0008860100000000, 0.0000259600000000, 0.0000408000000000 ] - [ 0.0002483200000000, 0.0003636500000000, 0.0001275300000000 ] - [ -0.0002135600000000, 0.0001069700000000, -0.0001094200000000 ] - [ -0.0002814200000000, 0.0000020700000000, -0.0001624500000000 ] - [ -0.0005090400000000, 0.0070343600000000, 0.0017012300000000 ] - [ 0.0029187800000000, 0.0018787000000000, 0.0006810500000000 ] - [ 0.0002282600000000, 0.0000640400000000, 0.0001049700000000 ] - [ 0.0004850500000000, 0.0005587700000000, 0.0002871200000000 ] - [ 0.0038793000000000, -0.0012224300000000, -0.0004810300000000 ] - [ 0.0001083400000000, 0.0002492300000000, -0.0001156400000000 ] - [ 0.0006962300000000, 0.0011016800000000, 0.0009176100000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014939800000000, -0.0019373200000000, 0.0003643200000000 ] - [ -0.0000020000000000, -0.0009100400000000, 0.0000055700000000 ] - [ -0.0000203200000000, -0.0004407400000000, -0.0000087400000000 ] - [ 0.0000391600000000, -0.0003138600000000, 0.0000706000000000 ] - [ -0.0506536600000000, 0.1329344800000000, -0.0109078700000000 ] - [ 0.0041423300000000, 0.0036474200000000, 0.0012479000000000 ] - [ 0.0006474200000000, -0.0010310800000000, 0.0001898600000000 ] - [ 0.0003238600000000, -0.0021107800000000, -0.0000140900000000 ] - [ 0.0005407200000000, -0.0016552900000000, 0.0000275000000000 ] - [ -0.0002924400000000, -0.0020419400000000, -0.0001440300000000 ] - [ 0.0022164700000000, -0.0020843000000000, -0.0003133600000000 ] - [ 0.0007064900000000, 0.0009947400000000, 0.0002440700000000 ] - [ 0.0007589200000000, 0.0026659400000000, 0.0001851200000000 ] - [ -0.0061956100000000, -0.0045396300000000, 0.0000315000000000 ] - [ 0.0104249700000000, 0.0192135900000000, 0.0064760000000000 ] - [ -0.0020312300000000, 0.0034980800000000, -0.0004707800000000 ] - [ 0.0001109500000000, -0.0028684000000000, 0.0001394700000000 ] - [ -0.0003545500000000, 0.0005856600000000, -0.0001384400000000 ] - [ -0.0002170400000000, 0.0006242000000000, 0.0000710000000000 ] - [ 0.0021448800000000, 0.0055306500000000, 0.0004747000000000 ] - [ 0.0012058400000000, -0.0013981800000000, 0.0003316800000000 ] - [ 0.0000939400000000, -0.0019800200000000, 0.0000023100000000 ] - [ -0.0047496100000000, -0.0041381800000000, -0.0027991600000000 ] - [ -0.0001057100000000, -0.0016856800000000, -0.0000842300000000 ] - [ -0.0024102400000000, 0.0023350200000000, -0.0009276300000000 ] - [ -0.0007036700000000, 0.0018101700000000, -0.0001918400000000 ] - [ -0.0000582800000000, -0.0017429300000000, 0.0000282700000000 ] - [ 0.0001645500000000, -0.0020944300000000, 0.0000651000000000 ] - [ 0.0002491500000000, -0.0023913700000000, 0.0001203600000000 ] - [ -0.0008943800000000, -0.0013885500000000, -0.0003082600000000 ] - [ -0.0002569500000000, -0.0015010300000000, 0.0000067500000000 ] - [ -0.0000737800000000, -0.0014304000000000, -0.0000755600000000 ] - [ -0.0000272800000000, 0.0004041300000000, -0.0000192800000000 ] - [ -0.0001214600000000, -0.0038427900000000, 0.0001713300000000 ] - [ 0.0002814700000000, -0.0027531200000000, 0.0002764000000000 ] - [ -0.0000100900000000, -0.0018698900000000, 0.0000360500000000 ] - [ 0.0021248000000000, -0.0023805200000000, 0.0010862900000000 ] - [ 0.0005103300000000, 0.0020239800000000, 0.0001630700000000 ] - [ -0.0013818100000000, -0.0016709700000000, -0.0003190600000000 ] - [ 0.0036718700000000, 0.0112686400000000, -0.0029290100000000 ] - [ -0.0000506300000000, -0.0021730900000000, -0.0001180200000000 ] - [ -0.0001787300000000, -0.0019839700000000, 0.0000009800000000 ] - [ -0.0001365400000000, 0.0087801000000000, 0.0042146700000000 ] - [ 0.0002825900000000, 0.0020227000000000, 0.0001230200000000 ] - [ 0.0012290500000000, -0.0039996900000000, -0.0001113600000000 ] - [ 0.0000037700000000, 0.0012185500000000, 0.0000161500000000 ] - [ 0.0002337600000000, 0.0015016300000000, 0.0000743200000000 ] - [ -0.0001964100000000, 0.0011271000000000, -0.0000948200000000 ] - [ 0.0007409000000000, -0.0031926000000000, 0.0003677500000000 ] - [ -0.0009734600000000, 0.0021032600000000, -0.0020332000000000 ] - [ -0.0018867100000000, 0.0021219500000000, 0.0012568000000000 ] - [ 0.0017618800000000, 0.0012402900000000, 0.0016388900000000 ] - [ 0.0001274800000000, 0.0012357300000000, -0.0000330700000000 ] - [ 0.0031555700000000, 0.0036285900000000, -0.0032193000000000 ] - [ 0.0000485700000000, 0.0009161400000000, 0.0000584200000000 ] - [ -0.0000822300000000, -0.0013051100000000, -0.0000489800000000 ] - [ 0.0005189900000000, -0.0014218700000000, 0.0001199500000000 ] - [ -0.0001030800000000, -0.0008598800000000, -0.0003262400000000 ] - [ 0.0000477400000000, 0.0010034100000000, -0.0000339900000000 ] - [ -0.0002395100000000, 0.0008595000000000, -0.0001577900000000 ] - [ -0.0004266700000000, 0.0007991300000000, -0.0000357900000000 ] - [ 0.0008617200000000, 0.0017185300000000, 0.0001637000000000 ] - [ -0.0004072800000000, -0.0035059700000000, -0.0000023600000000 ] - [ 0.0008652800000000, 0.0006605000000000, 0.0002036700000000 ] - [ 0.0001967100000000, 0.0018799200000000, -0.0001190300000000 ] - [ -0.0001212800000000, 0.0015055600000000, -0.0005860000000000 ] - [ 0.0304976600000000, -0.2189817700000000, 0.0057110000000000 ] - [ -0.0010432900000000, -0.0011126100000000, 0.0001981700000000 ] - [ 0.0002888300000000, 0.0018636400000000, 0.0001281800000000 ] - [ 0.0001074100000000, 0.0021211900000000, 0.0000418500000000 ] - [ 0.0023102000000000, -0.0043946300000000, 0.0003136800000000 ] - [ -0.0004463800000000, 0.0017501100000000, 0.0003757700000000 ] - [ -0.0009135800000000, -0.0032170300000000, -0.0002578500000000 ] - [ 0.0144911700000000, 0.0239594800000000, -0.0189153200000000 ] - [ 0.0007793900000000, 0.0173793300000000, 0.0228793100000000 ] - [ -0.0001480600000000, 0.0013774200000000, -0.0000403900000000 ] - [ -0.0002055100000000, 0.0016338200000000, -0.0001094300000000 ] - [ -0.0008087500000000, -0.0011420100000000, -0.0007069000000000 ] - [ 0.0001769700000000, -0.0005027300000000, 0.0001298000000000 ] - [ -0.0003292600000000, 0.0003645200000000, -0.0001511400000000 ] - [ -0.0002553400000000, -0.0021425800000000, -0.0000685600000000 ] - [ -0.0004417500000000, 0.0003648400000000, 0.0000246400000000 ] - [ 0.0009397400000000, 0.0006862300000000, 0.0000340000000000 ] - [ -0.0001575000000000, -0.0003510900000000, -0.0001799600000000 ] - [ -0.0003760600000000, 0.0019475400000000, -0.0001877900000000 ] - [ -0.0006282200000000, 0.0016953500000000, 0.0002908300000000 ] - [ 0.0005725300000000, -0.0010931400000000, 0.0009743600000000 ] - [ 0.0003436500000000, -0.0013617800000000, -0.0003848400000000 ] - [ -0.0000712800000000, 0.0014876900000000, 0.0002008100000000 ] - [ -0.0001065200000000, -0.0000632000000000, -0.0000284400000000 ] - [ 0.0003369600000000, 0.0022661500000000, 0.0001858800000000 ] - [ 0.0002870400000000, 0.0011868900000000, -0.0002122400000000 ] - [ 0.0003496300000000, 0.0013867400000000, 0.0003762700000000 ] - [ -0.0070459100000000, 0.0075377500000000, 0.0045866300000000 ] - [ -0.0014745700000000, 0.0045097700000000, -0.0091266200000000 ] - [ -0.0003992900000000, 0.0015876700000000, -0.0004190600000000 ] - [ -0.0003206400000000, 0.0014873100000000, -0.0001737400000000 ] - [ -0.0035377300000000, 0.0030702300000000, -0.0001151600000000 ] - [ 0.0000711500000000, 0.0017046600000000, -0.0001789300000000 ] - [ 0.0005938800000000, 0.0017785900000000, 0.0013229300000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014782100000000, 0.0019415000000000, -0.0003739700000000 ] - [ -0.0000023700000000, 0.0009531900000000, 0.0000111200000000 ] - [ 0.0000247300000000, 0.0004049600000000, -0.0000072200000000 ] - [ -0.0000446100000000, 0.0003486200000000, -0.0000526600000000 ] - [ 0.0473450600000000, -0.1254858000000000, 0.0104526200000000 ] - [ -0.0045809900000000, -0.0040702800000000, -0.0014068800000000 ] - [ -0.0010547400000000, 0.0014485200000000, -0.0003484400000000 ] - [ 0.0000946800000000, 0.0025201200000000, 0.0001660900000000 ] - [ -0.0001338700000000, 0.0012436700000000, 0.0001332900000000 ] - [ -0.0001175800000000, 0.0016311600000000, -0.0000064200000000 ] - [ -0.0026213400000000, 0.0024959400000000, 0.0001428700000000 ] - [ -0.0002924700000000, -0.0005958300000000, -0.0000918500000000 ] - [ -0.0006023300000000, -0.0027831200000000, -0.0001693900000000 ] - [ 0.0062578800000000, 0.0045158400000000, -0.0001282500000000 ] - [ -0.0111385800000000, -0.0205738200000000, -0.0065255600000000 ] - [ 0.0021311800000000, -0.0034899100000000, 0.0004462200000000 ] - [ -0.0002505900000000, 0.0029904700000000, -0.0001490200000000 ] - [ 0.0002424400000000, -0.0005710400000000, 0.0002306200000000 ] - [ 0.0001799800000000, -0.0006092100000000, 0.0001330000000000 ] - [ -0.0022802100000000, -0.0056080400000000, -0.0004859100000000 ] - [ -0.0010567000000000, 0.0015311400000000, -0.0003180900000000 ] - [ 0.0000061300000000, 0.0019283000000000, -0.0000225700000000 ] - [ 0.0047493000000000, 0.0041217400000000, 0.0025799400000000 ] - [ 0.0000853200000000, 0.0016732500000000, -0.0000128500000000 ] - [ 0.0024222800000000, -0.0023406100000000, 0.0008421200000000 ] - [ 0.0006087800000000, -0.0017730700000000, 0.0002144100000000 ] - [ -0.0000402700000000, 0.0016917900000000, -0.0000071300000000 ] - [ -0.0001423900000000, 0.0020803200000000, 0.0000336400000000 ] - [ -0.0001004800000000, 0.0022692500000000, -0.0001062700000000 ] - [ 0.0010087500000000, 0.0013886900000000, 0.0002193500000000 ] - [ 0.0002747600000000, 0.0015192100000000, 0.0000905700000000 ] - [ 0.0001694800000000, 0.0014876100000000, 0.0000538900000000 ] - [ -0.0001145400000000, -0.0002987400000000, 0.0000055700000000 ] - [ 0.0000097300000000, 0.0038644200000000, -0.0000817500000000 ] - [ -0.0003220300000000, 0.0027619700000000, -0.0000704200000000 ] - [ -0.0001407100000000, 0.0017453600000000, -0.0000503800000000 ] - [ -0.0019919600000000, 0.0024974200000000, -0.0010805100000000 ] - [ -0.0003917000000000, -0.0020772300000000, -0.0001862000000000 ] - [ 0.0014310900000000, 0.0016749100000000, 0.0001143800000000 ] - [ -0.0037290200000000, -0.0113295300000000, 0.0028076300000000 ] - [ 0.0000293100000000, 0.0021868800000000, 0.0000211400000000 ] - [ 0.0000795300000000, 0.0020366100000000, 0.0000199500000000 ] - [ -0.0000036600000000, -0.0088917100000000, -0.0042131200000000 ] - [ -0.0002400600000000, -0.0020379500000000, -0.0000095700000000 ] - [ -0.0011211000000000, 0.0038210400000000, 0.0001896300000000 ] - [ 0.0000933300000000, -0.0010181900000000, 0.0000711200000000 ] - [ -0.0001288100000000, -0.0013157600000000, -0.0000392200000000 ] - [ 0.0000962300000000, -0.0009284000000000, 0.0000069800000000 ] - [ -0.0008348300000000, 0.0030157600000000, -0.0004441600000000 ] - [ 0.0010832300000000, -0.0021180500000000, 0.0019553500000000 ] - [ 0.0017746800000000, -0.0021370800000000, -0.0011781000000000 ] - [ -0.0018802300000000, -0.0014366000000000, -0.0016886500000000 ] - [ -0.0002357800000000, -0.0010477000000000, -0.0000024200000000 ] - [ -0.0030753400000000, -0.0038443900000000, 0.0032827000000000 ] - [ 0.0000505700000000, -0.0011189300000000, 0.0000292500000000 ] - [ 0.0001747800000000, 0.0015209700000000, 0.0001386100000000 ] - [ -0.0004118800000000, 0.0016004800000000, -0.0000870700000000 ] - [ -0.0000389400000000, 0.0011363300000000, 0.0002199500000000 ] - [ -0.0001452700000000, -0.0012048800000000, -0.0000534700000000 ] - [ 0.0003566500000000, -0.0008615800000000, 0.0000630400000000 ] - [ 0.0003143600000000, -0.0007996800000000, 0.0001316300000000 ] - [ -0.0009588500000000, -0.0019007500000000, -0.0001980300000000 ] - [ 0.0002939200000000, 0.0036474400000000, -0.0000208200000000 ] - [ -0.0007532800000000, -0.0008501100000000, -0.0001666800000000 ] - [ -0.0002062000000000, -0.0018537000000000, 0.0000542700000000 ] - [ -0.0000870200000000, -0.0014595900000000, 0.0003512800000000 ] - [ -0.0264731500000000, 0.2121114600000000, -0.0050973400000000 ] - [ 0.0013041300000000, 0.0011263000000000, -0.0001054300000000 ] - [ -0.0002422700000000, -0.0019177600000000, 0.0001276800000000 ] - [ -0.0003688900000000, -0.0024334300000000, -0.0002065500000000 ] - [ -0.0021987000000000, 0.0044314100000000, -0.0000249200000000 ] - [ 0.0001844200000000, -0.0017654700000000, -0.0004677200000000 ] - [ 0.0011659100000000, 0.0035394400000000, 0.0004239300000000 ] - [ -0.0145173300000000, -0.0233625900000000, 0.0184097800000000 ] - [ -0.0010410300000000, -0.0170129000000000, -0.0227106700000000 ] - [ 0.0004084400000000, -0.0016940500000000, 0.0002067000000000 ] - [ 0.0001613300000000, -0.0016914000000000, -0.0001448800000000 ] - [ 0.0010176000000000, 0.0010935600000000, 0.0009423500000000 ] - [ -0.0001670800000000, 0.0004999900000000, -0.0000688700000000 ] - [ 0.0005844100000000, -0.0003898100000000, 0.0002484400000000 ] - [ 0.0001949500000000, 0.0021981700000000, -0.0001949700000000 ] - [ 0.0006462900000000, -0.0003263400000000, 0.0002050400000000 ] - [ -0.0009617000000000, -0.0006798300000000, -0.0000953700000000 ] - [ -0.0000533600000000, 0.0004029300000000, -0.0000543100000000 ] - [ 0.0001176900000000, -0.0016369300000000, 0.0000225900000000 ] - [ 0.0008875200000000, -0.0016781400000000, -0.0001962000000000 ] - [ -0.0005309900000000, 0.0010511800000000, -0.0007285800000000 ] - [ -0.0006122500000000, 0.0010637600000000, 0.0002222000000000 ] - [ 0.0001193700000000, -0.0014367300000000, 0.0000550400000000 ] - [ -0.0001581400000000, 0.0000468300000000, -0.0000639800000000 ] - [ -0.0000789000000000, -0.0019573700000000, -0.0000212500000000 ] - [ -0.0005453100000000, -0.0011681000000000, 0.0001189000000000 ] - [ -0.0005581400000000, -0.0014348200000000, -0.0006120500000000 ] - [ 0.0074140600000000, -0.0079973600000000, -0.0045517700000000 ] - [ 0.0014135000000000, -0.0046350600000000, 0.0089991300000000 ] - [ 0.0006076900000000, -0.0016354100000000, 0.0006515900000000 ] - [ 0.0003384800000000, -0.0014852300000000, 0.0002359500000000 ] - [ 0.0038106800000000, -0.0030902000000000, 0.0002188100000000 ] - [ -0.0001195400000000, -0.0016533900000000, -0.0000768200000000 ] - [ -0.0003888900000000, -0.0017463000000000, -0.0010956800000000 ]- atom: 67 displacement: [ -0.0028145825136884, 0.0000000000000000, 0.0095957347438140 ] forces: - [ 0.0001066700000000, -0.0001250800000000, -0.0000244200000000 ] - [ 0.0000033400000000, -0.0000082400000000, 0.0000073100000000 ] - [ 0.0000064800000000, 0.0000064400000000, -0.0000061700000000 ] - [ 0.0000478000000000, -0.0000310200000000, -0.0000297300000000 ] - [ -0.0088623900000000, 0.0044279600000000, 0.0215708500000000 ] - [ -0.0000879600000000, -0.0001475100000000, 0.0000858800000000 ] - [ -0.0001899200000000, 0.0002350600000000, -0.0000218800000000 ] - [ 0.0000042100000000, 0.0002525500000000, 0.0005548300000000 ] - [ 0.0001459000000000, -0.0001815300000000, 0.0000629600000000 ] - [ -0.0001421900000000, -0.0001660600000000, -0.0000463700000000 ] - [ 0.0000480000000000, -0.0021288500000000, 0.0002050600000000 ] - [ -0.0000677900000000, 0.0001017200000000, 0.0000208300000000 ] - [ 0.0002825500000000, -0.0000539300000000, -0.0001803600000000 ] - [ 0.0023158500000000, 0.0022717700000000, -0.0007007500000000 ] - [ -0.0020963500000000, -0.0009837900000000, 0.0037543300000000 ] - [ 0.0007577600000000, -0.0005465200000000, -0.0030598000000000 ] - [ -0.0000306100000000, 0.0000537500000000, -0.0002112200000000 ] - [ 0.0000172500000000, 0.0000648100000000, 0.0001213800000000 ] - [ 0.0000727900000000, 0.0001583800000000, 0.0000653000000000 ] - [ 0.0008773300000000, 0.0003009200000000, -0.0043061000000000 ] - [ 0.0001226800000000, 0.0000813500000000, 0.0000163400000000 ] - [ 0.0000471800000000, -0.0000026000000000, -0.0000150500000000 ] - [ -0.0018252400000000, -0.0021067300000000, -0.0016982100000000 ] - [ -0.0000105800000000, 0.0000252800000000, -0.0000406500000000 ] - [ -0.0000691300000000, -0.0001257200000000, 0.0002505100000000 ] - [ 0.0002810700000000, -0.0001397400000000, -0.0005871900000000 ] - [ -0.0000512900000000, -0.0000017500000000, 0.0000027200000000 ] - [ 0.0000004600000000, 0.0000263000000000, 0.0000516000000000 ] - [ 0.0001065000000000, 0.0000606400000000, 0.0000075400000000 ] - [ 0.0000467400000000, 0.0000340400000000, -0.0000667800000000 ] - [ -0.0000237400000000, 0.0000294700000000, 0.0000403800000000 ] - [ 0.0000645600000000, 0.0000896100000000, -0.0000277500000000 ] - [ -0.0000401300000000, -0.0000032500000000, 0.0000327000000000 ] - [ -0.0000254000000000, -0.0000284600000000, 0.0000889100000000 ] - [ 0.0000240200000000, -0.0000888000000000, 0.0000558400000000 ] - [ -0.0000982800000000, -0.0000187200000000, -0.0000203200000000 ] - [ -0.0003930400000000, 0.0014444300000000, -0.0001167400000000 ] - [ -0.0007975400000000, -0.0001145600000000, -0.0000842700000000 ] - [ -0.0000245100000000, 0.0000536700000000, -0.0000821700000000 ] - [ -0.0018816900000000, -0.0017932300000000, 0.0002439700000000 ] - [ 0.0000538800000000, 0.0001611200000000, -0.0000586000000000 ] - [ -0.0000671300000000, -0.0000048800000000, -0.0000159300000000 ] - [ 0.0014512600000000, 0.0030934300000000, -0.0007355700000000 ] - [ 0.0010173400000000, -0.0003891300000000, 0.0005206700000000 ] - [ -0.0034768800000000, -0.0004707200000000, 0.0009788000000000 ] - [ 0.0000527200000000, 0.0000874800000000, 0.0000393900000000 ] - [ 0.0000503400000000, 0.0000863500000000, 0.0000182600000000 ] - [ -0.0000473200000000, 0.0000848900000000, -0.0000438800000000 ] - [ 0.0013597900000000, 0.0001759500000000, 0.0011352700000000 ] - [ 0.0000897500000000, 0.0003524500000000, -0.0003797600000000 ] - [ -0.0000362900000000, -0.0002244900000000, -0.0001544400000000 ] - [ -0.0001137000000000, -0.0002079100000000, -0.0001104600000000 ] - [ -0.0000428900000000, 0.0000826800000000, -0.0000174500000000 ] - [ 0.0003159400000000, 0.0002974100000000, -0.0002628100000000 ] - [ 0.0000500100000000, -0.0001325300000000, 0.0000474500000000 ] - [ 0.0004426500000000, 0.0000985700000000, -0.0008906200000000 ] - [ 0.0001289400000000, -0.0000071300000000, -0.0005243600000000 ] - [ -0.0002531200000000, -0.0008168100000000, 0.0047282100000000 ] - [ -0.0000537700000000, -0.0001360200000000, -0.0000324200000000 ] - [ 0.0000319300000000, -0.0000133700000000, 0.0001205100000000 ] - [ 0.0000028300000000, -0.0000315100000000, -0.0000670100000000 ] - [ -0.0002597700000000, -0.0001266300000000, 0.0007388900000000 ] - [ -0.0010628300000000, -0.0004250700000000, 0.0028848900000000 ] - [ 0.0001343500000000, -0.0000981100000000, -0.0001205100000000 ] - [ -0.0003457400000000, 0.0001084800000000, 0.0016536400000000 ] - [ -0.0002064500000000, 0.0003026500000000, -0.0002535400000000 ] - [ 0.0198869400000000, -0.0025684900000000, -0.0421306900000000 ] - [ -0.0000627100000000, -0.0000908100000000, 0.0000764600000000 ] - [ 0.0000182900000000, -0.0000480400000000, 0.0001642900000000 ] - [ -0.0001056000000000, -0.0002126300000000, -0.0001454300000000 ] - [ -0.0024511900000000, 0.0003078800000000, 0.0053759400000000 ] - [ 0.0001058400000000, -0.0005046100000000, -0.0000836700000000 ] - [ -0.0001584100000000, 0.0002042700000000, 0.0001862400000000 ] - [ -0.0014059300000000, -0.0189318300000000, 0.0034086400000000 ] - [ -0.0018724900000000, 0.0180592800000000, 0.0050254100000000 ] - [ 0.0001410300000000, -0.0002013000000000, 0.0000654100000000 ] - [ -0.0000364900000000, -0.0000309900000000, -0.0000985800000000 ] - [ 0.0000891100000000, 0.0000091700000000, 0.0001776700000000 ] - [ -0.0000932600000000, 0.0000027500000000, 0.0000213600000000 ] - [ 0.0001076200000000, -0.0000531800000000, 0.0000245600000000 ] - [ -0.0000765800000000, 0.0000869800000000, -0.0005651800000000 ] - [ 0.0000236300000000, -0.0000815100000000, 0.0000518800000000 ] - [ -0.0000228700000000, -0.0000018500000000, -0.0000451500000000 ] - [ 0.0000041500000000, 0.0000138700000000, -0.0000601800000000 ] - [ -0.0000879000000000, 0.0001211400000000, -0.0000698800000000 ] - [ 0.0000988400000000, 0.0000090200000000, 0.0000300900000000 ] - [ -0.0001022700000000, 0.0000473200000000, 0.0002238700000000 ] - [ -0.0000013400000000, 0.0002637100000000, -0.0000031100000000 ] - [ 0.0000179400000000, -0.0000205700000000, 0.0001282000000000 ] - [ -0.0000422100000000, 0.0000135100000000, -0.0000416600000000 ] - [ 0.0001144900000000, 0.0001113300000000, 0.0000765100000000 ] - [ -0.0000972700000000, 0.0000030300000000, -0.0000556200000000 ] - [ -0.0000809400000000, -0.0000283000000000, -0.0000833900000000 ] - [ -0.0016108100000000, 0.0062314100000000, 0.0009367500000000 ] - [ -0.0006536700000000, -0.0058711800000000, 0.0014933300000000 ] - [ 0.0000604500000000, -0.0000101200000000, 0.0001064100000000 ] - [ -0.0001976600000000, -0.0001234100000000, 0.0000168000000000 ] - [ 0.0005477700000000, 0.0001220000000000, -0.0002343100000000 ] - [ -0.0000467700000000, -0.0000254400000000, -0.0001367500000000 ] - [ 0.0001130200000000, 0.0004283800000000, 0.0010518600000000 ]- atom: 67 displacement: [ 0.0028145825136884, 0.0000000000000000, -0.0095957347438140 ] forces: - [ -0.0001223300000000, 0.0001237600000000, 0.0000042400000000 ] - [ -0.0000070200000000, 0.0000473300000000, 0.0000097400000000 ] - [ -0.0000037100000000, -0.0000487100000000, -0.0000091400000000 ] - [ -0.0000497100000000, 0.0000745800000000, 0.0000455800000000 ] - [ 0.0096204600000000, -0.0054116600000000, -0.0214097400000000 ] - [ -0.0003511100000000, -0.0002777900000000, -0.0002439800000000 ] - [ -0.0001971300000000, 0.0001625800000000, -0.0001313400000000 ] - [ 0.0003835000000000, 0.0001456800000000, -0.0004102400000000 ] - [ 0.0002408400000000, -0.0002077300000000, 0.0000905200000000 ] - [ -0.0002451300000000, -0.0002226600000000, -0.0000962100000000 ] - [ -0.0004344500000000, 0.0025290800000000, -0.0003602400000000 ] - [ 0.0004555000000000, 0.0002915100000000, 0.0001236000000000 ] - [ -0.0001341600000000, -0.0000794300000000, 0.0001957000000000 ] - [ -0.0021774600000000, -0.0022637600000000, 0.0006090300000000 ] - [ 0.0022234400000000, 0.0011284700000000, -0.0036513600000000 ] - [ -0.0006596900000000, 0.0006115700000000, 0.0030386100000000 ] - [ -0.0001218100000000, 0.0000713600000000, 0.0001941200000000 ] - [ -0.0001416600000000, -0.0000706500000000, -0.0000267000000000 ] - [ -0.0001234200000000, -0.0001642100000000, 0.0001322400000000 ] - [ -0.0010309000000000, -0.0004604600000000, 0.0042944800000000 ] - [ 0.0000250600000000, 0.0000417500000000, 0.0000002700000000 ] - [ 0.0000424000000000, -0.0000427500000000, -0.0000149500000000 ] - [ 0.0018839600000000, 0.0021139500000000, 0.0015056900000000 ] - [ 0.0000134600000000, -0.0000269900000000, -0.0000573300000000 ] - [ 0.0000708400000000, 0.0001268300000000, -0.0003477200000000 ] - [ -0.0003693700000000, 0.0001889900000000, 0.0006172300000000 ] - [ -0.0000381500000000, -0.0000430900000000, 0.0000293700000000 ] - [ -0.0000033500000000, -0.0000278700000000, 0.0000471000000000 ] - [ 0.0000520500000000, -0.0001708000000000, 0.0000117300000000 ] - [ 0.0000673300000000, -0.0000280700000000, -0.0000271100000000 ] - [ 0.0000191000000000, -0.0000205000000000, 0.0000555200000000 ] - [ 0.0000232100000000, -0.0000341400000000, -0.0000016500000000 ] - [ -0.0001222600000000, 0.0001258300000000, -0.0000519900000000 ] - [ -0.0000923500000000, 0.0000325300000000, 0.0000064800000000 ] - [ -0.0000644000000000, 0.0000947900000000, 0.0001449100000000 ] - [ -0.0000595000000000, -0.0000921800000000, 0.0000021900000000 ] - [ 0.0005518500000000, -0.0013166000000000, 0.0001391700000000 ] - [ 0.0008677500000000, 0.0000537700000000, 0.0000483300000000 ] - [ 0.0000652300000000, -0.0000484400000000, -0.0001187200000000 ] - [ 0.0022930300000000, 0.0017661900000000, -0.0005197500000000 ] - [ -0.0000500300000000, -0.0001503900000000, -0.0000370000000000 ] - [ -0.0000208600000000, 0.0000598600000000, 0.0000470200000000 ] - [ -0.0013957700000000, -0.0031647500000000, 0.0010619000000000 ] - [ -0.0010411000000000, 0.0003735900000000, -0.0004290000000000 ] - [ 0.0035276100000000, 0.0002732600000000, -0.0008874000000000 ] - [ 0.0000448600000000, 0.0001093900000000, 0.0000481000000000 ] - [ 0.0000542000000000, 0.0000945800000000, 0.0000142100000000 ] - [ -0.0000486700000000, 0.0001120100000000, -0.0000421500000000 ] - [ -0.0014715800000000, -0.0003725400000000, -0.0012267200000000 ] - [ 0.0000435100000000, -0.0003544700000000, 0.0002602700000000 ] - [ -0.0000764800000000, 0.0002225100000000, 0.0002808500000000 ] - [ 0.0000097900000000, 0.0000229800000000, 0.0000810900000000 ] - [ -0.0000616600000000, 0.0000982000000000, -0.0000147500000000 ] - [ -0.0002090200000000, -0.0004817600000000, 0.0002911000000000 ] - [ 0.0000463800000000, -0.0000732400000000, 0.0000415400000000 ] - [ -0.0003303200000000, 0.0000947400000000, 0.0009826000000000 ] - [ -0.0000223800000000, 0.0002030600000000, 0.0005576600000000 ] - [ 0.0001730700000000, 0.0009940300000000, -0.0048010600000000 ] - [ -0.0000422500000000, -0.0000703400000000, -0.0000560600000000 ] - [ 0.0000933100000000, 0.0000167800000000, -0.0002513900000000 ] - [ -0.0001272300000000, 0.0000326300000000, 0.0001994800000000 ] - [ 0.0001543100000000, -0.0000603500000000, -0.0007698200000000 ] - [ 0.0009618500000000, 0.0006307000000000, -0.0029149500000000 ] - [ -0.0000312600000000, -0.0000878700000000, 0.0001532900000000 ] - [ 0.0003255800000000, -0.0001124500000000, -0.0017144200000000 ] - [ 0.0000014700000000, -0.0002575800000000, 0.0000186400000000 ] - [ -0.0212441800000000, 0.0030787000000000, 0.0417632300000000 ] - [ 0.0003333700000000, 0.0001149300000000, 0.0000072600000000 ] - [ 0.0000288900000000, -0.0000111200000000, 0.0000916100000000 ] - [ -0.0001453400000000, -0.0001026100000000, -0.0000151700000000 ] - [ 0.0025332300000000, -0.0002394400000000, -0.0051409000000000 ] - [ -0.0003637400000000, 0.0004848700000000, -0.0000041000000000 ] - [ 0.0004232200000000, 0.0001259600000000, -0.0000225000000000 ] - [ 0.0011516000000000, 0.0191304200000000, -0.0034463600000000 ] - [ 0.0016871300000000, -0.0178924500000000, -0.0052885700000000 ] - [ 0.0001097000000000, -0.0001133900000000, 0.0000979700000000 ] - [ -0.0000100500000000, -0.0000291000000000, -0.0001555200000000 ] - [ 0.0001230100000000, -0.0000499400000000, 0.0000703100000000 ] - [ 0.0001132100000000, 0.0000011200000000, 0.0000415000000000 ] - [ 0.0001513700000000, 0.0000349600000000, 0.0000663300000000 ] - [ 0.0000338100000000, -0.0000261600000000, 0.0003136900000000 ] - [ 0.0001827100000000, 0.0001278000000000, 0.0001842400000000 ] - [ 0.0000101500000000, -0.0000039300000000, -0.0000149200000000 ] - [ -0.0002021600000000, 0.0000275400000000, -0.0001702400000000 ] - [ -0.0001578400000000, 0.0001800000000000, -0.0000897400000000 ] - [ 0.0001518700000000, 0.0000084000000000, 0.0000605300000000 ] - [ 0.0001550600000000, -0.0000996000000000, 0.0000348600000000 ] - [ -0.0002431600000000, -0.0005760000000000, -0.0001556600000000 ] - [ 0.0000338100000000, 0.0000677100000000, 0.0001274700000000 ] - [ -0.0002072900000000, -0.0000368000000000, -0.0000462500000000 ] - [ 0.0001307500000000, 0.0001871500000000, 0.0000836700000000 ] - [ -0.0001555900000000, 0.0000134900000000, -0.0000318000000000 ] - [ -0.0001189700000000, -0.0000195400000000, -0.0001498700000000 ] - [ 0.0018989900000000, -0.0065953600000000, -0.0008048800000000 ] - [ 0.0006169600000000, 0.0057655900000000, -0.0017272400000000 ] - [ 0.0001395200000000, -0.0000379200000000, 0.0001276200000000 ] - [ 0.0002113000000000, 0.0001179400000000, 0.0000443500000000 ] - [ -0.0003092600000000, -0.0001398300000000, 0.0003258100000000 ] - [ -0.0000047300000000, 0.0000723200000000, -0.0001185800000000 ] - [ 0.0000853900000000, -0.0003903300000000, -0.0008188700000000 ]- atom: 68 displacement: [ 0.0099999418370919, 0.0000000000000000, 0.0000341065210551 ] forces: - [ 0.0015222100000000, -0.0045306100000000, -0.0027707800000000 ] - [ -0.0000411100000000, -0.0013826800000000, 0.0001490800000000 ] - [ -0.0000016300000000, 0.0000763300000000, -0.0000134200000000 ] - [ -0.0000191700000000, 0.0000760600000000, 0.0000090500000000 ] - [ -0.0051541700000000, 0.0019316700000000, -0.0009117800000000 ] - [ 0.1098798200000000, -0.0269483400000000, -0.0457021200000000 ] - [ 0.0019447800000000, 0.0000886500000000, -0.0016212200000000 ] - [ -0.0007718300000000, -0.0004323700000000, 0.0000336900000000 ] - [ 0.0001051500000000, 0.0002754600000000, 0.0000582900000000 ] - [ -0.0002326300000000, 0.0001028400000000, -0.0000925300000000 ] - [ -0.0005584800000000, 0.0004274200000000, -0.0002103900000000 ] - [ -0.0002417700000000, -0.0010973200000000, -0.0000395300000000 ] - [ 0.0064684400000000, -0.0017855100000000, 0.0087393200000000 ] - [ -0.0032839800000000, -0.0010701000000000, -0.0013211000000000 ] - [ -0.0008332000000000, 0.0010005400000000, -0.0002894400000000 ] - [ -0.0015565200000000, 0.0008296300000000, -0.0002784400000000 ] - [ -0.0014139000000000, -0.0013112900000000, -0.0004358500000000 ] - [ 0.0159349600000000, -0.0087744400000000, 0.0057705600000000 ] - [ 0.0017863900000000, -0.0044277000000000, 0.0030985400000000 ] - [ -0.0014616000000000, -0.0003656600000000, -0.0005893200000000 ] - [ 0.0023212500000000, 0.0001894200000000, 0.0012086300000000 ] - [ -0.0000500400000000, 0.0000788500000000, 0.0000144700000000 ] - [ -0.0019804400000000, -0.0011018300000000, -0.0007516500000000 ] - [ 0.0002620000000000, 0.0003788400000000, 0.0000356700000000 ] - [ 0.0001957100000000, 0.0043538300000000, -0.0005648900000000 ] - [ 0.0015839500000000, 0.0003837000000000, 0.0013777900000000 ] - [ 0.0002358600000000, 0.0003044600000000, 0.0000771700000000 ] - [ -0.0000528500000000, 0.0000997900000000, -0.0000243100000000 ] - [ 0.0000122600000000, 0.0004233100000000, -0.0000066200000000 ] - [ 0.0003083100000000, 0.0005484300000000, 0.0000070500000000 ] - [ 0.0005865900000000, 0.0020188800000000, 0.0000902000000000 ] - [ 0.0006760300000000, 0.0009501200000000, 0.0003767900000000 ] - [ 0.0003965900000000, 0.0006206300000000, 0.0001928700000000 ] - [ -0.0001845500000000, 0.0005212300000000, -0.0000241000000000 ] - [ -0.0001949000000000, 0.0005832400000000, 0.0001139400000000 ] - [ -0.0000748900000000, 0.0004816200000000, 0.0000105500000000 ] - [ -0.0004542500000000, 0.0002735600000000, -0.0001601000000000 ] - [ 0.0023548900000000, 0.0014728100000000, 0.0038101600000000 ] - [ 0.0002713200000000, 0.0005026300000000, -0.0000203700000000 ] - [ -0.0020636900000000, -0.0003199800000000, -0.0004093500000000 ] - [ -0.0008481900000000, 0.0005616600000000, -0.0003446000000000 ] - [ -0.0011083900000000, 0.0006781000000000, -0.0001461400000000 ] - [ -0.0014437000000000, -0.0001013400000000, -0.0006830600000000 ] - [ 0.0065670600000000, -0.0084190400000000, 0.0009481900000000 ] - [ 0.0006372800000000, -0.0012659100000000, 0.0010834100000000 ] - [ -0.0001035900000000, 0.0002166800000000, 0.0000585600000000 ] - [ 0.0000316200000000, -0.0001427900000000, 0.0000019600000000 ] - [ -0.0002298800000000, 0.0000740600000000, -0.0001575100000000 ] - [ 0.0017429100000000, -0.0033134100000000, -0.0020830000000000 ] - [ 0.0015650400000000, 0.0030868400000000, -0.0016331400000000 ] - [ 0.0008998600000000, 0.0013789200000000, 0.0009485700000000 ] - [ 0.0000323400000000, -0.0006845600000000, -0.0003032300000000 ] - [ -0.0001036200000000, -0.0001633400000000, -0.0000198600000000 ] - [ 0.0001265500000000, -0.0006320100000000, 0.0001524500000000 ] - [ 0.0001277200000000, -0.0004517100000000, 0.0000135700000000 ] - [ 0.0010953000000000, 0.0007406800000000, -0.0015617900000000 ] - [ 0.0013219900000000, 0.0016159300000000, -0.0010633000000000 ] - [ 0.0006083600000000, 0.0005773600000000, 0.0010470500000000 ] - [ 0.0000857400000000, -0.0003671300000000, -0.0000033400000000 ] - [ 0.0000690700000000, -0.0001822800000000, -0.0000353600000000 ] - [ -0.0000416800000000, -0.0001797500000000, 0.0000384100000000 ] - [ 0.0012711500000000, -0.0007712000000000, 0.0015373700000000 ] - [ 0.0009819500000000, 0.0006806000000000, 0.0007320400000000 ] - [ 0.0035039500000000, -0.0033465900000000, -0.0042676200000000 ] - [ 0.0014351700000000, 0.0006059100000000, 0.0008433700000000 ] - [ 0.0006927300000000, 0.0000920800000000, 0.0000414500000000 ] - [ 0.0019611200000000, -0.0010176000000000, 0.0003232200000000 ] - [ -0.1219373300000000, 0.0573398400000000, 0.0633359100000000 ] - [ 0.0010396700000000, 0.0006537000000000, 0.0003477900000000 ] - [ 0.0005404400000000, 0.0003006100000000, 0.0000906600000000 ] - [ 0.0011082500000000, -0.0001264100000000, 0.0006396800000000 ] - [ 0.0010199700000000, -0.0003742300000000, 0.0001200400000000 ] - [ -0.0099780300000000, -0.0142732700000000, -0.0041698900000000 ] - [ 0.0037172600000000, 0.0010831600000000, -0.0009172900000000 ] - [ 0.0023132800000000, 0.0005765900000000, 0.0023849700000000 ] - [ -0.0006763900000000, -0.0004723500000000, 0.0000914400000000 ] - [ -0.0006522100000000, 0.0000415400000000, -0.0004630900000000 ] - [ -0.0126926500000000, 0.0056587000000000, -0.0130788300000000 ] - [ -0.0012198000000000, -0.0017793100000000, -0.0077614500000000 ] - [ -0.0057420200000000, -0.0025803100000000, 0.0006454200000000 ] - [ -0.0012241700000000, 0.0014180200000000, -0.0042361000000000 ] - [ -0.0002895200000000, 0.0001366200000000, -0.0001005500000000 ] - [ -0.0001980300000000, -0.0002525600000000, -0.0000672800000000 ] - [ -0.0001874700000000, -0.0000883100000000, -0.0006229000000000 ] - [ -0.0002705200000000, -0.0005984700000000, -0.0001527200000000 ] - [ 0.0003171200000000, -0.0002700800000000, 0.0000190200000000 ] - [ -0.0004327400000000, -0.0008994800000000, -0.0010120800000000 ] - [ -0.0038718600000000, 0.0035035100000000, -0.0007367700000000 ] - [ -0.0002559400000000, -0.0006264800000000, 0.0001132500000000 ] - [ -0.0008097400000000, -0.0000279300000000, 0.0003130300000000 ] - [ 0.0002131100000000, -0.0002580400000000, 0.0001364400000000 ] - [ -0.0003209400000000, -0.0003378500000000, 0.0000161000000000 ] - [ -0.0002333100000000, -0.0003628200000000, -0.0002654000000000 ] - [ 0.0008855100000000, -0.0001309400000000, 0.0003924300000000 ] - [ 0.0012004500000000, -0.0000875900000000, -0.0000308700000000 ] - [ 0.0002656900000000, -0.0003203000000000, 0.0002348400000000 ] - [ 0.0002732400000000, -0.0001888000000000, 0.0000735700000000 ] - [ 0.0003491500000000, -0.0003853900000000, 0.0001150900000000 ] - [ 0.0002721800000000, -0.0005279800000000, -0.0000843500000000 ] - [ 0.0003785700000000, -0.0004597000000000, 0.0002257000000000 ]- atom: 68 displacement: [ -0.0099999418370919, 0.0000000000000000, -0.0000341065210551 ] forces: - [ -0.0014237800000000, 0.0044921800000000, 0.0027050000000000 ] - [ 0.0000374400000000, 0.0014243000000000, -0.0001321300000000 ] - [ 0.0000046100000000, -0.0001163800000000, -0.0000036500000000 ] - [ 0.0000155600000000, -0.0000337900000000, 0.0000069500000000 ] - [ 0.0055747300000000, -0.0023532600000000, 0.0010756900000000 ] - [ -0.1068103400000000, 0.0246402400000000, 0.0421661200000000 ] - [ -0.0023441600000000, 0.0003312100000000, 0.0014580500000000 ] - [ 0.0011857700000000, 0.0008421600000000, 0.0001182300000000 ] - [ 0.0003051600000000, -0.0006911200000000, 0.0001026600000000 ] - [ -0.0001805800000000, -0.0005178200000000, -0.0000590300000000 ] - [ 0.0001513800000000, -0.0000163000000000, 0.0000506700000000 ] - [ 0.0006520000000000, 0.0015176400000000, 0.0001923500000000 ] - [ -0.0064084900000000, 0.0016530400000000, -0.0086214900000000 ] - [ 0.0034081700000000, 0.0010745800000000, 0.0012359500000000 ] - [ 0.0008561200000000, -0.0009879700000000, 0.0003897800000000 ] - [ 0.0016560100000000, -0.0007759900000000, 0.0002572000000000 ] - [ 0.0012611400000000, 0.0014366600000000, 0.0004211900000000 ] - [ -0.0165987000000000, 0.0094121000000000, -0.0056575000000000 ] - [ -0.0018477700000000, 0.0044387700000000, -0.0029076200000000 ] - [ 0.0013192900000000, 0.0002431700000000, 0.0005773200000000 ] - [ -0.0021700700000000, -0.0000589300000000, -0.0011898600000000 ] - [ 0.0001476900000000, -0.0001340700000000, -0.0000374100000000 ] - [ 0.0020259900000000, 0.0011039700000000, 0.0005461500000000 ] - [ -0.0002811300000000, -0.0003941000000000, -0.0001341800000000 ] - [ -0.0002200400000000, -0.0043617900000000, 0.0004691900000000 ] - [ -0.0016789100000000, -0.0003430600000000, -0.0013582900000000 ] - [ -0.0003332400000000, -0.0003583100000000, -0.0000544900000000 ] - [ 0.0000718100000000, -0.0001162600000000, 0.0001231400000000 ] - [ 0.0001413600000000, -0.0005490400000000, 0.0000217300000000 ] - [ -0.0002055100000000, -0.0005519400000000, -0.0000998200000000 ] - [ -0.0005763600000000, -0.0020138900000000, 0.0000049700000000 ] - [ -0.0005850400000000, -0.0008994100000000, -0.0004006300000000 ] - [ -0.0005551000000000, -0.0005002100000000, -0.0002104500000000 ] - [ 0.0000813600000000, -0.0005230200000000, 0.0001175000000000 ] - [ 0.0001623200000000, -0.0005857900000000, 0.0000939100000000 ] - [ -0.0000796900000000, -0.0006078000000000, -0.0000262100000000 ] - [ 0.0006108100000000, -0.0001492900000000, 0.0001757300000000 ] - [ -0.0022863200000000, -0.0015307800000000, -0.0038362300000000 ] - [ -0.0002391900000000, -0.0005055500000000, -0.0001886300000000 ] - [ 0.0020581000000000, 0.0003087400000000, 0.0003157900000000 ] - [ 0.0008319100000000, -0.0005512300000000, 0.0002475900000000 ] - [ 0.0010160300000000, -0.0006305900000000, 0.0001693900000000 ] - [ 0.0013552000000000, 0.0000511300000000, 0.0007075800000000 ] - [ -0.0067270700000000, 0.0083134600000000, -0.0008640400000000 ] - [ -0.0005463200000000, 0.0010750000000000, -0.0010001600000000 ] - [ 0.0002009300000000, -0.0000191800000000, 0.0000289000000000 ] - [ 0.0000720200000000, 0.0003328400000000, 0.0000326100000000 ] - [ 0.0001338600000000, 0.0001235800000000, 0.0000704200000000 ] - [ -0.0018388000000000, 0.0031240800000000, 0.0019817300000000 ] - [ -0.0014540900000000, -0.0030894800000000, 0.0015080000000000 ] - [ -0.0010084100000000, -0.0013723700000000, -0.0008316100000000 ] - [ -0.0001387400000000, 0.0004992200000000, 0.0002693700000000 ] - [ -0.0000025000000000, 0.0003534100000000, -0.0000155400000000 ] - [ -0.0000234100000000, 0.0004445000000000, -0.0001183700000000 ] - [ -0.0000315100000000, 0.0002540000000000, 0.0000751900000000 ] - [ -0.0010073900000000, -0.0005467300000000, 0.0016564900000000 ] - [ -0.0012445600000000, -0.0014269700000000, 0.0011072300000000 ] - [ -0.0007047900000000, -0.0003785800000000, -0.0011397600000000 ] - [ -0.0001808600000000, 0.0001692400000000, -0.0000850400000000 ] - [ 0.0000530800000000, 0.0001833500000000, -0.0000855100000000 ] - [ -0.0000806200000000, 0.0001814700000000, 0.0000829100000000 ] - [ -0.0013822600000000, 0.0005876800000000, -0.0015803000000000 ] - [ -0.0010969300000000, -0.0004941400000000, -0.0007758200000000 ] - [ -0.0034167400000000, 0.0031693500000000, 0.0043186100000000 ] - [ -0.0014566000000000, -0.0006102200000000, -0.0009073100000000 ] - [ -0.0009022000000000, -0.0000465600000000, -0.0002774500000000 ] - [ -0.0022241500000000, 0.0013265800000000, -0.0004895900000000 ] - [ 0.1195937500000000, -0.0560135300000000, -0.0598961400000000 ] - [ -0.0009957200000000, -0.0007053500000000, -0.0000918300000000 ] - [ -0.0008029700000000, -0.0006143100000000, -0.0002564400000000 ] - [ -0.0010679300000000, 0.0001801400000000, -0.0003867400000000 ] - [ -0.0012817300000000, 0.0003554200000000, -0.0002126300000000 ] - [ 0.0100968000000000, 0.0146027000000000, 0.0043552600000000 ] - [ -0.0039799100000000, -0.0010629600000000, 0.0008194200000000 ] - [ -0.0025233200000000, -0.0006205900000000, -0.0026143700000000 ] - [ 0.0009368300000000, 0.0001568700000000, 0.0000760400000000 ] - [ 0.0006074000000000, -0.0000945900000000, 0.0002080500000000 ] - [ 0.0128345600000000, -0.0056644700000000, 0.0132616400000000 ] - [ 0.0012830600000000, 0.0018024400000000, 0.0078472500000000 ] - [ 0.0060413300000000, 0.0025450100000000, -0.0005533600000000 ] - [ 0.0012179700000000, -0.0013474000000000, 0.0039750100000000 ] - [ 0.0004960700000000, -0.0000932200000000, 0.0003393300000000 ] - [ 0.0001861000000000, 0.0002534000000000, 0.0000073100000000 ] - [ -0.0000160000000000, 0.0001294100000000, 0.0003953900000000 ] - [ 0.0000135900000000, 0.0009130100000000, -0.0000130100000000 ] - [ -0.0000630000000000, 0.0002933300000000, 0.0000736900000000 ] - [ 0.0004864700000000, 0.0008524100000000, 0.0012700700000000 ] - [ 0.0036379700000000, -0.0038441800000000, 0.0005780800000000 ] - [ 0.0003042700000000, 0.0006806300000000, 0.0001431800000000 ] - [ 0.0005616700000000, 0.0000071100000000, -0.0004090600000000 ] - [ 0.0000433300000000, 0.0005701400000000, 0.0000280200000000 ] - [ 0.0000667600000000, 0.0003609700000000, -0.0001098700000000 ] - [ 0.0000307500000000, 0.0003215200000000, 0.0000340000000000 ] - [ -0.0006312100000000, -0.0001814700000000, -0.0002275700000000 ] - [ -0.0012540300000000, 0.0000336400000000, -0.0002283400000000 ] - [ -0.0000626500000000, 0.0002788600000000, -0.0000038800000000 ] - [ -0.0002631800000000, 0.0001892700000000, -0.0000140600000000 ] - [ -0.0000959000000000, 0.0003645000000000, -0.0000217600000000 ] - [ -0.0003223100000000, 0.0005828400000000, -0.0001728500000000 ] - [ -0.0001762900000000, 0.0005027500000000, 0.0000070200000000 ]- atom: 68 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012648000000000, 0.0007939400000000, 0.0006795200000000 ] - [ -0.0000493800000000, 0.0005501200000000, 0.0003124800000000 ] - [ 0.0000100600000000, -0.0003998000000000, -0.0000022000000000 ] - [ -0.0000236800000000, -0.0003626800000000, -0.0000321800000000 ] - [ 0.0010704400000000, 0.0007604300000000, 0.0001308700000000 ] - [ -0.0303898700000000, 0.0359631900000000, 0.0167860900000000 ] - [ -0.0028883200000000, -0.0019594900000000, 0.0021790400000000 ] - [ 0.0002408500000000, 0.0000151500000000, -0.0001145800000000 ] - [ 0.0004567300000000, -0.0015244200000000, 0.0001573800000000 ] - [ -0.0003714900000000, -0.0011848800000000, -0.0001140300000000 ] - [ -0.0005972100000000, -0.0001274700000000, -0.0001449500000000 ] - [ -0.0006473600000000, -0.0019053200000000, 0.0000407000000000 ] - [ -0.0007029500000000, 0.0080781000000000, -0.0023122300000000 ] - [ 0.0022467800000000, 0.0016161200000000, 0.0011241700000000 ] - [ 0.0005100100000000, 0.0001281500000000, 0.0002158000000000 ] - [ 0.0005090700000000, 0.0000383500000000, 0.0000858100000000 ] - [ 0.0001500700000000, 0.0003938600000000, -0.0000811000000000 ] - [ -0.0130811100000000, 0.0158232500000000, -0.0059481700000000 ] - [ 0.0005698800000000, 0.0031993000000000, -0.0007412600000000 ] - [ 0.0001582000000000, 0.0018766500000000, -0.0000127900000000 ] - [ -0.0013209500000000, -0.0013664900000000, -0.0016835000000000 ] - [ 0.0000608700000000, -0.0009303100000000, -0.0000439600000000 ] - [ 0.0009449900000000, 0.0016719700000000, 0.0000411800000000 ] - [ -0.0003518200000000, -0.0014295900000000, -0.0001154700000000 ] - [ 0.0024896100000000, -0.0052183000000000, 0.0003253500000000 ] - [ 0.0012417400000000, -0.0008318700000000, 0.0004831200000000 ] - [ -0.0003126600000000, -0.0012561100000000, -0.0000681300000000 ] - [ 0.0000471500000000, -0.0009081200000000, 0.0000937300000000 ] - [ 0.0000747200000000, -0.0015090200000000, 0.0000161100000000 ] - [ 0.0002216900000000, -0.0016620300000000, -0.0000325800000000 ] - [ 0.0000015500000000, -0.0029244200000000, 0.0000100300000000 ] - [ -0.0002333900000000, -0.0016304900000000, -0.0002373600000000 ] - [ -0.0003170700000000, -0.0018675100000000, -0.0000851900000000 ] - [ 0.0000815800000000, -0.0010486600000000, 0.0000607500000000 ] - [ 0.0001405000000000, -0.0011219300000000, 0.0001472000000000 ] - [ -0.0000579000000000, -0.0017282100000000, -0.0000405800000000 ] - [ -0.0004861300000000, -0.0009705700000000, -0.0001642900000000 ] - [ -0.0024285400000000, 0.0011654600000000, -0.0028342900000000 ] - [ 0.0001310800000000, -0.0015290700000000, -0.0000801200000000 ] - [ -0.0010902200000000, 0.0014658700000000, -0.0005161100000000 ] - [ 0.0007322400000000, -0.0010315600000000, 0.0002172000000000 ] - [ 0.0008019900000000, -0.0010965800000000, 0.0001374500000000 ] - [ -0.0005795100000000, 0.0016196800000000, -0.0001359300000000 ] - [ -0.0029469900000000, -0.0007942900000000, 0.0034250500000000 ] - [ -0.0005257500000000, -0.0006612400000000, -0.0003035000000000 ] - [ 0.0002787700000000, 0.0004998800000000, 0.0000986000000000 ] - [ 0.0000597600000000, 0.0008449400000000, 0.0000503200000000 ] - [ 0.0001620100000000, 0.0006836600000000, 0.0000238700000000 ] - [ -0.0010328300000000, -0.0006200200000000, 0.0005220300000000 ] - [ -0.0006571500000000, -0.0019171300000000, 0.0004495600000000 ] - [ 0.0009871100000000, -0.0007872800000000, -0.0001731100000000 ] - [ -0.0004764100000000, 0.0009222700000000, 0.0002801000000000 ] - [ -0.0000813900000000, 0.0009632100000000, -0.0000569000000000 ] - [ -0.0003287700000000, 0.0005143700000000, -0.0002275800000000 ] - [ -0.0001392300000000, 0.0007647900000000, 0.0000813500000000 ] - [ 0.0020230800000000, 0.0017131300000000, -0.0009416200000000 ] - [ -0.0008313000000000, -0.0036705700000000, 0.0008769200000000 ] - [ 0.0010917700000000, 0.0006643700000000, 0.0009372000000000 ] - [ -0.0001935500000000, 0.0006272000000000, -0.0001126000000000 ] - [ 0.0001512900000000, 0.0006951000000000, -0.0000064700000000 ] - [ 0.0000287200000000, 0.0006978300000000, 0.0000617600000000 ] - [ -0.0014241700000000, 0.0006545300000000, -0.0012674400000000 ] - [ -0.0001642100000000, -0.0018342400000000, -0.0001832100000000 ] - [ -0.0030923900000000, 0.0033248800000000, 0.0034252300000000 ] - [ -0.0007437200000000, -0.0008800400000000, -0.0006636500000000 ] - [ -0.0000675500000000, -0.0000406800000000, 0.0000227400000000 ] - [ 0.0002532600000000, -0.0009583800000000, -0.0000783400000000 ] - [ 0.0571196400000000, -0.0806428400000000, -0.0360642800000000 ] - [ -0.0006078900000000, 0.0002541600000000, -0.0000505300000000 ] - [ -0.0004225700000000, 0.0002174000000000, -0.0001213200000000 ] - [ 0.0003808800000000, -0.0008647300000000, 0.0004072500000000 ] - [ -0.0004969100000000, 0.0002361700000000, -0.0000778300000000 ] - [ -0.0124756100000000, 0.0235864000000000, 0.0159858200000000 ] - [ -0.0012159000000000, -0.0016832600000000, 0.0002173600000000 ] - [ -0.0005476600000000, -0.0013029400000000, -0.0006288800000000 ] - [ 0.0006484100000000, 0.0016062000000000, -0.0002847900000000 ] - [ 0.0002592600000000, 0.0009414500000000, 0.0002297200000000 ] - [ 0.0049792200000000, -0.0062657200000000, 0.0036633800000000 ] - [ -0.0004089300000000, 0.0007727400000000, 0.0073344100000000 ] - [ 0.0026963000000000, 0.0044601900000000, -0.0003839700000000 ] - [ 0.0000128300000000, 0.0002266300000000, -0.0047973200000000 ] - [ 0.0000578900000000, 0.0002283400000000, -0.0000820100000000 ] - [ -0.0000907600000000, 0.0011877000000000, -0.0000127300000000 ] - [ -0.0003132300000000, 0.0011517400000000, -0.0006415500000000 ] - [ -0.0001341900000000, 0.0018460300000000, -0.0000830200000000 ] - [ -0.0001548500000000, 0.0007775200000000, 0.0001840000000000 ] - [ 0.0004924000000000, 0.0018997300000000, 0.0013672500000000 ] - [ -0.0013333500000000, 0.0029292600000000, -0.0005709600000000 ] - [ 0.0001340600000000, 0.0014317100000000, 0.0001351100000000 ] - [ -0.0001474800000000, 0.0014152400000000, 0.0002856700000000 ] - [ 0.0002269800000000, 0.0013342600000000, 0.0001162000000000 ] - [ 0.0002229900000000, 0.0010121800000000, -0.0002410400000000 ] - [ 0.0000782800000000, 0.0009299300000000, 0.0002146800000000 ] - [ 0.0000897400000000, -0.0002098300000000, 0.0000976500000000 ] - [ -0.0002930700000000, -0.0003235400000000, -0.0001744900000000 ] - [ -0.0000735700000000, 0.0007658800000000, -0.0001412400000000 ] - [ -0.0000126300000000, 0.0010066900000000, 0.0000476300000000 ] - [ 0.0005028200000000, 0.0004008100000000, 0.0000029000000000 ] - [ -0.0001268900000000, 0.0012016100000000, -0.0001845700000000 ] - [ 0.0003964500000000, 0.0004319500000000, 0.0003082400000000 ]- atom: 68 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012655700000000, -0.0007917900000000, -0.0006747500000000 ] - [ 0.0000454000000000, -0.0004991500000000, -0.0002916800000000 ] - [ -0.0000065600000000, 0.0003609600000000, -0.0000140300000000 ] - [ 0.0000197400000000, 0.0003994400000000, 0.0000487500000000 ] - [ -0.0006254400000000, -0.0011939400000000, 0.0000353200000000 ] - [ 0.0303346900000000, -0.0362184800000000, -0.0173902900000000 ] - [ 0.0024495000000000, 0.0023592800000000, -0.0023164500000000 ] - [ 0.0001725100000000, 0.0004018400000000, 0.0002643900000000 ] - [ -0.0000506800000000, 0.0011058600000000, 0.0000013700000000 ] - [ -0.0000363900000000, 0.0007679500000000, -0.0000363100000000 ] - [ 0.0001948200000000, 0.0005371100000000, -0.0000130800000000 ] - [ 0.0010504400000000, 0.0023131200000000, 0.0001079100000000 ] - [ 0.0008234200000000, -0.0081614700000000, 0.0022780200000000 ] - [ -0.0021113000000000, -0.0016039700000000, -0.0011995500000000 ] - [ -0.0004870400000000, -0.0001177200000000, -0.0001184100000000 ] - [ -0.0004048200000000, 0.0000082100000000, -0.0001058900000000 ] - [ -0.0003004700000000, -0.0002567700000000, 0.0000653500000000 ] - [ 0.0122278600000000, -0.0152077600000000, 0.0060304000000000 ] - [ -0.0006142700000000, -0.0031534700000000, 0.0009296200000000 ] - [ -0.0003041300000000, -0.0019998500000000, -0.0000017400000000 ] - [ 0.0014629400000000, 0.0014923900000000, 0.0016822400000000 ] - [ 0.0000325000000000, 0.0008762600000000, 0.0000241200000000 ] - [ -0.0008949400000000, -0.0016598800000000, -0.0002481700000000 ] - [ 0.0003289500000000, 0.0014043200000000, 0.0000201300000000 ] - [ -0.0025211600000000, 0.0052440000000000, -0.0004278900000000 ] - [ -0.0013442800000000, 0.0008729800000000, -0.0004658200000000 ] - [ 0.0002165700000000, 0.0011984900000000, 0.0000873100000000 ] - [ -0.0000276300000000, 0.0008874800000000, 0.0000000000000000 ] - [ 0.0000828500000000, 0.0013790000000000, 0.0000005300000000 ] - [ -0.0001146100000000, 0.0016577700000000, -0.0000570900000000 ] - [ 0.0000223700000000, 0.0029232300000000, 0.0000838900000000 ] - [ 0.0003260400000000, 0.0016761000000000, 0.0002156500000000 ] - [ 0.0001578200000000, 0.0019925800000000, 0.0000680100000000 ] - [ -0.0001894200000000, 0.0010441400000000, 0.0000291800000000 ] - [ -0.0001801500000000, 0.0011167300000000, 0.0000607200000000 ] - [ -0.0000982000000000, 0.0015962900000000, 0.0000246000000000 ] - [ 0.0006476100000000, 0.0010940500000000, 0.0001818100000000 ] - [ 0.0025152800000000, -0.0012379100000000, 0.0028181200000000 ] - [ -0.0000919500000000, 0.0015242300000000, -0.0001281800000000 ] - [ 0.0010823600000000, -0.0014857500000000, 0.0004247000000000 ] - [ -0.0007476100000000, 0.0010485900000000, -0.0003094500000000 ] - [ -0.0008878500000000, 0.0011451200000000, -0.0001162500000000 ] - [ 0.0004945300000000, -0.0016744100000000, 0.0001592700000000 ] - [ 0.0028153000000000, 0.0005656100000000, -0.0033439200000000 ] - [ 0.0006221000000000, 0.0004689400000000, 0.0003827500000000 ] - [ -0.0001775900000000, -0.0003008300000000, -0.0000138400000000 ] - [ 0.0000455800000000, -0.0006543500000000, -0.0000155100000000 ] - [ -0.0002582800000000, -0.0004834300000000, -0.0001077500000000 ] - [ 0.0009278700000000, 0.0004493300000000, -0.0006002900000000 ] - [ 0.0007574400000000, 0.0018966300000000, -0.0005385300000000 ] - [ -0.0010882900000000, 0.0007911100000000, 0.0002692900000000 ] - [ 0.0003739000000000, -0.0011078700000000, -0.0003158700000000 ] - [ -0.0000230900000000, -0.0007717400000000, 0.0000214700000000 ] - [ 0.0004339100000000, -0.0007001000000000, 0.0002632100000000 ] - [ 0.0002346300000000, -0.0009645300000000, 0.0000047000000000 ] - [ -0.0019331700000000, -0.0015178900000000, 0.0010355500000000 ] - [ 0.0009279400000000, 0.0038455400000000, -0.0008321100000000 ] - [ -0.0011938700000000, -0.0004644500000000, -0.0010281600000000 ] - [ 0.0000944900000000, -0.0008292000000000, 0.0000249200000000 ] - [ -0.0000371000000000, -0.0006882300000000, -0.0000892100000000 ] - [ -0.0001438400000000, -0.0006900900000000, 0.0000344400000000 ] - [ 0.0013145800000000, -0.0008427300000000, 0.0012247500000000 ] - [ 0.0000607100000000, 0.0020170000000000, 0.0001460200000000 ] - [ 0.0031741800000000, -0.0034905400000000, -0.0033648900000000 ] - [ 0.0007249500000000, 0.0008728300000000, 0.0005967400000000 ] - [ -0.0001405900000000, 0.0000827300000000, -0.0002567400000000 ] - [ -0.0005255300000000, 0.0012812800000000, -0.0000905800000000 ] - [ -0.0564585000000000, 0.0804062800000000, 0.0368382500000000 ] - [ 0.0006501200000000, -0.0003115900000000, 0.0003055600000000 ] - [ 0.0001582200000000, -0.0005369700000000, -0.0000445400000000 ] - [ -0.0003384500000000, 0.0009204400000000, -0.0001543300000000 ] - [ 0.0002329600000000, -0.0002560600000000, -0.0000141100000000 ] - [ 0.0129799100000000, -0.0237348300000000, -0.0162181800000000 ] - [ 0.0009321200000000, 0.0016972700000000, -0.0003052600000000 ] - [ 0.0003262000000000, 0.0012566100000000, 0.0003791800000000 ] - [ -0.0003823100000000, -0.0019104300000000, 0.0004452900000000 ] - [ -0.0003044900000000, -0.0009921800000000, -0.0004815100000000 ] - [ -0.0047349200000000, 0.0061875200000000, -0.0033473200000000 ] - [ 0.0003984200000000, -0.0007372100000000, -0.0071798300000000 ] - [ -0.0024325000000000, -0.0044248200000000, 0.0004785000000000 ] - [ -0.0000785200000000, -0.0001696600000000, 0.0045729800000000 ] - [ 0.0001458700000000, -0.0001872800000000, 0.0003129300000000 ] - [ 0.0000810200000000, -0.0011853100000000, -0.0000466900000000 ] - [ 0.0001103900000000, -0.0011058100000000, 0.0004112400000000 ] - [ -0.0001235000000000, -0.0015254000000000, -0.0000826700000000 ] - [ 0.0004074500000000, -0.0007532000000000, -0.0000896800000000 ] - [ -0.0004408400000000, -0.0019610600000000, -0.0011235500000000 ] - [ 0.0010815200000000, -0.0032318900000000, 0.0004112900000000 ] - [ -0.0000841200000000, -0.0013744100000000, 0.0001208600000000 ] - [ -0.0001083800000000, -0.0014344100000000, -0.0003792500000000 ] - [ 0.0000317600000000, -0.0010188400000000, 0.0000483600000000 ] - [ -0.0004762100000000, -0.0009870100000000, 0.0001455700000000 ] - [ -0.0002810100000000, -0.0009698200000000, -0.0004436800000000 ] - [ 0.0001656300000000, -0.0001018300000000, 0.0000661300000000 ] - [ 0.0002376000000000, 0.0002732800000000, -0.0000816200000000 ] - [ 0.0002765500000000, -0.0008067500000000, 0.0003703600000000 ] - [ 0.0000227400000000, -0.0010045800000000, 0.0000116800000000 ] - [ -0.0002484600000000, -0.0004192600000000, 0.0000909500000000 ] - [ 0.0000772200000000, -0.0011465600000000, -0.0000725500000000 ] - [ -0.0001934500000000, -0.0003845000000000, -0.0000772100000000 ]- atom: 68 displacement: [ -0.0028145825136884, 0.0000000000000000, 0.0095957347438140 ] forces: - [ 0.0000267700000000, 0.0033496200000000, 0.0007300400000000 ] - [ 0.0001121800000000, 0.0003230700000000, -0.0002387100000000 ] - [ 0.0000043900000000, -0.0001038900000000, -0.0000041400000000 ] - [ 0.0000109100000000, -0.0000448700000000, -0.0000160700000000 ] - [ 0.0029271800000000, -0.0013942900000000, 0.0006680400000000 ] - [ -0.0766840700000000, 0.0220924800000000, 0.0617189900000000 ] - [ -0.0009628800000000, 0.0002338800000000, 0.0007451200000000 ] - [ 0.0001662200000000, 0.0004411500000000, 0.0000453900000000 ] - [ 0.0002619200000000, -0.0005570600000000, 0.0001011800000000 ] - [ -0.0002307300000000, -0.0004486000000000, -0.0000592000000000 ] - [ -0.0001447600000000, 0.0000832500000000, -0.0000387100000000 ] - [ 0.0001758400000000, 0.0004846500000000, 0.0002596300000000 ] - [ 0.0062966700000000, 0.0013557200000000, -0.0105829400000000 ] - [ 0.0012408600000000, 0.0007653600000000, 0.0003739200000000 ] - [ 0.0002688200000000, -0.0002341000000000, 0.0000305100000000 ] - [ 0.0006248300000000, -0.0001347100000000, 0.0002018900000000 ] - [ 0.0001812900000000, 0.0004296300000000, 0.0001037600000000 ] - [ -0.0010779000000000, -0.0021967900000000, 0.0023083300000000 ] - [ -0.0002182700000000, 0.0049174400000000, -0.0040836300000000 ] - [ -0.0005796100000000, 0.0004143100000000, 0.0000368600000000 ] - [ -0.0012246900000000, -0.0016364500000000, -0.0007060700000000 ] - [ 0.0000156200000000, -0.0002305300000000, -0.0000459300000000 ] - [ 0.0005259700000000, 0.0007700300000000, 0.0000998000000000 ] - [ -0.0000860500000000, -0.0003972500000000, -0.0000649600000000 ] - [ 0.0012460500000000, -0.0047346900000000, -0.0000257100000000 ] - [ -0.0010443200000000, 0.0014663900000000, -0.0005642000000000 ] - [ -0.0001160400000000, -0.0004141600000000, -0.0000137800000000 ] - [ -0.0000086100000000, -0.0002515200000000, 0.0000580500000000 ] - [ 0.0000815400000000, -0.0004152200000000, 0.0000021000000000 ] - [ 0.0000087300000000, -0.0005426800000000, -0.0000748100000000 ] - [ 0.0000341700000000, -0.0008776400000000, 0.0000315800000000 ] - [ 0.0000095400000000, -0.0003635300000000, -0.0000806500000000 ] - [ -0.0003153800000000, -0.0004004800000000, -0.0001453800000000 ] - [ 0.0000384000000000, -0.0003197600000000, 0.0000745300000000 ] - [ 0.0001231600000000, -0.0003974500000000, 0.0001015300000000 ] - [ -0.0000749100000000, -0.0004739600000000, -0.0000192100000000 ] - [ 0.0002142100000000, -0.0000495600000000, 0.0000910700000000 ] - [ -0.0006242000000000, -0.0022171300000000, -0.0048282500000000 ] - [ -0.0000862800000000, -0.0003802800000000, -0.0001535800000000 ] - [ 0.0006231200000000, 0.0001149300000000, -0.0000329400000000 ] - [ 0.0002353500000000, -0.0002677700000000, 0.0000054200000000 ] - [ 0.0002718900000000, -0.0003075900000000, 0.0000802000000000 ] - [ 0.0002554300000000, -0.0000082600000000, 0.0003243900000000 ] - [ -0.0017370100000000, 0.0057746000000000, 0.0049910300000000 ] - [ -0.0002079900000000, 0.0005520900000000, -0.0008496800000000 ] - [ 0.0001750900000000, 0.0002368700000000, 0.0000514900000000 ] - [ 0.0000542300000000, 0.0003007400000000, 0.0000313700000000 ] - [ 0.0000369600000000, 0.0003393400000000, 0.0000578000000000 ] - [ -0.0007964600000000, -0.0004077400000000, 0.0025523000000000 ] - [ -0.0002911900000000, -0.0001642200000000, 0.0023325500000000 ] - [ 0.0003533200000000, -0.0009167800000000, -0.0004796300000000 ] - [ -0.0003555100000000, 0.0003468800000000, 0.0004614100000000 ] - [ -0.0000533200000000, 0.0003297100000000, -0.0000175000000000 ] - [ -0.0000898200000000, 0.0002090700000000, -0.0001788300000000 ] - [ 0.0000003100000000, 0.0001142100000000, 0.0000498600000000 ] - [ 0.0001276400000000, 0.0003755500000000, 0.0007536000000000 ] - [ -0.0008011300000000, -0.0005285800000000, 0.0004043300000000 ] - [ -0.0004048500000000, -0.0003193500000000, -0.0006281000000000 ] - [ -0.0000999500000000, 0.0000756300000000, -0.0000569300000000 ] - [ 0.0000799900000000, 0.0001637600000000, -0.0000355100000000 ] - [ -0.0000454100000000, 0.0001492200000000, 0.0000429700000000 ] - [ -0.0007463900000000, 0.0003012700000000, -0.0008906100000000 ] - [ 0.0000226800000000, -0.0004013700000000, -0.0001328300000000 ] - [ -0.0007930900000000, 0.0002144400000000, 0.0015133600000000 ] - [ -0.0002188500000000, -0.0002097100000000, -0.0002429600000000 ] - [ -0.0001063700000000, -0.0000882600000000, -0.0000278000000000 ] - [ -0.0009939000000000, 0.0006336600000000, -0.0002452300000000 ] - [ 0.0911818900000000, -0.0497440600000000, -0.1013411400000000 ] - [ -0.0002972400000000, -0.0001507100000000, 0.0000658300000000 ] - [ -0.0001808700000000, -0.0000920300000000, -0.0001117400000000 ] - [ -0.0000292800000000, -0.0002758900000000, 0.0000410400000000 ] - [ -0.0002892300000000, 0.0000605000000000, -0.0001017800000000 ] - [ 0.0006714900000000, 0.0220225100000000, 0.0040462400000000 ] - [ -0.0020462200000000, -0.0005400200000000, 0.0006389200000000 ] - [ -0.0010897900000000, -0.0003708000000000, -0.0016676900000000 ] - [ 0.0002967700000000, 0.0003390600000000, 0.0000254400000000 ] - [ -0.0000615800000000, 0.0002954700000000, -0.0000653800000000 ] - [ -0.0093353800000000, -0.0008944900000000, 0.0288374300000000 ] - [ -0.0047487600000000, 0.0062218700000000, 0.0077076300000000 ] - [ 0.0023536700000000, 0.0011137500000000, -0.0001755700000000 ] - [ -0.0029691200000000, -0.0057542500000000, 0.0043043200000000 ] - [ -0.0000594900000000, -0.0001085300000000, 0.0004964600000000 ] - [ 0.0000403400000000, 0.0002552200000000, 0.0000118000000000 ] - [ -0.0002438800000000, 0.0001157200000000, -0.0000771300000000 ] - [ -0.0001408500000000, 0.0006002000000000, -0.0000932200000000 ] - [ 0.0000481700000000, 0.0002212100000000, 0.0000718100000000 ] - [ -0.0001062400000000, 0.0005530800000000, 0.0016956400000000 ] - [ 0.0014214900000000, -0.0010221100000000, -0.0000293800000000 ] - [ 0.0000365000000000, 0.0003749800000000, 0.0001303700000000 ] - [ 0.0004120300000000, 0.0003133000000000, -0.0001251700000000 ] - [ 0.0001664200000000, 0.0004290700000000, 0.0000733300000000 ] - [ -0.0000127200000000, 0.0002938700000000, -0.0000989000000000 ] - [ -0.0000314900000000, 0.0002485700000000, -0.0000242600000000 ] - [ -0.0001660300000000, -0.0001453700000000, -0.0000263700000000 ] - [ -0.0003831200000000, 0.0000083100000000, -0.0001074500000000 ] - [ 0.0000133300000000, 0.0002284500000000, 0.0000311800000000 ] - [ -0.0001441200000000, 0.0001612400000000, 0.0000330700000000 ] - [ 0.0001305600000000, 0.0001366000000000, -0.0000189100000000 ] - [ -0.0000755600000000, 0.0003381800000000, -0.0001181600000000 ] - [ 0.0000269700000000, 0.0002443400000000, 0.0001018400000000 ]- atom: 68 displacement: [ 0.0028145825136884, 0.0000000000000000, -0.0095957347438140 ] forces: - [ 0.0000055600000000, -0.0033728400000000, -0.0007502100000000 ] - [ -0.0001122700000000, -0.0002838500000000, 0.0002502800000000 ] - [ -0.0000010000000000, 0.0000645500000000, -0.0000122900000000 ] - [ -0.0000145900000000, 0.0000886000000000, 0.0000325600000000 ] - [ -0.0025052800000000, 0.0009632300000000, -0.0005032400000000 ] - [ 0.0808085700000000, -0.0245769200000000, -0.0649427400000000 ] - [ 0.0005650200000000, 0.0001803300000000, -0.0009258400000000 ] - [ 0.0002372600000000, -0.0000262600000000, 0.0001047400000000 ] - [ 0.0001409700000000, 0.0001442800000000, 0.0000576800000000 ] - [ -0.0001729900000000, 0.0000361400000000, -0.0000899700000000 ] - [ -0.0002583700000000, 0.0003303600000000, -0.0001199200000000 ] - [ 0.0002258300000000, -0.0000751100000000, -0.0001104600000000 ] - [ -0.0061290600000000, -0.0015027200000000, 0.0109876000000000 ] - [ -0.0011480800000000, -0.0007682500000000, -0.0004749800000000 ] - [ -0.0002535200000000, 0.0002519600000000, 0.0000607300000000 ] - [ -0.0005321300000000, 0.0001907300000000, -0.0002210800000000 ] - [ -0.0003336900000000, -0.0003062600000000, -0.0001156500000000 ] - [ 0.0010196000000000, 0.0021396900000000, -0.0021246300000000 ] - [ 0.0002274200000000, -0.0049504500000000, 0.0043018700000000 ] - [ 0.0004127500000000, -0.0005430900000000, -0.0000519200000000 ] - [ 0.0013633800000000, 0.0017387600000000, 0.0007265700000000 ] - [ 0.0000814600000000, 0.0001788500000000, 0.0000254200000000 ] - [ -0.0004942900000000, -0.0007740500000000, -0.0003071900000000 ] - [ 0.0000648500000000, 0.0003819000000000, -0.0000309600000000 ] - [ -0.0012765400000000, 0.0047644700000000, -0.0000762500000000 ] - [ 0.0009353800000000, -0.0013916500000000, 0.0005872200000000 ] - [ 0.0000176200000000, 0.0003603000000000, 0.0000342700000000 ] - [ 0.0000296000000000, 0.0002356700000000, 0.0000366100000000 ] - [ 0.0000690400000000, 0.0002960500000000, 0.0000109700000000 ] - [ 0.0000927700000000, 0.0005467600000000, -0.0000186800000000 ] - [ -0.0000080600000000, 0.0009062300000000, 0.0000654200000000 ] - [ 0.0000958000000000, 0.0004196100000000, 0.0000631100000000 ] - [ 0.0001697600000000, 0.0005288200000000, 0.0001341200000000 ] - [ -0.0001400000000000, 0.0003225000000000, 0.0000178700000000 ] - [ -0.0001548700000000, 0.0004004200000000, 0.0001075700000000 ] - [ -0.0000751800000000, 0.0003544800000000, 0.0000058000000000 ] - [ -0.0000663900000000, 0.0001725300000000, -0.0000777800000000 ] - [ 0.0007527800000000, 0.0021937200000000, 0.0048113500000000 ] - [ 0.0001176000000000, 0.0003844300000000, -0.0000554200000000 ] - [ -0.0006517700000000, -0.0001338500000000, -0.0000679900000000 ] - [ -0.0002605200000000, 0.0002883700000000, -0.0001024300000000 ] - [ -0.0003754100000000, 0.0003656200000000, -0.0000602200000000 ] - [ -0.0003570600000000, -0.0000459900000000, -0.0003030600000000 ] - [ 0.0017702200000000, -0.0058337400000000, -0.0048364100000000 ] - [ 0.0003147500000000, -0.0007517000000000, 0.0009287500000000 ] - [ -0.0000730900000000, -0.0000325100000000, 0.0000323300000000 ] - [ 0.0000528100000000, -0.0001109400000000, 0.0000032700000000 ] - [ -0.0001373700000000, -0.0001355100000000, -0.0001403100000000 ] - [ 0.0007078400000000, 0.0001880900000000, -0.0026162500000000 ] - [ 0.0004027200000000, 0.0001649800000000, -0.0023929600000000 ] - [ -0.0004701400000000, 0.0009057300000000, 0.0005548700000000 ] - [ 0.0002501100000000, -0.0005408200000000, -0.0004954700000000 ] - [ -0.0000533300000000, -0.0001409600000000, -0.0000174400000000 ] - [ 0.0001982300000000, -0.0004019800000000, 0.0002146700000000 ] - [ 0.0001004600000000, -0.0003169400000000, 0.0000325100000000 ] - [ -0.0000174200000000, -0.0001653300000000, -0.0006887100000000 ] - [ 0.0008868400000000, 0.0007266800000000, -0.0003774400000000 ] - [ 0.0003024300000000, 0.0005208700000000, 0.0005498300000000 ] - [ -0.0000002700000000, -0.0002787200000000, -0.0000267000000000 ] - [ 0.0000326300000000, -0.0001628900000000, -0.0000534600000000 ] - [ -0.0000682600000000, -0.0001475800000000, 0.0000445800000000 ] - [ 0.0006417900000000, -0.0004931000000000, 0.0008612100000000 ] - [ -0.0001350100000000, 0.0005932700000000, 0.0000994700000000 ] - [ 0.0009237700000000, -0.0004308700000000, -0.0015182600000000 ] - [ 0.0002135600000000, 0.0002153700000000, 0.0001879400000000 ] - [ -0.0000969300000000, 0.0001296100000000, -0.0002005000000000 ] - [ 0.0007370900000000, -0.0003180000000000, 0.0000785400000000 ] - [ -0.0957661600000000, 0.0522123100000000, 0.1043073400000000 ] - [ 0.0003479300000000, 0.0000979900000000, 0.0001900900000000 ] - [ -0.0000745600000000, -0.0002170800000000, -0.0000522500000000 ] - [ 0.0000822700000000, 0.0003261500000000, 0.0002179000000000 ] - [ 0.0000391200000000, -0.0000859200000000, 0.0000058700000000 ] - [ -0.0003879700000000, -0.0219542100000000, -0.0038694600000000 ] - [ 0.0017920500000000, 0.0005675200000000, -0.0007324800000000 ] - [ 0.0008843400000000, 0.0003318300000000, 0.0014304400000000 ] - [ -0.0000433900000000, -0.0006481500000000, 0.0001425700000000 ] - [ 0.0000077000000000, -0.0003450500000000, -0.0001928200000000 ] - [ 0.0097790000000000, 0.0007840900000000, -0.0290458000000000 ] - [ 0.0047031200000000, -0.0060590800000000, -0.0075687600000000 ] - [ -0.0021161300000000, -0.0011590300000000, 0.0002811200000000 ] - [ 0.0029019800000000, 0.0056992400000000, -0.0045368600000000 ] - [ 0.0002675100000000, 0.0001633700000000, -0.0002505900000000 ] - [ -0.0000519000000000, -0.0002565500000000, -0.0000716400000000 ] - [ 0.0000385400000000, -0.0000762800000000, -0.0001531800000000 ] - [ -0.0001177800000000, -0.0002941800000000, -0.0000728300000000 ] - [ 0.0002053000000000, -0.0001982500000000, 0.0000237700000000 ] - [ 0.0001552500000000, -0.0006181000000000, -0.0014369200000000 ] - [ -0.0017044400000000, 0.0007280600000000, -0.0001354700000000 ] - [ 0.0000108100000000, -0.0003268200000000, 0.0001249600000000 ] - [ -0.0006664200000000, -0.0003372000000000, 0.0000304400000000 ] - [ 0.0000908900000000, -0.0001234400000000, 0.0000904400000000 ] - [ -0.0002413900000000, -0.0002718600000000, 0.0000023000000000 ] - [ -0.0001727000000000, -0.0002915500000000, -0.0002056000000000 ] - [ 0.0004256900000000, -0.0001631400000000, 0.0001922100000000 ] - [ 0.0003398700000000, -0.0000592600000000, -0.0001464900000000 ] - [ 0.0001908400000000, -0.0002708900000000, 0.0001969600000000 ] - [ 0.0001560600000000, -0.0001614700000000, 0.0000271400000000 ] - [ 0.0001232900000000, -0.0001611100000000, 0.0001154000000000 ] - [ 0.0000286600000000, -0.0002898000000000, -0.0001371700000000 ] - [ 0.0001772400000000, -0.0002032600000000, 0.0001264900000000 ]- atom: 69 displacement: [ 0.0099999418370919, 0.0000000000000000, 0.0000341065210551 ] forces: - [ 0.0001159800000000, -0.0006618200000000, -0.0001270600000000 ] - [ 0.0000719700000000, 0.0004885000000000, -0.0001311100000000 ] - [ -0.0000651500000000, -0.0002820900000000, -0.0000374100000000 ] - [ -0.0000040000000000, -0.0001867800000000, 0.0000088500000000 ] - [ 0.0007668400000000, -0.0004634900000000, 0.0002981600000000 ] - [ -0.0011161100000000, -0.0000968700000000, -0.0003255700000000 ] - [ -0.0015719400000000, 0.0004179200000000, -0.0003574900000000 ] - [ 0.0005507800000000, 0.0036939100000000, 0.0013105600000000 ] - [ -0.0010684800000000, -0.0011008900000000, 0.0001346000000000 ] - [ 0.0006031800000000, -0.0018761000000000, 0.0015413600000000 ] - [ 0.0000275600000000, 0.0001145700000000, 0.0000268700000000 ] - [ 0.0000322100000000, 0.0000657700000000, 0.0001008100000000 ] - [ -0.0005887900000000, -0.0001336400000000, -0.0001746700000000 ] - [ 0.0020693000000000, 0.0015140000000000, 0.0012550300000000 ] - [ 0.0000594000000000, -0.0001230800000000, 0.0000671200000000 ] - [ 0.0001076300000000, -0.0001321400000000, -0.0000102600000000 ] - [ 0.0209572900000000, 0.0093627800000000, 0.0042397100000000 ] - [ -0.0013055800000000, 0.0013410200000000, -0.0002940900000000 ] - [ -0.0013098700000000, 0.0013772900000000, -0.0002101000000000 ] - [ 0.0001105200000000, -0.0017723200000000, 0.0000350000000000 ] - [ -0.0022788000000000, 0.0003969900000000, -0.0007103300000000 ] - [ 0.0158454800000000, -0.0052963000000000, -0.0000043700000000 ] - [ 0.0021499700000000, 0.0020536800000000, -0.0004080100000000 ] - [ -0.0019625700000000, 0.0002169000000000, -0.0005821800000000 ] - [ -0.0001186800000000, -0.0001085100000000, -0.0000973000000000 ] - [ -0.0001980500000000, -0.0000827600000000, -0.0000226300000000 ] - [ -0.0026519000000000, 0.0001438100000000, -0.0007677600000000 ] - [ 0.0024385200000000, -0.0008940600000000, 0.0012673800000000 ] - [ 0.0013120600000000, -0.0020242900000000, -0.0001692900000000 ] - [ -0.0008106600000000, 0.0000726900000000, -0.0004160100000000 ] - [ -0.0030987800000000, 0.0004553200000000, -0.0005644800000000 ] - [ -0.0034671400000000, 0.0005663800000000, -0.0013407800000000 ] - [ -0.0001726600000000, -0.0003008200000000, -0.0000537500000000 ] - [ 0.0007266100000000, 0.0001804700000000, 0.0001993000000000 ] - [ 0.0003800100000000, 0.0010513200000000, 0.0000562300000000 ] - [ -0.0013776000000000, -0.0016159000000000, -0.0007751200000000 ] - [ 0.0002823300000000, -0.0002295700000000, 0.0000439600000000 ] - [ -0.0000221300000000, 0.0000446600000000, -0.0000704000000000 ] - [ -0.0007330900000000, -0.0000381800000000, -0.0002455100000000 ] - [ 0.0002148400000000, -0.0000384000000000, 0.0000719300000000 ] - [ 0.0167297200000000, -0.0005751600000000, 0.0177737100000000 ] - [ 0.0292878400000000, -0.0008456700000000, -0.0133457800000000 ] - [ 0.0001737500000000, -0.0000844400000000, 0.0000160600000000 ] - [ -0.0001013700000000, 0.0001100800000000, 0.0000705700000000 ] - [ 0.0000905200000000, 0.0000907900000000, 0.0000545300000000 ] - [ 0.0017177900000000, -0.0007328000000000, 0.0024827200000000 ] - [ 0.0003821000000000, -0.0018361800000000, 0.0023754000000000 ] - [ 0.0020447400000000, -0.0007410200000000, -0.0002165000000000 ] - [ 0.0000322700000000, 0.0000632800000000, 0.0000258300000000 ] - [ 0.0013123500000000, 0.0008995300000000, -0.0010735400000000 ] - [ 0.0006244500000000, 0.0014460700000000, 0.0022838600000000 ] - [ 0.0000522400000000, -0.0000374400000000, 0.0000431800000000 ] - [ 0.0009302800000000, -0.0004674400000000, -0.0002963000000000 ] - [ 0.0000487600000000, -0.0000849700000000, 0.0000587700000000 ] - [ 0.0053850000000000, 0.0038307700000000, 0.0003971600000000 ] - [ 0.0000288300000000, 0.0001799800000000, 0.0000395100000000 ] - [ -0.0000934300000000, -0.0002233100000000, -0.0000345400000000 ] - [ -0.0001043700000000, 0.0001843500000000, -0.0000631700000000 ] - [ 0.0026207300000000, 0.0020873500000000, 0.0010047900000000 ] - [ -0.0000140300000000, 0.0003747400000000, -0.0001222000000000 ] - [ -0.0000993100000000, 0.0003320400000000, 0.0000671300000000 ] - [ 0.0025083100000000, -0.0037005300000000, 0.0009835200000000 ] - [ -0.0004989400000000, 0.0000173500000000, -0.0000860100000000 ] - [ 0.0019302600000000, -0.0024632600000000, 0.0003866500000000 ] - [ -0.0062654100000000, 0.0034121900000000, -0.0020452200000000 ] - [ -0.0032528900000000, -0.0022270800000000, 0.0000109600000000 ] - [ -0.0003808700000000, 0.0004190600000000, -0.0001619400000000 ] - [ 0.0011485300000000, -0.0006206300000000, 0.0000096500000000 ] - [ -0.0721191200000000, -0.0080803500000000, -0.0043329300000000 ] - [ -0.0083871900000000, -0.0024180600000000, -0.0050877500000000 ] - [ -0.0003316400000000, 0.0004404700000000, 0.0000279400000000 ] - [ -0.0013404800000000, 0.0000202800000000, -0.0034601200000000 ] - [ 0.0005284900000000, 0.0003363500000000, 0.0001857800000000 ] - [ -0.0007593800000000, -0.0002739900000000, -0.0002678700000000 ] - [ -0.0007623900000000, -0.0003658600000000, -0.0002543600000000 ] - [ 0.0020351800000000, -0.0003808000000000, 0.0005851900000000 ] - [ 0.0022499500000000, -0.0004570200000000, 0.0005620000000000 ] - [ 0.0009412600000000, -0.0006720900000000, 0.0006713100000000 ] - [ 0.0013480600000000, 0.0000445700000000, 0.0003725300000000 ] - [ 0.0012174200000000, -0.0003700700000000, 0.0003081800000000 ] - [ 0.0001053100000000, 0.0001646900000000, -0.0000859900000000 ] - [ 0.0011668900000000, -0.0003156400000000, 0.0003885800000000 ] - [ 0.0008183200000000, 0.0007113700000000, 0.0002669000000000 ] - [ 0.0000488600000000, 0.0000334000000000, -0.0000945800000000 ] - [ 0.0013694200000000, 0.0007052800000000, 0.0002233300000000 ] - [ -0.0003325700000000, 0.0004775300000000, -0.0002198100000000 ] - [ 0.0001882900000000, 0.0001127800000000, 0.0001690300000000 ] - [ 0.0000118300000000, -0.0000594000000000, -0.0000490500000000 ] - [ 0.0018434700000000, 0.0004839500000000, 0.0006665400000000 ] - [ 0.0001697400000000, -0.0001122200000000, -0.0000141300000000 ] - [ -0.0028280500000000, 0.0016072100000000, -0.0014502100000000 ] - [ 0.0011004300000000, 0.0002769600000000, -0.0000650000000000 ] - [ 0.0007908100000000, 0.0002475200000000, 0.0003959700000000 ] - [ -0.0000036800000000, -0.0000580100000000, 0.0000221300000000 ] - [ -0.0001699600000000, 0.0001310500000000, -0.0001394100000000 ] - [ -0.0029286000000000, -0.0017060000000000, -0.0022247300000000 ] - [ -0.0007277600000000, 0.0005107800000000, -0.0000333700000000 ] - [ -0.0001529400000000, -0.0001197700000000, -0.0000194200000000 ] - [ -0.0060641700000000, 0.0043082600000000, -0.0004647400000000 ] - [ -0.0001641600000000, -0.0001308000000000, 0.0000181000000000 ]- atom: 69 displacement: [ -0.0099999418370919, 0.0000000000000000, -0.0000341065210551 ] forces: - [ -0.0001135600000000, 0.0006230300000000, 0.0001113100000000 ] - [ -0.0000743500000000, -0.0004598700000000, 0.0001474300000000 ] - [ 0.0000693800000000, 0.0002432600000000, 0.0000211800000000 ] - [ 0.0000010900000000, 0.0002228000000000, 0.0000075900000000 ] - [ -0.0003532900000000, 0.0000498100000000, -0.0001371600000000 ] - [ 0.0007034700000000, -0.0003149300000000, 0.0001756400000000 ] - [ 0.0011672900000000, -0.0000023400000000, 0.0001975900000000 ] - [ -0.0001550700000000, -0.0032465600000000, -0.0011647200000000 ] - [ 0.0014714100000000, 0.0006871700000000, 0.0000233600000000 ] - [ -0.0009972800000000, 0.0014878300000000, -0.0016976900000000 ] - [ -0.0004300200000000, 0.0002959100000000, -0.0001858300000000 ] - [ 0.0003738700000000, 0.0003449700000000, 0.0000489800000000 ] - [ 0.0007385300000000, 0.0000122900000000, 0.0001869000000000 ] - [ -0.0019591000000000, -0.0015188500000000, -0.0013505800000000 ] - [ -0.0000345700000000, 0.0001390000000000, 0.0000323300000000 ] - [ -0.0000056300000000, 0.0001872600000000, -0.0000112800000000 ] - [ -0.0213407100000000, -0.0097496000000000, -0.0043871200000000 ] - [ 0.0012021300000000, -0.0013383100000000, 0.0003831600000000 ] - [ 0.0012760900000000, -0.0013755400000000, 0.0004225300000000 ] - [ -0.0002587300000000, 0.0016540200000000, -0.0000477200000000 ] - [ 0.0024274100000000, -0.0002717600000000, 0.0007240900000000 ] - [ -0.0159297400000000, 0.0056425500000000, -0.0001069000000000 ] - [ -0.0021147800000000, -0.0020515600000000, 0.0002046300000000 ] - [ 0.0019429500000000, -0.0002406700000000, 0.0004820700000000 ] - [ 0.0000940300000000, 0.0001231800000000, -0.0000013100000000 ] - [ 0.0000966800000000, 0.0001365200000000, 0.0000440700000000 ] - [ 0.0025501200000000, -0.0002028100000000, 0.0007933800000000 ] - [ -0.0024203500000000, 0.0008643500000000, -0.0011708300000000 ] - [ -0.0011603400000000, 0.0019002500000000, 0.0001884500000000 ] - [ 0.0009104100000000, -0.0000739000000000, 0.0003226300000000 ] - [ 0.0031339300000000, -0.0004373300000000, 0.0006622300000000 ] - [ 0.0035644100000000, -0.0005110800000000, 0.0013239400000000 ] - [ 0.0000230100000000, 0.0004216300000000, 0.0000406700000000 ] - [ -0.0008283000000000, -0.0001789500000000, -0.0001055900000000 ] - [ -0.0004098000000000, -0.0010530700000000, 0.0001536700000000 ] - [ 0.0012265700000000, 0.0014901000000000, 0.0007638300000000 ] - [ -0.0001317600000000, 0.0003510200000000, -0.0000296500000000 ] - [ 0.0001228700000000, -0.0001000400000000, 0.0000482800000000 ] - [ 0.0007625800000000, 0.0000370700000000, 0.0000358500000000 ] - [ -0.0002386900000000, 0.0000231500000000, -0.0001707600000000 ] - [ -0.0167401600000000, 0.0006158500000000, -0.0175576500000000 ] - [ -0.0284055800000000, 0.0010655900000000, 0.0124508400000000 ] - [ -0.0002747800000000, 0.0000298200000000, 0.0000059700000000 ] - [ 0.0001244700000000, -0.0001261300000000, 0.0000279300000000 ] - [ 0.0000085300000000, -0.0002931900000000, 0.0000332500000000 ] - [ -0.0016347900000000, 0.0009397200000000, -0.0024245000000000 ] - [ -0.0002750600000000, 0.0020203400000000, -0.0023368500000000 ] - [ -0.0021783400000000, 0.0009516700000000, 0.0001329600000000 ] - [ -0.0001295400000000, -0.0002641200000000, -0.0001137900000000 ] - [ -0.0011855000000000, -0.0008804400000000, 0.0009537800000000 ] - [ -0.0007430200000000, -0.0014312900000000, -0.0021661700000000 ] - [ -0.0001597200000000, -0.0001519600000000, -0.0000769200000000 ] - [ -0.0010334200000000, 0.0006538400000000, 0.0002607900000000 ] - [ 0.0000589500000000, -0.0001036400000000, -0.0000246500000000 ] - [ -0.0052820600000000, -0.0040338500000000, -0.0003271300000000 ] - [ 0.0000706900000000, 0.0000209600000000, 0.0000476800000000 ] - [ 0.0002015200000000, 0.0004093400000000, 0.0000690500000000 ] - [ 0.0000062600000000, 0.0000152300000000, -0.0000238000000000 ] - [ -0.0026776400000000, -0.0022521200000000, -0.0010780800000000 ] - [ 0.0001327200000000, -0.0003726000000000, 0.0000150600000000 ] - [ -0.0000182900000000, -0.0003298600000000, 0.0000396600000000 ] - [ -0.0025713200000000, 0.0034636400000000, -0.0009970900000000 ] - [ 0.0003928800000000, 0.0001691100000000, 0.0000527200000000 ] - [ -0.0018262200000000, 0.0022804600000000, -0.0003617900000000 ] - [ 0.0062789100000000, -0.0034343100000000, 0.0019995900000000 ] - [ 0.0030482400000000, 0.0022781500000000, -0.0002344100000000 ] - [ 0.0001217000000000, -0.0001058900000000, -0.0000041800000000 ] - [ -0.0008894300000000, 0.0006403400000000, 0.0000831800000000 ] - [ 0.0715116700000000, 0.0079940500000000, 0.0054423700000000 ] - [ 0.0080848800000000, 0.0020892400000000, 0.0049006100000000 ] - [ 0.0003798200000000, -0.0003895600000000, 0.0002282000000000 ] - [ 0.0011061800000000, -0.0000398000000000, 0.0033455100000000 ] - [ -0.0002697500000000, -0.0000262300000000, -0.0000205000000000 ] - [ 0.0005003700000000, 0.0002937900000000, 0.0001757100000000 ] - [ 0.0005566400000000, 0.0003207000000000, 0.0000209600000000 ] - [ -0.0017821700000000, 0.0000660600000000, -0.0004168500000000 ] - [ -0.0022962500000000, 0.0004022000000000, -0.0008228100000000 ] - [ -0.0007351000000000, 0.0006281700000000, -0.0004398400000000 ] - [ -0.0013338900000000, -0.0000437700000000, -0.0003114000000000 ] - [ -0.0009604200000000, 0.0003502300000000, -0.0002151100000000 ] - [ -0.0001522100000000, -0.0001123000000000, -0.0001704000000000 ] - [ -0.0009605200000000, 0.0003586000000000, -0.0001549200000000 ] - [ -0.0008283300000000, -0.0007101600000000, -0.0003260100000000 ] - [ -0.0002536200000000, 0.0000100200000000, -0.0001367700000000 ] - [ -0.0016279000000000, -0.0003987400000000, -0.0003882000000000 ] - [ 0.0005923000000000, -0.0004630300000000, 0.0003113300000000 ] - [ -0.0001394200000000, -0.0001643700000000, 0.0000877200000000 ] - [ -0.0002694700000000, -0.0002525200000000, -0.0001150300000000 ] - [ -0.0017960500000000, -0.0004313400000000, -0.0004127000000000 ] - [ -0.0004252200000000, 0.0000906300000000, -0.0000781400000000 ] - [ 0.0030802700000000, -0.0013384600000000, 0.0015952500000000 ] - [ -0.0013550300000000, -0.0002525500000000, -0.0000308000000000 ] - [ -0.0009935200000000, -0.0002885100000000, -0.0006260100000000 ] - [ 0.0002618500000000, -0.0002524500000000, 0.0001439300000000 ] - [ 0.0001215800000000, -0.0001825100000000, -0.0001167000000000 ] - [ 0.0031406700000000, 0.0016717400000000, 0.0024647900000000 ] - [ 0.0007393300000000, -0.0005105600000000, 0.0000931500000000 ] - [ 0.0004070500000000, 0.0000970500000000, 0.0001154600000000 ] - [ 0.0060045900000000, -0.0042744000000000, 0.0002200600000000 ] - [ 0.0003695000000000, 0.0001740900000000, 0.0002130400000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001451500000000, -0.0010202800000000, -0.0001169000000000 ] - [ 0.0001180000000000, 0.0005833400000000, -0.0000020800000000 ] - [ -0.0000372900000000, -0.0002794600000000, -0.0000383000000000 ] - [ 0.0000192200000000, -0.0003332900000000, -0.0000004000000000 ] - [ 0.0009131900000000, -0.0018409200000000, 0.0003047600000000 ] - [ -0.0015246500000000, -0.0011156900000000, -0.0004242600000000 ] - [ -0.0008768800000000, 0.0022424800000000, -0.0003302300000000 ] - [ -0.0022080600000000, 0.0073564500000000, -0.0005103400000000 ] - [ -0.0002566600000000, 0.0004529700000000, -0.0002034300000000 ] - [ -0.0022983200000000, -0.0029154000000000, -0.0009441100000000 ] - [ -0.0001315200000000, -0.0012863300000000, -0.0000284700000000 ] - [ -0.0000260800000000, -0.0009969000000000, -0.0000993300000000 ] - [ -0.0006828400000000, -0.0013791700000000, -0.0002053500000000 ] - [ 0.0017516200000000, -0.0013795900000000, 0.0017157300000000 ] - [ -0.0000498900000000, -0.0017369200000000, 0.0000535800000000 ] - [ 0.0000945200000000, -0.0016465000000000, 0.0000005600000000 ] - [ 0.0148010300000000, 0.0201063800000000, 0.0037130700000000 ] - [ -0.0000134600000000, 0.0004630400000000, 0.0003284200000000 ] - [ 0.0001968300000000, 0.0004597100000000, -0.0001368800000000 ] - [ -0.0000345400000000, -0.0036561900000000, -0.0000411600000000 ] - [ -0.0019260700000000, 0.0025734200000000, -0.0004647200000000 ] - [ -0.0089024500000000, 0.0175201500000000, 0.0009530900000000 ] - [ 0.0023442200000000, -0.0012658700000000, -0.0007666400000000 ] - [ 0.0007935900000000, 0.0016626600000000, 0.0001667900000000 ] - [ 0.0000468300000000, -0.0015458700000000, -0.0000315200000000 ] - [ -0.0001175300000000, -0.0013820700000000, -0.0000246500000000 ] - [ 0.0018151800000000, 0.0017389900000000, 0.0004560900000000 ] - [ 0.0019267700000000, 0.0031163700000000, 0.0011876300000000 ] - [ -0.0019439500000000, -0.0025199800000000, -0.0003541600000000 ] - [ 0.0011472000000000, -0.0012829500000000, 0.0003345000000000 ] - [ 0.0000095300000000, 0.0017370300000000, -0.0000017200000000 ] - [ -0.0003957900000000, 0.0017833600000000, 0.0000793800000000 ] - [ -0.0001579700000000, -0.0014409700000000, 0.0000203600000000 ] - [ -0.0002709500000000, -0.0023066700000000, 0.0000450600000000 ] - [ 0.0000037700000000, -0.0030155500000000, 0.0001427100000000 ] - [ -0.0002653000000000, 0.0002134400000000, 0.0001456500000000 ] - [ -0.0000749600000000, -0.0018652600000000, -0.0000702800000000 ] - [ 0.0000213000000000, -0.0012057000000000, -0.0000979800000000 ] - [ 0.0008480000000000, -0.0012086400000000, 0.0001282500000000 ] - [ 0.0001205400000000, -0.0015468600000000, 0.0000582200000000 ] - [ -0.0003948500000000, 0.0114946300000000, -0.0003165300000000 ] - [ 0.0012723100000000, 0.0105029800000000, -0.0002818700000000 ] - [ 0.0001627900000000, -0.0015067600000000, 0.0000273000000000 ] - [ 0.0000180000000000, -0.0012058400000000, 0.0001290800000000 ] - [ 0.0000744800000000, 0.0009617300000000, 0.0000566600000000 ] - [ -0.0005808500000000, -0.0040317900000000, -0.0004295300000000 ] - [ -0.0006057100000000, 0.0031661000000000, -0.0031771500000000 ] - [ -0.0006910700000000, -0.0031107200000000, -0.0001256200000000 ] - [ 0.0000760900000000, 0.0008788600000000, 0.0000441600000000 ] - [ 0.0021080300000000, 0.0017416200000000, -0.0015784800000000 ] - [ 0.0009399400000000, 0.0022824100000000, 0.0030651800000000 ] - [ -0.0001983700000000, 0.0008822200000000, -0.0000527100000000 ] - [ -0.0020505000000000, 0.0012787200000000, 0.0003246700000000 ] - [ -0.0000969300000000, 0.0010956900000000, -0.0000699200000000 ] - [ -0.0001961400000000, -0.0013855700000000, -0.0002747400000000 ] - [ 0.0000746800000000, 0.0009375900000000, 0.0000492800000000 ] - [ -0.0002660200000000, 0.0006146400000000, -0.0000386900000000 ] - [ -0.0001201700000000, 0.0009820500000000, -0.0000528500000000 ] - [ 0.0021310500000000, -0.0006897100000000, 0.0002390700000000 ] - [ 0.0003489300000000, 0.0006798300000000, 0.0001127700000000 ] - [ 0.0001781800000000, 0.0006763000000000, 0.0001286200000000 ] - [ -0.0030623100000000, -0.0001414100000000, -0.0008987400000000 ] - [ -0.0005706700000000, 0.0010667200000000, -0.0001931600000000 ] - [ 0.0003240600000000, -0.0015938400000000, 0.0001216200000000 ] - [ -0.0036604200000000, 0.0036926800000000, -0.0011763100000000 ] - [ -0.0020311400000000, -0.0006733000000000, 0.0052039300000000 ] - [ -0.0005499100000000, 0.0020447500000000, -0.0002258400000000 ] - [ 0.0008039900000000, 0.0002948200000000, 0.0001158300000000 ] - [ -0.0071260100000000, -0.0714789700000000, -0.0007038600000000 ] - [ -0.0014732900000000, -0.0045543600000000, -0.0007628200000000 ] - [ -0.0003886500000000, 0.0016723800000000, 0.0000549300000000 ] - [ 0.0012633800000000, 0.0001854400000000, -0.0055769500000000 ] - [ 0.0007661600000000, 0.0018172700000000, 0.0002702000000000 ] - [ -0.0001933400000000, 0.0009772000000000, -0.0003988700000000 ] - [ -0.0003598400000000, 0.0009063500000000, 0.0001503100000000 ] - [ 0.0005081600000000, -0.0023219700000000, 0.0002536600000000 ] - [ 0.0003959000000000, -0.0025545600000000, -0.0001721200000000 ] - [ 0.0007073600000000, 0.0002848500000000, 0.0004136500000000 ] - [ 0.0000702100000000, -0.0000304900000000, 0.0000892200000000 ] - [ 0.0002748200000000, -0.0009002100000000, 0.0004057700000000 ] - [ 0.0001139100000000, 0.0012954700000000, -0.0001339400000000 ] - [ 0.0004571800000000, -0.0009133800000000, -0.0001445300000000 ] - [ -0.0007099500000000, 0.0006011900000000, -0.0003298500000000 ] - [ -0.0002946600000000, 0.0010224300000000, -0.0003856100000000 ] - [ -0.0003049900000000, -0.0009227100000000, -0.0000565500000000 ] - [ -0.0007486400000000, 0.0019444200000000, 0.0003997300000000 ] - [ 0.0001623800000000, 0.0011600800000000, 0.0000950700000000 ] - [ 0.0001216800000000, 0.0013072500000000, 0.0000373200000000 ] - [ -0.0004392500000000, -0.0009075100000000, 0.0000170000000000 ] - [ -0.0006850500000000, 0.0011641600000000, 0.0001169900000000 ] - [ 0.0019946500000000, 0.0047557100000000, 0.0067475100000000 ] - [ -0.0000709900000000, -0.0002894600000000, -0.0000658900000000 ] - [ -0.0000206200000000, -0.0001902900000000, -0.0001033800000000 ] - [ -0.0000944600000000, 0.0015249800000000, -0.0000332200000000 ] - [ -0.0001808200000000, 0.0013099300000000, -0.0000879800000000 ] - [ 0.0020677200000000, 0.0022547000000000, 0.0012049200000000 ] - [ 0.0002780900000000, 0.0012827500000000, 0.0000519800000000 ] - [ 0.0007826000000000, 0.0013927900000000, -0.0001253000000000 ] - [ 0.0043059800000000, 0.0040871100000000, -0.0074436300000000 ] - [ 0.0004615800000000, 0.0013453200000000, 0.0005493300000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001453900000000, 0.0009893700000000, 0.0001007900000000 ] - [ -0.0001231900000000, -0.0005511400000000, 0.0000185200000000 ] - [ 0.0000404700000000, 0.0002443600000000, 0.0000204600000000 ] - [ -0.0000223400000000, 0.0003720300000000, 0.0000174300000000 ] - [ -0.0005118300000000, 0.0014316700000000, -0.0001464700000000 ] - [ 0.0011264200000000, 0.0007042700000000, 0.0002771300000000 ] - [ 0.0004820900000000, -0.0018380900000000, 0.0001723600000000 ] - [ 0.0026097800000000, -0.0070128800000000, 0.0006614400000000 ] - [ 0.0006698100000000, -0.0008565100000000, 0.0003594900000000 ] - [ 0.0018877300000000, 0.0025030000000000, 0.0008019700000000 ] - [ -0.0002737500000000, 0.0017009900000000, -0.0001305700000000 ] - [ 0.0004321100000000, 0.0014119800000000, 0.0002487100000000 ] - [ 0.0008382200000000, 0.0012571900000000, 0.0002199200000000 ] - [ -0.0016628300000000, 0.0013729500000000, -0.0018253000000000 ] - [ 0.0000726700000000, 0.0017564800000000, 0.0000457400000000 ] - [ 0.0000075800000000, 0.0017049400000000, -0.0000227900000000 ] - [ -0.0158230900000000, -0.0211827200000000, -0.0040354700000000 ] - [ -0.0000799700000000, -0.0004750000000000, -0.0002331300000000 ] - [ -0.0002196000000000, -0.0004727800000000, 0.0003473500000000 ] - [ -0.0001149400000000, 0.0035526500000000, 0.0000277400000000 ] - [ 0.0021059700000000, -0.0024575700000000, 0.0004870700000000 ] - [ 0.0083040100000000, -0.0165565000000000, -0.0011894700000000 ] - [ -0.0023321100000000, 0.0012586300000000, 0.0005657300000000 ] - [ -0.0008021900000000, -0.0016756400000000, -0.0002634500000000 ] - [ -0.0000685200000000, 0.0015651300000000, -0.0000672400000000 ] - [ 0.0000169900000000, 0.0014387600000000, 0.0000471200000000 ] - [ -0.0018922600000000, -0.0017892900000000, -0.0004266400000000 ] - [ -0.0019176000000000, -0.0031059000000000, -0.0010919600000000 ] - [ 0.0020830200000000, 0.0024049000000000, 0.0003644100000000 ] - [ -0.0010365300000000, 0.0012812800000000, -0.0004269500000000 ] - [ 0.0000456600000000, -0.0017240700000000, 0.0001037600000000 ] - [ 0.0005220400000000, -0.0017328000000000, -0.0000862200000000 ] - [ 0.0000087000000000, 0.0015681000000000, -0.0000335700000000 ] - [ 0.0001636800000000, 0.0023045200000000, 0.0000495000000000 ] - [ -0.0000397000000000, 0.0030087500000000, 0.0000618900000000 ] - [ 0.0001261300000000, -0.0003230700000000, -0.0001500900000000 ] - [ 0.0002227500000000, 0.0019916600000000, 0.0000829100000000 ] - [ 0.0000818500000000, 0.0011497600000000, 0.0000771500000000 ] - [ -0.0008113700000000, 0.0012091100000000, -0.0003328000000000 ] - [ -0.0001469300000000, 0.0015316900000000, -0.0001582500000000 ] - [ 0.0002774600000000, -0.0114794300000000, 0.0000790500000000 ] - [ -0.0014886800000000, -0.0104508600000000, 0.0003501900000000 ] - [ -0.0002689200000000, 0.0014524200000000, -0.0000064400000000 ] - [ 0.0000054600000000, 0.0011887700000000, -0.0000315800000000 ] - [ 0.0000297600000000, -0.0011636900000000, 0.0000271600000000 ] - [ 0.0006853300000000, 0.0042314100000000, 0.0005002400000000 ] - [ 0.0007155600000000, -0.0029596800000000, 0.0031949600000000 ] - [ 0.0005779700000000, 0.0033086500000000, 0.0000454000000000 ] - [ -0.0001814300000000, -0.0010807900000000, -0.0001291200000000 ] - [ -0.0019993100000000, -0.0017596200000000, 0.0014927600000000 ] - [ -0.0010549800000000, -0.0023046100000000, -0.0029865400000000 ] - [ 0.0000854200000000, -0.0010731300000000, 0.0000178200000000 ] - [ 0.0019277200000000, -0.0010821400000000, -0.0003563800000000 ] - [ 0.0002088800000000, -0.0012861600000000, 0.0001045500000000 ] - [ 0.0002493900000000, 0.0011397900000000, 0.0003464600000000 ] - [ 0.0000292900000000, -0.0007397100000000, 0.0000355100000000 ] - [ 0.0003781800000000, -0.0004213500000000, 0.0000732200000000 ] - [ 0.0000177600000000, -0.0007837100000000, -0.0000312500000000 ] - [ -0.0022218300000000, 0.0004800300000000, -0.0003231800000000 ] - [ -0.0002361000000000, -0.0006785400000000, -0.0001960900000000 ] - [ -0.0002902900000000, -0.0006731200000000, -0.0000461000000000 ] - [ 0.0029781600000000, -0.0000410000000000, 0.0008753600000000 ] - [ 0.0004616300000000, -0.0008761200000000, 0.0001584800000000 ] - [ -0.0002325200000000, 0.0014316800000000, -0.0000987800000000 ] - [ 0.0036495200000000, -0.0037174800000000, 0.0011166600000000 ] - [ 0.0018337500000000, 0.0007224500000000, -0.0054826400000000 ] - [ 0.0002928700000000, -0.0017381500000000, 0.0000609700000000 ] - [ -0.0005556400000000, -0.0002700400000000, -0.0000230400000000 ] - [ 0.0089311400000000, 0.0715728000000000, 0.0015732800000000 ] - [ 0.0012869500000000, 0.0042729600000000, 0.0006165700000000 ] - [ 0.0004408000000000, -0.0016256000000000, 0.0002013200000000 ] - [ -0.0015384900000000, -0.0002109700000000, 0.0055368100000000 ] - [ -0.0005096900000000, -0.0015094000000000, -0.0001067200000000 ] - [ -0.0000583800000000, -0.0009558300000000, 0.0003074000000000 ] - [ 0.0001596200000000, -0.0009497400000000, -0.0003833200000000 ] - [ -0.0002679400000000, 0.0020206500000000, -0.0000912800000000 ] - [ -0.0004632100000000, 0.0025086400000000, -0.0000919400000000 ] - [ -0.0005089700000000, -0.0003243600000000, -0.0001852900000000 ] - [ -0.0000715500000000, 0.0000287900000000, -0.0000330900000000 ] - [ -0.0000307800000000, 0.0008844700000000, -0.0003104800000000 ] - [ -0.0001633400000000, -0.0012448600000000, -0.0001223200000000 ] - [ -0.0002605000000000, 0.0009614800000000, 0.0003717200000000 ] - [ 0.0006935700000000, -0.0006072400000000, 0.0002684200000000 ] - [ 0.0000886700000000, -0.0009786600000000, 0.0001555200000000 ] - [ 0.0000358300000000, 0.0012215500000000, -0.0001105000000000 ] - [ 0.0010048300000000, -0.0019155400000000, -0.0003052700000000 ] - [ -0.0001150100000000, -0.0012127800000000, 0.0001605500000000 ] - [ -0.0003804900000000, -0.0016153400000000, -0.0002017500000000 ] - [ 0.0004756400000000, 0.0009551300000000, 0.0002351000000000 ] - [ 0.0004288900000000, -0.0011847200000000, -0.0002125000000000 ] - [ -0.0017477600000000, -0.0043900700000000, -0.0064761400000000 ] - [ -0.0001915300000000, 0.0003079900000000, -0.0000308700000000 ] - [ -0.0001902600000000, 0.0001440200000000, -0.0001308600000000 ] - [ 0.0003525000000000, -0.0018321000000000, 0.0001989300000000 ] - [ 0.0001330500000000, -0.0013629100000000, -0.0001678000000000 ] - [ -0.0018576300000000, -0.0023029000000000, -0.0009768000000000 ] - [ -0.0002638700000000, -0.0012863500000000, 0.0000087200000000 ] - [ -0.0005275100000000, -0.0014136000000000, 0.0002226400000000 ] - [ -0.0043267800000000, -0.0039902900000000, 0.0070935100000000 ] - [ -0.0002557400000000, -0.0013012800000000, -0.0003194600000000 ]- atom: 69 displacement: [ -0.0028145825136884, 0.0000000000000000, 0.0095957347438140 ] forces: - [ -0.0000420300000000, -0.0000455800000000, 0.0001673900000000 ] - [ -0.0000517200000000, 0.0000443100000000, 0.0002381500000000 ] - [ -0.0000280400000000, -0.0000568200000000, -0.0000252400000000 ] - [ -0.0000118800000000, 0.0000708000000000, 0.0000226500000000 ] - [ 0.0002922900000000, -0.0001093900000000, -0.0001326900000000 ] - [ -0.0001781300000000, -0.0001238900000000, -0.0002435700000000 ] - [ -0.0002661800000000, 0.0001325700000000, -0.0001538400000000 ] - [ 0.0024691200000000, 0.0006271200000000, -0.0057824600000000 ] - [ 0.0007280300000000, -0.0001859700000000, 0.0000446800000000 ] - [ -0.0013921700000000, -0.0040214300000000, 0.0004420000000000 ] - [ -0.0002606800000000, 0.0002338000000000, -0.0000727200000000 ] - [ 0.0002496800000000, 0.0002364700000000, 0.0000781100000000 ] - [ 0.0000436300000000, -0.0000039800000000, -0.0000135800000000 ] - [ -0.0008367900000000, 0.0014898900000000, 0.0002587700000000 ] - [ -0.0000014700000000, 0.0000452900000000, 0.0000491500000000 ] - [ 0.0000416400000000, 0.0000782300000000, -0.0000192100000000 ] - [ -0.0010347100000000, 0.0006479400000000, 0.0067685700000000 ] - [ 0.0000208000000000, 0.0000243700000000, 0.0001161400000000 ] - [ -0.0003492300000000, 0.0003339400000000, -0.0000197600000000 ] - [ -0.0000494700000000, -0.0000406400000000, 0.0000235200000000 ] - [ -0.0001447000000000, -0.0000043100000000, 0.0000057900000000 ] - [ -0.0026128100000000, 0.0004427800000000, 0.0080073300000000 ] - [ 0.0007440800000000, -0.0010488700000000, 0.0003759300000000 ] - [ -0.0000240600000000, -0.0001483700000000, -0.0003535400000000 ] - [ 0.0000121700000000, 0.0000603400000000, -0.0000602300000000 ] - [ -0.0000390400000000, 0.0000862000000000, 0.0000346700000000 ] - [ -0.0001651500000000, -0.0002107000000000, 0.0003250000000000 ] - [ 0.0007819100000000, -0.0006310400000000, -0.0031558100000000 ] - [ 0.0008095000000000, 0.0022042400000000, 0.0004916700000000 ] - [ 0.0001056900000000, 0.0001122700000000, 0.0000135600000000 ] - [ -0.0017689400000000, -0.0007795000000000, -0.0006733900000000 ] - [ 0.0014775900000000, -0.0001742200000000, 0.0004085300000000 ] - [ -0.0000440100000000, 0.0001372800000000, -0.0000028300000000 ] - [ -0.0000096400000000, -0.0001318300000000, -0.0000649800000000 ] - [ -0.0000789800000000, -0.0000544100000000, 0.0001372000000000 ] - [ -0.0001473600000000, -0.0000613600000000, 0.0000632300000000 ] - [ 0.0000432800000000, 0.0002436200000000, -0.0000108100000000 ] - [ 0.0000463600000000, 0.0000693600000000, -0.0000148200000000 ] - [ 0.0000604300000000, 0.0001075700000000, -0.0001121300000000 ] - [ -0.0000163200000000, 0.0001231900000000, -0.0000503600000000 ] - [ 0.0093038500000000, -0.0018322800000000, 0.0273468800000000 ] - [ -0.0177886300000000, 0.0014557300000000, 0.0160330000000000 ] - [ -0.0000416300000000, 0.0000247900000000, 0.0000315500000000 ] - [ -0.0000022600000000, 0.0000663800000000, 0.0000596800000000 ] - [ 0.0000525700000000, -0.0001262800000000, 0.0000378000000000 ] - [ 0.0018225700000000, -0.0005653800000000, 0.0011890200000000 ] - [ -0.0000742400000000, 0.0006725600000000, -0.0004920100000000 ] - [ -0.0007151600000000, 0.0007328200000000, -0.0001384000000000 ] - [ -0.0000499600000000, -0.0001414700000000, -0.0000433500000000 ] - [ 0.0004826900000000, 0.0004214000000000, -0.0003249100000000 ] - [ -0.0002675600000000, -0.0003850300000000, -0.0003434700000000 ] - [ -0.0000733300000000, -0.0001209900000000, -0.0000352000000000 ] - [ 0.0000917400000000, -0.0001023800000000, -0.0000079700000000 ] - [ 0.0000457500000000, -0.0001015200000000, 0.0000351500000000 ] - [ -0.0030817700000000, -0.0010762700000000, 0.0040119600000000 ] - [ 0.0000509900000000, 0.0000480900000000, 0.0000351500000000 ] - [ 0.0000483600000000, 0.0000453200000000, 0.0000409600000000 ] - [ -0.0000478800000000, 0.0000471700000000, -0.0000462300000000 ] - [ 0.0002601700000000, -0.0002094500000000, -0.0024874900000000 ] - [ 0.0000752500000000, -0.0001051500000000, -0.0002799800000000 ] - [ -0.0001126800000000, -0.0000517100000000, 0.0001952500000000 ] - [ 0.0003367900000000, -0.0001030200000000, -0.0017731600000000 ] - [ 0.0000163300000000, 0.0000311500000000, -0.0002803300000000 ] - [ -0.0000075000000000, -0.0005199400000000, 0.0020766400000000 ] - [ -0.0003186400000000, 0.0000356800000000, 0.0001999300000000 ] - [ 0.0007494000000000, 0.0040841600000000, 0.0053845000000000 ] - [ -0.0001285100000000, 0.0000726200000000, -0.0000436900000000 ] - [ 0.0000543400000000, 0.0000126700000000, 0.0000571100000000 ] - [ 0.0147566500000000, 0.0010059200000000, -0.0741728400000000 ] - [ -0.0012965400000000, 0.0003216400000000, 0.0055824100000000 ] - [ 0.0000282000000000, -0.0000196300000000, 0.0000999000000000 ] - [ -0.0037380700000000, -0.0045531100000000, 0.0041909800000000 ] - [ 0.0001113700000000, 0.0000820500000000, 0.0001083600000000 ] - [ -0.0002734200000000, -0.0002552100000000, -0.0000149400000000 ] - [ -0.0000802400000000, 0.0000321000000000, -0.0000693100000000 ] - [ 0.0005535400000000, -0.0000261400000000, -0.0002189000000000 ] - [ 0.0000037600000000, 0.0001324000000000, 0.0007671300000000 ] - [ 0.0002856100000000, -0.0002279300000000, 0.0002236200000000 ] - [ 0.0001681000000000, -0.0000141200000000, -0.0000174300000000 ] - [ 0.0003132900000000, -0.0001799200000000, 0.0000326300000000 ] - [ -0.0000206700000000, -0.0000186300000000, -0.0001499400000000 ] - [ 0.0001114600000000, 0.0001812500000000, 0.0000850400000000 ] - [ 0.0000402800000000, -0.0000168700000000, -0.0000455800000000 ] - [ -0.0001162200000000, -0.0000107800000000, -0.0001365300000000 ] - [ -0.0003462400000000, 0.0008118100000000, -0.0000128000000000 ] - [ -0.0008500700000000, 0.0010772400000000, 0.0013672800000000 ] - [ 0.0000207500000000, -0.0000940000000000, 0.0001275700000000 ] - [ -0.0001703600000000, -0.0002463700000000, -0.0000902100000000 ] - [ 0.0000374600000000, 0.0000025200000000, 0.0001644400000000 ] - [ -0.0001634100000000, -0.0000336800000000, -0.0000331800000000 ] - [ 0.0001687100000000, 0.0084721700000000, 0.0018937800000000 ] - [ -0.0003674200000000, -0.0000186900000000, 0.0000025700000000 ] - [ -0.0002567700000000, -0.0000519800000000, -0.0001847000000000 ] - [ 0.0001424800000000, -0.0002186500000000, 0.0000830100000000 ] - [ 0.0000024800000000, -0.0001064900000000, -0.0001158300000000 ] - [ -0.0000370500000000, 0.0002702000000000, -0.0005460000000000 ] - [ 0.0002638000000000, -0.0002262300000000, 0.0001916600000000 ] - [ 0.0001838100000000, 0.0000133900000000, 0.0000665300000000 ] - [ 0.0013333800000000, -0.0081222400000000, 0.0031689000000000 ] - [ 0.0001376300000000, 0.0000090300000000, 0.0001039400000000 ]- atom: 69 displacement: [ 0.0028145825136884, 0.0000000000000000, -0.0095957347438140 ] forces: - [ 0.0000455600000000, -0.0000044600000000, -0.0001861700000000 ] - [ 0.0000496300000000, 0.0000030700000000, -0.0002208300000000 ] - [ 0.0000317500000000, 0.0000230200000000, 0.0000091500000000 ] - [ 0.0000091000000000, -0.0000439100000000, -0.0000049600000000 ] - [ 0.0000989100000000, -0.0002907600000000, 0.0002869400000000 ] - [ -0.0002197000000000, -0.0002747900000000, 0.0000974900000000 ] - [ -0.0001389700000000, 0.0002773400000000, -0.0000022700000000 ] - [ -0.0020509000000000, -0.0001987600000000, 0.0059352700000000 ] - [ -0.0003382000000000, -0.0002225000000000, 0.0001135300000000 ] - [ 0.0009978700000000, 0.0036154200000000, -0.0005685800000000 ] - [ -0.0001086200000000, 0.0001539500000000, -0.0000745300000000 ] - [ 0.0001214800000000, 0.0001507100000000, 0.0000621000000000 ] - [ 0.0000985800000000, -0.0001143400000000, 0.0000259900000000 ] - [ 0.0009430000000000, -0.0014770600000000, -0.0003370400000000 ] - [ 0.0000173600000000, -0.0000349900000000, 0.0000561300000000 ] - [ 0.0000613300000000, -0.0000208100000000, -0.0000114900000000 ] - [ 0.0010123700000000, -0.0004722400000000, -0.0067399700000000 ] - [ -0.0001334300000000, -0.0000135400000000, -0.0000168900000000 ] - [ 0.0003094300000000, -0.0003228200000000, 0.0002174300000000 ] - [ -0.0000962100000000, -0.0000955100000000, -0.0000350900000000 ] - [ 0.0002719300000000, 0.0001292800000000, 0.0000018200000000 ] - [ 0.0027941500000000, -0.0005325100000000, -0.0080423900000000 ] - [ -0.0006986000000000, 0.0010644500000000, -0.0005937600000000 ] - [ 0.0000012800000000, 0.0001314500000000, 0.0002479100000000 ] - [ -0.0000276100000000, -0.0000494600000000, -0.0000455300000000 ] - [ -0.0000650000000000, -0.0000295900000000, -0.0000018600000000 ] - [ 0.0000478700000000, 0.0001489000000000, -0.0002983700000000 ] - [ -0.0007511300000000, 0.0005924100000000, 0.0032637800000000 ] - [ -0.0006489800000000, -0.0023342700000000, -0.0004806900000000 ] - [ -0.0000078200000000, -0.0001111600000000, -0.0001144900000000 ] - [ 0.0017484300000000, 0.0007905800000000, 0.0007712500000000 ] - [ -0.0014033600000000, 0.0002312500000000, -0.0004513200000000 ] - [ -0.0001091600000000, -0.0000219100000000, -0.0000128500000000 ] - [ -0.0000882500000000, 0.0001346200000000, 0.0001638600000000 ] - [ 0.0000490500000000, 0.0000652000000000, 0.0000656600000000 ] - [ -0.0000122700000000, -0.0000675800000000, -0.0000849700000000 ] - [ 0.0001105800000000, -0.0001276000000000, 0.0000269300000000 ] - [ 0.0000542300000000, -0.0001267500000000, -0.0000177200000000 ] - [ -0.0000335700000000, -0.0001075700000000, -0.0000907300000000 ] - [ 0.0000029000000000, -0.0001343500000000, -0.0000552300000000 ] - [ -0.0086378900000000, 0.0018910100000000, -0.0259723200000000 ] - [ 0.0188962500000000, -0.0012492500000000, -0.0169286000000000 ] - [ -0.0000582800000000, -0.0000820300000000, 0.0000029000000000 ] - [ 0.0000145000000000, -0.0000771600000000, 0.0000454800000000 ] - [ 0.0000501400000000, -0.0000716000000000, 0.0000465800000000 ] - [ -0.0017370600000000, 0.0007646400000000, -0.0011020300000000 ] - [ 0.0001862000000000, -0.0005008400000000, 0.0005510000000000 ] - [ 0.0006123300000000, -0.0005330400000000, 0.0000496900000000 ] - [ -0.0000523400000000, -0.0000569000000000, -0.0000400200000000 ] - [ -0.0003599000000000, -0.0004161600000000, 0.0002367400000000 ] - [ 0.0001641300000000, 0.0003948700000000, 0.0004431000000000 ] - [ -0.0000374300000000, -0.0000669300000000, 0.0000021000000000 ] - [ -0.0001905800000000, 0.0002848000000000, -0.0000299000000000 ] - [ 0.0000654300000000, -0.0000871900000000, -0.0000003800000000 ] - [ 0.0032182600000000, 0.0009098800000000, -0.0039221900000000 ] - [ 0.0000511800000000, 0.0001550000000000, 0.0000506200000000 ] - [ 0.0000622600000000, 0.0001417100000000, -0.0000067000000000 ] - [ -0.0000549900000000, 0.0001559500000000, -0.0000392400000000 ] - [ -0.0003583700000000, 0.0000320800000000, 0.0024131100000000 ] - [ 0.0000361900000000, 0.0001211100000000, 0.0001950500000000 ] - [ 0.0000015200000000, 0.0000676200000000, -0.0001098800000000 ] - [ -0.0004497900000000, -0.0001046900000000, 0.0017373700000000 ] - [ -0.0001298200000000, 0.0001554800000000, 0.0002460000000000 ] - [ 0.0001328300000000, 0.0003090100000000, -0.0020372800000000 ] - [ 0.0002586700000000, -0.0000074100000000, -0.0002744700000000 ] - [ -0.0009434200000000, -0.0041137300000000, -0.0056419700000000 ] - [ -0.0001225200000000, 0.0002276900000000, -0.0001187800000000 ] - [ 0.0002085400000000, 0.0000018700000000, 0.0000359700000000 ] - [ -0.0167879000000000, -0.0013334700000000, 0.0737610100000000 ] - [ 0.0010337000000000, -0.0006252300000000, -0.0057146500000000 ] - [ 0.0000186000000000, 0.0000737800000000, 0.0001545700000000 ] - [ 0.0034808600000000, 0.0044613700000000, -0.0042557800000000 ] - [ 0.0001441000000000, 0.0002235700000000, 0.0000543900000000 ] - [ 0.0000147800000000, 0.0002708700000000, -0.0000800500000000 ] - [ -0.0001273500000000, -0.0000798100000000, -0.0001597600000000 ] - [ -0.0002874700000000, -0.0002782800000000, 0.0003829200000000 ] - [ -0.0000377500000000, -0.0001872900000000, -0.0010138600000000 ] - [ -0.0000745000000000, 0.0001773700000000, 0.0000122900000000 ] - [ -0.0001496100000000, 0.0000123000000000, 0.0000791500000000 ] - [ -0.0000556400000000, 0.0001544400000000, 0.0000663100000000 ] - [ -0.0000280600000000, 0.0000708000000000, -0.0001051100000000 ] - [ 0.0000966100000000, -0.0001405800000000, 0.0001413900000000 ] - [ -0.0000415600000000, 0.0000234300000000, -0.0000107000000000 ] - [ -0.0000840900000000, 0.0000571200000000, -0.0000931100000000 ] - [ 0.0001058400000000, -0.0005078200000000, -0.0001466600000000 ] - [ 0.0010943200000000, -0.0010479900000000, -0.0012720000000000 ] - [ 0.0000318700000000, 0.0000460500000000, 0.0001289300000000 ] - [ -0.0000772200000000, -0.0000546200000000, -0.0000699500000000 ] - [ 0.0000235000000000, 0.0000520000000000, 0.0000934200000000 ] - [ -0.0000848800000000, 0.0000135900000000, -0.0000599700000000 ] - [ 0.0000911200000000, -0.0081049800000000, -0.0017204300000000 ] - [ 0.0001281700000000, 0.0000430800000000, -0.0001013500000000 ] - [ 0.0000627000000000, 0.0000109800000000, -0.0000362400000000 ] - [ 0.0001020100000000, -0.0000761700000000, 0.0000781600000000 ] - [ -0.0000550200000000, 0.0000583800000000, -0.0001395300000000 ] - [ 0.0002115100000000, -0.0003296100000000, 0.0007502400000000 ] - [ -0.0002614600000000, 0.0002306600000000, -0.0001324500000000 ] - [ 0.0000622600000000, -0.0000347300000000, 0.0000295400000000 ] - [ -0.0013807800000000, 0.0082579000000000, -0.0034327700000000 ] - [ 0.0000602900000000, 0.0000347300000000, 0.0001226300000000 ]