# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9cc0593c-d366-4b83-ab36-b554f65096d3/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 K8Al2O7 / P2_1/c (14) / materials id 778430](https://mdr.nims.go.jp/datasets/607e3c52-b002-4888-9f61-90954b1e856c) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.506457010000000, 0.000000000000000, 0.068037060000000 ] # a - [ 0.000000000000000, 12.208904510000000, 0.000000000000000 ] # b - [ -3.378198140000000, 0.000000000000000, 10.518818000000000 ] # c points: - symbol: K # 1 coordinates: [ 0.887735940000000, 0.470888900000000, 0.081113280000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.914158920000000, 0.459922870000000, 0.359551200000000 ] mass: 39.098300 - symbol: K # 3 coordinates: [ 0.904190540000000, 0.738738760000000, 0.471302400000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.887735940000000, 0.029111100000000, 0.581113280000000 ] mass: 39.098300 - symbol: K # 5 coordinates: [ 0.757369680000000, 0.936319970000000, 0.296602210000000 ] mass: 39.098300 - symbol: K # 6 coordinates: [ 0.914158920000000, 0.040077130000000, 0.859551200000000 ] mass: 39.098300 - symbol: K # 7 coordinates: [ 0.704123730000000, 0.246328300000000, 0.432293410000000 ] mass: 39.098300 - symbol: K # 8 coordinates: [ 0.904190540000000, 0.761261240000000, 0.971302400000000 ] mass: 39.098300 - symbol: K # 9 coordinates: [ 0.572840680000000, 0.464843260000000, 0.141743520000000 ] mass: 39.098300 - symbol: K # 10 coordinates: [ 0.666819890000000, 0.515972860000000, 0.493028410000000 ] mass: 39.098300 - symbol: K # 11 coordinates: [ 0.757369680000000, 0.563680030000000, 0.796602210000000 ] mass: 39.098300 - symbol: K # 12 coordinates: [ 0.495251930000000, 0.230109700000000, 0.131501380000000 ] mass: 39.098300 - symbol: K # 13 coordinates: [ 0.704123730000000, 0.253671700000000, 0.932293410000000 ] mass: 39.098300 - symbol: K # 14 coordinates: [ 0.504748070000000, 0.730109700000000, 0.368498620000000 ] mass: 39.098300 - symbol: K # 15 coordinates: [ 0.572840680000000, 0.035156740000000, 0.641743520000000 ] mass: 39.098300 - symbol: K # 16 coordinates: [ 0.333180110000000, 0.015972860000000, 0.006971590000000 ] mass: 39.098300 - symbol: K # 17 coordinates: [ 0.666819890000000, 0.984027140000000, 0.993028410000000 ] mass: 39.098300 - symbol: K # 18 coordinates: [ 0.427159320000000, 0.964843260000000, 0.358256480000000 ] mass: 39.098300 - symbol: K # 19 coordinates: [ 0.495251930000000, 0.269890300000000, 0.631501380000000 ] mass: 39.098300 - symbol: K # 20 coordinates: [ 0.295876270000000, 0.746328300000000, 0.067706590000000 ] mass: 39.098300 - symbol: K # 21 coordinates: [ 0.504748070000000, 0.769890300000000, 0.868498620000000 ] mass: 39.098300 - symbol: K # 22 coordinates: [ 0.242630320000000, 0.436319970000000, 0.203397790000000 ] mass: 39.098300 - symbol: K # 23 coordinates: [ 0.333180110000000, 0.484027140000000, 0.506971590000000 ] mass: 39.098300 - symbol: K # 24 coordinates: [ 0.427159320000000, 0.535156740000000, 0.858256480000000 ] mass: 39.098300 - symbol: K # 25 coordinates: [ 0.095809460000000, 0.238738760000000, 0.028697600000000 ] mass: 39.098300 - symbol: K # 26 coordinates: [ 0.295876270000000, 0.753671700000000, 0.567706590000000 ] mass: 39.098300 - symbol: K # 27 coordinates: [ 0.085841080000000, 0.959922870000000, 0.140448800000000 ] mass: 39.098300 - symbol: K # 28 coordinates: [ 0.242630320000000, 0.063680030000000, 0.703397790000000 ] mass: 39.098300 - symbol: K # 29 coordinates: [ 0.112264060000000, 0.970888900000000, 0.418886720000000 ] mass: 39.098300 - symbol: K # 30 coordinates: [ 0.095809460000000, 0.261261240000000, 0.528697600000000 ] mass: 39.098300 - symbol: K # 31 coordinates: [ 0.085841080000000, 0.540077130000000, 0.640448800000000 ] mass: 39.098300 - symbol: K # 32 coordinates: [ 0.112264060000000, 0.529111100000000, 0.918886720000000 ] mass: 39.098300 - symbol: Al # 33 coordinates: [ 0.910461090000000, 0.196680470000000, 0.232604300000000 ] mass: 26.981539 - symbol: Al # 34 coordinates: [ 0.910461090000000, 0.303319530000000, 0.732604300000000 ] mass: 26.981539 - symbol: Al # 35 coordinates: [ 0.712732580000000, 0.702942030000000, 0.162144180000000 ] mass: 26.981539 - symbol: Al # 36 coordinates: [ 0.712732580000000, 0.797057970000000, 0.662144180000000 ] mass: 26.981539 - symbol: Al # 37 coordinates: [ 0.287267420000000, 0.202942030000000, 0.337855820000000 ] mass: 26.981539 - symbol: Al # 38 coordinates: [ 0.287267420000000, 0.297057970000000, 0.837855820000000 ] mass: 26.981539 - symbol: Al # 39 coordinates: [ 0.089538910000000, 0.696680470000000, 0.267395700000000 ] mass: 26.981539 - symbol: Al # 40 coordinates: [ 0.089538910000000, 0.803319530000000, 0.767395700000000 ] mass: 26.981539 - symbol: O # 41 coordinates: [ 0.884633540000000, 0.112501160000000, 0.093195610000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.901762700000000, 0.760067800000000, 0.219591080000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.895601270000000, 0.119358980000000, 0.365921130000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.884633540000000, 0.387498840000000, 0.593195610000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.778650150000000, 0.307428990000000, 0.196285670000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.901762700000000, 0.739932200000000, 0.719591080000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.895601270000000, 0.380641020000000, 0.865921130000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.692336520000000, 0.618892650000000, 0.290286770000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.778650150000000, 0.192571010000000, 0.696285670000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.585052700000000, 0.818169070000000, 0.123998040000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.682390550000000, 0.878735280000000, 0.520274360000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.692336520000000, 0.881107350000000, 0.790286770000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.585052700000000, 0.681830930000000, 0.623998040000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.317609450000000, 0.378735280000000, 0.979725640000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.682390550000000, 0.621264720000000, 0.020274360000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.414947300000000, 0.318169070000000, 0.376001960000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.307663480000000, 0.118892650000000, 0.209713230000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.317609450000000, 0.121264720000000, 0.479725640000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.414947300000000, 0.181830930000000, 0.876001960000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.221349850000000, 0.807428990000000, 0.303714330000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.307663480000000, 0.381107350000000, 0.709713230000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.104398730000000, 0.619358980000000, 0.134078870000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.098237300000000, 0.260067800000000, 0.280408920000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.221349850000000, 0.692571010000000, 0.803714330000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.115366460000000, 0.612501160000000, 0.406804390000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.104398730000000, 0.880641020000000, 0.634078870000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.098237300000000, 0.239932200000000, 0.780408920000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.115366460000000, 0.887498840000000, 0.906804390000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.104950431816995, 0.000000000000000, 0.033705626768746 ] # a* - [ 0.000000000000000, 0.081907430693796, 0.000000000000000 ] # b* - [ -0.000678832814348, 0.000000000000000, 0.094849703478965 ] # c*unit_cell: lattice: - [ 9.506457010000000, 0.000000000000000, 0.068037060000000 ] # a - [ 0.000000000000000, 12.208904510000000, 0.000000000000000 ] # b - [ -3.378198140000000, 0.000000000000000, 10.518818000000000 ] # c points: - symbol: K # 1 coordinates: [ 0.887735940000000, 0.470888900000000, 0.081113280000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.914158920000000, 0.459922870000000, 0.359551200000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.904190540000000, 0.738738760000000, 0.471302400000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.887735940000000, 0.029111100000000, 0.581113280000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.757369680000000, 0.936319970000000, 0.296602210000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.914158920000000, 0.040077130000000, 0.859551200000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 7 coordinates: [ 0.704123730000000, 0.246328300000000, 0.432293410000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 8 coordinates: [ 0.904190540000000, 0.761261240000000, 0.971302400000000 ] mass: 39.098300 reduced_to: 8 - symbol: K # 9 coordinates: [ 0.572840680000000, 0.464843260000000, 0.141743520000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 10 coordinates: [ 0.666819890000000, 0.515972860000000, 0.493028410000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 11 coordinates: [ 0.757369680000000, 0.563680030000000, 0.796602210000000 ] mass: 39.098300 reduced_to: 11 - symbol: K # 12 coordinates: [ 0.495251930000000, 0.230109700000000, 0.131501380000000 ] mass: 39.098300 reduced_to: 12 - symbol: K # 13 coordinates: [ 0.704123730000000, 0.253671700000000, 0.932293410000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 14 coordinates: [ 0.504748070000000, 0.730109700000000, 0.368498620000000 ] mass: 39.098300 reduced_to: 14 - symbol: K # 15 coordinates: [ 0.572840680000000, 0.035156740000000, 0.641743520000000 ] mass: 39.098300 reduced_to: 15 - symbol: K # 16 coordinates: [ 0.333180110000000, 0.015972860000000, 0.006971590000000 ] mass: 39.098300 reduced_to: 16 - symbol: K # 17 coordinates: [ 0.666819890000000, 0.984027140000000, 0.993028410000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 18 coordinates: [ 0.427159320000000, 0.964843260000000, 0.358256480000000 ] mass: 39.098300 reduced_to: 18 - symbol: K # 19 coordinates: [ 0.495251930000000, 0.269890300000000, 0.631501380000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 20 coordinates: [ 0.295876270000000, 0.746328300000000, 0.067706590000000 ] mass: 39.098300 reduced_to: 20 - symbol: K # 21 coordinates: [ 0.504748070000000, 0.769890300000000, 0.868498620000000 ] mass: 39.098300 reduced_to: 21 - symbol: K # 22 coordinates: [ 0.242630320000000, 0.436319970000000, 0.203397790000000 ] mass: 39.098300 reduced_to: 22 - symbol: K # 23 coordinates: [ 0.333180110000000, 0.484027140000000, 0.506971590000000 ] mass: 39.098300 reduced_to: 23 - symbol: K # 24 coordinates: [ 0.427159320000000, 0.535156740000000, 0.858256480000000 ] mass: 39.098300 reduced_to: 24 - symbol: K # 25 coordinates: [ 0.095809460000000, 0.238738760000000, 0.028697600000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 26 coordinates: [ 0.295876270000000, 0.753671700000000, 0.567706590000000 ] mass: 39.098300 reduced_to: 26 - symbol: K # 27 coordinates: [ 0.085841080000000, 0.959922870000000, 0.140448800000000 ] mass: 39.098300 reduced_to: 27 - symbol: K # 28 coordinates: [ 0.242630320000000, 0.063680030000000, 0.703397790000000 ] mass: 39.098300 reduced_to: 28 - symbol: K # 29 coordinates: [ 0.112264060000000, 0.970888900000000, 0.418886720000000 ] mass: 39.098300 reduced_to: 29 - symbol: K # 30 coordinates: [ 0.095809460000000, 0.261261240000000, 0.528697600000000 ] mass: 39.098300 reduced_to: 30 - symbol: K # 31 coordinates: [ 0.085841080000000, 0.540077130000000, 0.640448800000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 32 coordinates: [ 0.112264060000000, 0.529111100000000, 0.918886720000000 ] mass: 39.098300 reduced_to: 32 - symbol: Al # 33 coordinates: [ 0.910461090000000, 0.196680470000000, 0.232604300000000 ] mass: 26.981539 reduced_to: 33 - symbol: Al # 34 coordinates: [ 0.910461090000000, 0.303319530000000, 0.732604300000000 ] mass: 26.981539 reduced_to: 34 - symbol: Al # 35 coordinates: [ 0.712732580000000, 0.702942030000000, 0.162144180000000 ] mass: 26.981539 reduced_to: 35 - symbol: Al # 36 coordinates: [ 0.712732580000000, 0.797057970000000, 0.662144180000000 ] mass: 26.981539 reduced_to: 36 - symbol: Al # 37 coordinates: [ 0.287267420000000, 0.202942030000000, 0.337855820000000 ] mass: 26.981539 reduced_to: 37 - symbol: Al # 38 coordinates: [ 0.287267420000000, 0.297057970000000, 0.837855820000000 ] mass: 26.981539 reduced_to: 38 - symbol: Al # 39 coordinates: [ 0.089538910000000, 0.696680470000000, 0.267395700000000 ] mass: 26.981539 reduced_to: 39 - symbol: Al # 40 coordinates: [ 0.089538910000000, 0.803319530000000, 0.767395700000000 ] mass: 26.981539 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.884633540000000, 0.112501160000000, 0.093195610000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.901762700000000, 0.760067800000000, 0.219591080000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.895601270000000, 0.119358980000000, 0.365921130000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.884633540000000, 0.387498840000000, 0.593195610000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.778650150000000, 0.307428990000000, 0.196285670000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.901762700000000, 0.739932200000000, 0.719591080000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.895601270000000, 0.380641020000000, 0.865921130000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.692336520000000, 0.618892650000000, 0.290286770000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.778650150000000, 0.192571010000000, 0.696285670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.585052700000000, 0.818169070000000, 0.123998040000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.682390550000000, 0.878735280000000, 0.520274360000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.692336520000000, 0.881107350000000, 0.790286770000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.585052700000000, 0.681830930000000, 0.623998040000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.317609450000000, 0.378735280000000, 0.979725640000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.682390550000000, 0.621264720000000, 0.020274360000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.414947300000000, 0.318169070000000, 0.376001960000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.307663480000000, 0.118892650000000, 0.209713230000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.317609450000000, 0.121264720000000, 0.479725640000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.414947300000000, 0.181830930000000, 0.876001960000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.221349850000000, 0.807428990000000, 0.303714330000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.307663480000000, 0.381107350000000, 0.709713230000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.104398730000000, 0.619358980000000, 0.134078870000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.098237300000000, 0.260067800000000, 0.280408920000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.221349850000000, 0.692571010000000, 0.803714330000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.115366460000000, 0.612501160000000, 0.406804390000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.104398730000000, 0.880641020000000, 0.634078870000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.098237300000000, 0.239932200000000, 0.780408920000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.115366460000000, 0.887498840000000, 0.906804390000000 ] mass: 15.999400 reduced_to: 68supercell: lattice: - [ 19.012914020000000, 0.000000000000000, 0.136074120000000 ] # a - [ 0.000000000000000, 12.208904510000000, 0.000000000000000 ] # b - [ -3.378198140000000, 0.000000000000000, 10.518818000000000 ] # c points: - symbol: K # 1 coordinates: [ 0.443867970000000, 0.470888900000000, 0.081113280000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.943867970000000, 0.470888900000000, 0.081113280000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 3 coordinates: [ 0.457079460000000, 0.459922870000000, 0.359551200000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.957079460000000, 0.459922870000000, 0.359551200000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 5 coordinates: [ 0.452095270000000, 0.738738760000000, 0.471302400000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.952095270000000, 0.738738760000000, 0.471302400000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 7 coordinates: [ 0.443867970000000, 0.029111100000000, 0.581113280000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 8 coordinates: [ 0.943867970000000, 0.029111100000000, 0.581113280000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 9 coordinates: [ 0.378684840000000, 0.936319970000000, 0.296602210000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 10 coordinates: [ 0.878684840000000, 0.936319970000000, 0.296602210000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 11 coordinates: [ 0.457079460000000, 0.040077130000000, 0.859551200000000 ] mass: 39.098300 reduced_to: 11 - symbol: K # 12 coordinates: [ 0.957079460000000, 0.040077130000000, 0.859551200000000 ] mass: 39.098300 reduced_to: 11 - symbol: K # 13 coordinates: [ 0.352061865000000, 0.246328300000000, 0.432293410000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 14 coordinates: [ 0.852061865000000, 0.246328300000000, 0.432293410000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 15 coordinates: [ 0.452095270000000, 0.761261240000000, 0.971302400000000 ] mass: 39.098300 reduced_to: 15 - symbol: K # 16 coordinates: [ 0.952095270000000, 0.761261240000000, 0.971302400000000 ] mass: 39.098300 reduced_to: 15 - symbol: K # 17 coordinates: [ 0.286420340000000, 0.464843260000000, 0.141743520000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 18 coordinates: [ 0.786420340000000, 0.464843260000000, 0.141743520000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 19 coordinates: [ 0.333409945000000, 0.515972860000000, 0.493028410000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 20 coordinates: [ 0.833409945000000, 0.515972860000000, 0.493028410000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 21 coordinates: [ 0.378684840000000, 0.563680030000000, 0.796602210000000 ] mass: 39.098300 reduced_to: 21 - symbol: K # 22 coordinates: [ 0.878684840000000, 0.563680030000000, 0.796602210000000 ] mass: 39.098300 reduced_to: 21 - symbol: K # 23 coordinates: [ 0.247625965000000, 0.230109700000000, 0.131501380000000 ] mass: 39.098300 reduced_to: 23 - symbol: K # 24 coordinates: [ 0.747625965000000, 0.230109700000000, 0.131501380000000 ] mass: 39.098300 reduced_to: 23 - symbol: K # 25 coordinates: [ 0.352061865000000, 0.253671700000000, 0.932293410000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 26 coordinates: [ 0.852061865000000, 0.253671700000000, 0.932293410000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 27 coordinates: [ 0.252374035000000, 0.730109700000000, 0.368498620000000 ] mass: 39.098300 reduced_to: 27 - symbol: K # 28 coordinates: [ 0.752374035000000, 0.730109700000000, 0.368498620000000 ] mass: 39.098300 reduced_to: 27 - symbol: K # 29 coordinates: [ 0.286420340000000, 0.035156740000000, 0.641743520000000 ] mass: 39.098300 reduced_to: 29 - symbol: K # 30 coordinates: [ 0.786420340000000, 0.035156740000000, 0.641743520000000 ] mass: 39.098300 reduced_to: 29 - symbol: K # 31 coordinates: [ 0.166590055000000, 0.015972860000000, 0.006971590000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 32 coordinates: [ 0.666590055000000, 0.015972860000000, 0.006971590000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 33 coordinates: [ 0.333409945000000, 0.984027140000000, 0.993028410000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 34 coordinates: [ 0.833409945000000, 0.984027140000000, 0.993028410000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 35 coordinates: [ 0.213579660000000, 0.964843260000000, 0.358256480000000 ] mass: 39.098300 reduced_to: 35 - symbol: K # 36 coordinates: [ 0.713579660000000, 0.964843260000000, 0.358256480000000 ] mass: 39.098300 reduced_to: 35 - symbol: K # 37 coordinates: [ 0.247625965000000, 0.269890300000000, 0.631501380000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 38 coordinates: [ 0.747625965000000, 0.269890300000000, 0.631501380000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 39 coordinates: [ 0.147938135000000, 0.746328300000000, 0.067706590000000 ] mass: 39.098300 reduced_to: 39 - symbol: K # 40 coordinates: [ 0.647938135000000, 0.746328300000000, 0.067706590000000 ] mass: 39.098300 reduced_to: 39 - symbol: K # 41 coordinates: [ 0.252374035000000, 0.769890300000000, 0.868498620000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 42 coordinates: [ 0.752374035000000, 0.769890300000000, 0.868498620000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 43 coordinates: [ 0.121315160000000, 0.436319970000000, 0.203397790000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 44 coordinates: [ 0.621315160000000, 0.436319970000000, 0.203397790000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 45 coordinates: [ 0.166590055000000, 0.484027140000000, 0.506971590000000 ] mass: 39.098300 reduced_to: 45 - symbol: K # 46 coordinates: [ 0.666590055000000, 0.484027140000000, 0.506971590000000 ] mass: 39.098300 reduced_to: 45 - symbol: K # 47 coordinates: [ 0.213579660000000, 0.535156740000000, 0.858256480000000 ] mass: 39.098300 reduced_to: 47 - symbol: K # 48 coordinates: [ 0.713579660000000, 0.535156740000000, 0.858256480000000 ] mass: 39.098300 reduced_to: 47 - symbol: K # 49 coordinates: [ 0.047904730000000, 0.238738760000000, 0.028697600000000 ] mass: 39.098300 reduced_to: 49 - symbol: K # 50 coordinates: [ 0.547904730000000, 0.238738760000000, 0.028697600000000 ] mass: 39.098300 reduced_to: 49 - symbol: K # 51 coordinates: [ 0.147938135000000, 0.753671700000000, 0.567706590000000 ] mass: 39.098300 reduced_to: 51 - symbol: K # 52 coordinates: [ 0.647938135000000, 0.753671700000000, 0.567706590000000 ] mass: 39.098300 reduced_to: 51 - symbol: K # 53 coordinates: [ 0.042920540000000, 0.959922870000000, 0.140448800000000 ] mass: 39.098300 reduced_to: 53 - symbol: K # 54 coordinates: [ 0.542920540000000, 0.959922870000000, 0.140448800000000 ] mass: 39.098300 reduced_to: 53 - symbol: K # 55 coordinates: [ 0.121315160000000, 0.063680030000000, 0.703397790000000 ] mass: 39.098300 reduced_to: 55 - symbol: K # 56 coordinates: [ 0.621315160000000, 0.063680030000000, 0.703397790000000 ] mass: 39.098300 reduced_to: 55 - symbol: K # 57 coordinates: [ 0.056132030000000, 0.970888900000000, 0.418886720000000 ] mass: 39.098300 reduced_to: 57 - symbol: K # 58 coordinates: [ 0.556132030000000, 0.970888900000000, 0.418886720000000 ] mass: 39.098300 reduced_to: 57 - symbol: K # 59 coordinates: [ 0.047904730000000, 0.261261240000000, 0.528697600000000 ] mass: 39.098300 reduced_to: 59 - symbol: K # 60 coordinates: [ 0.547904730000000, 0.261261240000000, 0.528697600000000 ] mass: 39.098300 reduced_to: 59 - symbol: K # 61 coordinates: [ 0.042920540000000, 0.540077130000000, 0.640448800000000 ] mass: 39.098300 reduced_to: 61 - symbol: K # 62 coordinates: [ 0.542920540000000, 0.540077130000000, 0.640448800000000 ] mass: 39.098300 reduced_to: 61 - symbol: K # 63 coordinates: [ 0.056132030000000, 0.529111100000000, 0.918886720000000 ] mass: 39.098300 reduced_to: 63 - symbol: K # 64 coordinates: [ 0.556132030000000, 0.529111100000000, 0.918886720000000 ] mass: 39.098300 reduced_to: 63 - symbol: Al # 65 coordinates: [ 0.455230545000000, 0.196680470000000, 0.232604300000000 ] mass: 26.981539 reduced_to: 65 - symbol: Al # 66 coordinates: [ 0.955230545000000, 0.196680470000000, 0.232604300000000 ] mass: 26.981539 reduced_to: 65 - symbol: Al # 67 coordinates: [ 0.455230545000000, 0.303319530000000, 0.732604300000000 ] mass: 26.981539 reduced_to: 67 - symbol: Al # 68 coordinates: [ 0.955230545000000, 0.303319530000000, 0.732604300000000 ] mass: 26.981539 reduced_to: 67 - symbol: Al # 69 coordinates: [ 0.356366290000000, 0.702942030000000, 0.162144180000000 ] mass: 26.981539 reduced_to: 69 - symbol: Al # 70 coordinates: [ 0.856366290000000, 0.702942030000000, 0.162144180000000 ] mass: 26.981539 reduced_to: 69 - symbol: Al # 71 coordinates: [ 0.356366290000000, 0.797057970000000, 0.662144180000000 ] mass: 26.981539 reduced_to: 71 - symbol: Al # 72 coordinates: [ 0.856366290000000, 0.797057970000000, 0.662144180000000 ] mass: 26.981539 reduced_to: 71 - symbol: Al # 73 coordinates: [ 0.143633710000000, 0.202942030000000, 0.337855820000000 ] mass: 26.981539 reduced_to: 73 - symbol: Al # 74 coordinates: [ 0.643633710000000, 0.202942030000000, 0.337855820000000 ] mass: 26.981539 reduced_to: 73 - symbol: Al # 75 coordinates: [ 0.143633710000000, 0.297057970000000, 0.837855820000000 ] mass: 26.981539 reduced_to: 75 - symbol: Al # 76 coordinates: [ 0.643633710000000, 0.297057970000000, 0.837855820000000 ] mass: 26.981539 reduced_to: 75 - symbol: Al # 77 coordinates: [ 0.044769455000000, 0.696680470000000, 0.267395700000000 ] mass: 26.981539 reduced_to: 77 - symbol: Al # 78 coordinates: [ 0.544769455000000, 0.696680470000000, 0.267395700000000 ] mass: 26.981539 reduced_to: 77 - symbol: Al # 79 coordinates: [ 0.044769455000000, 0.803319530000000, 0.767395700000000 ] mass: 26.981539 reduced_to: 79 - symbol: Al # 80 coordinates: [ 0.544769455000000, 0.803319530000000, 0.767395700000000 ] mass: 26.981539 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.442316770000000, 0.112501160000000, 0.093195610000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.942316770000000, 0.112501160000000, 0.093195610000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.450881350000000, 0.760067800000000, 0.219591080000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.950881350000000, 0.760067800000000, 0.219591080000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.447800635000000, 0.119358980000000, 0.365921130000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.947800635000000, 0.119358980000000, 0.365921130000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.442316770000000, 0.387498840000000, 0.593195610000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.942316770000000, 0.387498840000000, 0.593195610000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.389325075000000, 0.307428990000000, 0.196285670000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.889325075000000, 0.307428990000000, 0.196285670000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.450881350000000, 0.739932200000000, 0.719591080000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.950881350000000, 0.739932200000000, 0.719591080000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.447800635000000, 0.380641020000000, 0.865921130000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.947800635000000, 0.380641020000000, 0.865921130000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.346168260000000, 0.618892650000000, 0.290286770000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.846168260000000, 0.618892650000000, 0.290286770000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.389325075000000, 0.192571010000000, 0.696285670000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.889325075000000, 0.192571010000000, 0.696285670000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.292526350000000, 0.818169070000000, 0.123998040000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.792526350000000, 0.818169070000000, 0.123998040000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.341195275000000, 0.878735280000000, 0.520274360000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.841195275000000, 0.878735280000000, 0.520274360000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.346168260000000, 0.881107350000000, 0.790286770000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.846168260000000, 0.881107350000000, 0.790286770000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.292526350000000, 0.681830930000000, 0.623998040000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.792526350000000, 0.681830930000000, 0.623998040000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.158804725000000, 0.378735280000000, 0.979725640000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.658804725000000, 0.378735280000000, 0.979725640000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 109 coordinates: [ 0.341195275000000, 0.621264720000000, 0.020274360000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.841195275000000, 0.621264720000000, 0.020274360000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.207473650000000, 0.318169070000000, 0.376001960000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.707473650000000, 0.318169070000000, 0.376001960000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 113 coordinates: [ 0.153831740000000, 0.118892650000000, 0.209713230000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.653831740000000, 0.118892650000000, 0.209713230000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.158804725000000, 0.121264720000000, 0.479725640000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.658804725000000, 0.121264720000000, 0.479725640000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 117 coordinates: [ 0.207473650000000, 0.181830930000000, 0.876001960000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.707473650000000, 0.181830930000000, 0.876001960000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.110674925000000, 0.807428990000000, 0.303714330000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.610674925000000, 0.807428990000000, 0.303714330000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 121 coordinates: [ 0.153831740000000, 0.381107350000000, 0.709713230000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.653831740000000, 0.381107350000000, 0.709713230000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.052199365000000, 0.619358980000000, 0.134078870000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.552199365000000, 0.619358980000000, 0.134078870000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 125 coordinates: [ 0.049118650000000, 0.260067800000000, 0.280408920000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.549118650000000, 0.260067800000000, 0.280408920000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.110674925000000, 0.692571010000000, 0.803714330000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.610674925000000, 0.692571010000000, 0.803714330000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 129 coordinates: [ 0.057683230000000, 0.612501160000000, 0.406804390000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.557683230000000, 0.612501160000000, 0.406804390000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 131 coordinates: [ 0.052199365000000, 0.880641020000000, 0.634078870000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.552199365000000, 0.880641020000000, 0.634078870000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 133 coordinates: [ 0.049118650000000, 0.239932200000000, 0.780408920000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.549118650000000, 0.239932200000000, 0.780408920000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.057683230000000, 0.887498840000000, 0.906804390000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.557683230000000, 0.887498840000000, 0.906804390000000 ] mass: 15.999400 reduced_to: 135displacements:- atom: 1 displacement: [ 0.0099997439015081, 0.0000000000000000, 0.0000715674804079 ] forces: - [ -0.0402752100000000, -0.0019171100000000, 0.0038915900000000 ] - [ 0.0003476000000000, 0.0003520600000000, 0.0000156900000000 ] - [ -0.0027639000000000, 0.0001202500000000, -0.0043269300000000 ] - [ 0.0002559700000000, 0.0001513900000000, 0.0000828900000000 ] - [ -0.0003177900000000, -0.0002853600000000, -0.0003251800000000 ] - [ 0.0003877000000000, -0.0001349700000000, 0.0001807300000000 ] - [ -0.0001859600000000, -0.0003669000000000, -0.0001620700000000 ] - [ 0.0002364300000000, -0.0003491600000000, 0.0000585600000000 ] - [ -0.0000842500000000, -0.0002091000000000, 0.0000464300000000 ] - [ 0.0003253100000000, -0.0000079800000000, 0.0002743200000000 ] - [ -0.0003865000000000, -0.0002104300000000, -0.0001245300000000 ] - [ 0.0002087100000000, -0.0001341700000000, 0.0000492600000000 ] - [ 0.0001887700000000, 0.0002789700000000, -0.0006429700000000 ] - [ 0.0005567000000000, 0.0000096100000000, -0.0000494600000000 ] - [ -0.0010928200000000, 0.0009042900000000, -0.0002979000000000 ] - [ 0.0004213400000000, 0.0001341700000000, 0.0001295400000000 ] - [ 0.0086156100000000, 0.0006047800000000, -0.0016288000000000 ] - [ 0.0011536100000000, 0.0003590800000000, 0.0003640900000000 ] - [ 0.0000744100000000, 0.0001077600000000, -0.0002798700000000 ] - [ 0.0003904300000000, -0.0000110500000000, 0.0004861800000000 ] - [ -0.0022389800000000, -0.0002273400000000, 0.0010684000000000 ] - [ 0.0003897600000000, 0.0000097100000000, 0.0002793500000000 ] - [ 0.0002164400000000, 0.0010895600000000, -0.0005371400000000 ] - [ 0.0000876100000000, 0.0001287600000000, -0.0002696000000000 ] - [ -0.0004919000000000, 0.0027910800000000, 0.0016413300000000 ] - [ 0.0005666800000000, -0.0000792600000000, -0.0001326500000000 ] - [ 0.0005346900000000, 0.0001442900000000, 0.0001603700000000 ] - [ 0.0005613200000000, 0.0004715000000000, 0.0005477400000000 ] - [ 0.0004333100000000, -0.0002602400000000, 0.0002450800000000 ] - [ 0.0007279400000000, -0.0003347600000000, 0.0003174400000000 ] - [ 0.0000041500000000, 0.0000493700000000, -0.0002693600000000 ] - [ -0.0000742100000000, -0.0001291300000000, -0.0003515600000000 ] - [ -0.0000791200000000, 0.0000566500000000, 0.0003253800000000 ] - [ 0.0003159000000000, 0.0000310800000000, 0.0003630100000000 ] - [ -0.0005224200000000, 0.0002422800000000, -0.0003067100000000 ] - [ -0.0004732200000000, 0.0002238200000000, -0.0001747000000000 ] - [ -0.0004956800000000, -0.0002683900000000, -0.0002740900000000 ] - [ -0.0001250100000000, -0.0003900500000000, -0.0002412000000000 ] - [ 0.0000742300000000, -0.0001048100000000, 0.0002361400000000 ] - [ 0.0002343600000000, 0.0006597200000000, 0.0001449100000000 ] - [ 0.0004436200000000, -0.0007760000000000, 0.0007153600000000 ] - [ 0.0005275300000000, -0.0002609100000000, 0.0003781200000000 ] - [ 0.0004030200000000, -0.0000210100000000, -0.0002838800000000 ] - [ 0.0062033300000000, -0.0021019300000000, 0.0037648800000000 ] - [ -0.0000142500000000, -0.0000112300000000, -0.0002666000000000 ] - [ -0.0000738400000000, 0.0000393000000000, 0.0001669200000000 ] - [ 0.0006178500000000, -0.0006464400000000, 0.0009351400000000 ] - [ -0.0000783300000000, -0.0001188300000000, -0.0003326900000000 ] - [ 0.0001668800000000, -0.0000645600000000, -0.0000582700000000 ] - [ 0.0004950400000000, -0.0028838900000000, -0.0005016400000000 ] - [ -0.0001509200000000, -0.0001179700000000, 0.0002565400000000 ] - [ -0.0002249000000000, 0.0000432500000000, 0.0002015600000000 ] - [ 0.0001992400000000, 0.0001278400000000, 0.0000573100000000 ] - [ -0.0002939000000000, 0.0001672200000000, -0.0000152800000000 ] - [ -0.0000372100000000, 0.0001311700000000, -0.0001038500000000 ] - [ -0.0001991900000000, -0.0000497000000000, -0.0002851300000000 ] - [ 0.0001088600000000, 0.0003537500000000, 0.0000606800000000 ] - [ -0.0002970200000000, 0.0003129100000000, -0.0000333100000000 ] - [ 0.0000445800000000, 0.0001816900000000, 0.0000585600000000 ] - [ -0.0005786600000000, 0.0001645500000000, -0.0002170400000000 ] - [ 0.0002627300000000, -0.0001460800000000, 0.0001943100000000 ] - [ -0.0002509400000000, -0.0001928200000000, -0.0005962400000000 ] - [ 0.0003444600000000, -0.0004260600000000, 0.0001211700000000 ] - [ 0.0052738000000000, 0.0016736800000000, -0.0046156800000000 ] - [ -0.0028636000000000, 0.0006685500000000, -0.0010917000000000 ] - [ 0.0007562300000000, -0.0005651800000000, -0.0000006500000000 ] - [ -0.0000741100000000, 0.0000199800000000, -0.0016492000000000 ] - [ 0.0007785400000000, 0.0004862700000000, 0.0001027800000000 ] - [ 0.0008621000000000, -0.0060447900000000, -0.0011360600000000 ] - [ 0.0006851600000000, -0.0005340600000000, 0.0002767200000000 ] - [ -0.0005435900000000, 0.0005849200000000, -0.0000911600000000 ] - [ 0.0006478300000000, 0.0006721100000000, 0.0003469100000000 ] - [ 0.0002385100000000, -0.0004911100000000, -0.0001205300000000 ] - [ -0.0000560300000000, -0.0014152800000000, 0.0001578200000000 ] - [ 0.0001982900000000, 0.0011730600000000, 0.0005271500000000 ] - [ -0.0000672000000000, -0.0001613200000000, -0.0011028600000000 ] - [ 0.0002456200000000, -0.0006169000000000, 0.0001900800000000 ] - [ -0.0015761600000000, 0.0028719200000000, 0.0020486000000000 ] - [ 0.0002791200000000, 0.0003652800000000, 0.0003732500000000 ] - [ -0.0009227400000000, 0.0009160900000000, -0.0002714300000000 ] - [ 0.0014728000000000, -0.0000810100000000, -0.0001774500000000 ] - [ -0.0003275700000000, 0.0003380000000000, -0.0003392300000000 ] - [ 0.0022330500000000, 0.0005246400000000, 0.0002916500000000 ] - [ -0.0008509900000000, 0.0002077100000000, -0.0004748300000000 ] - [ 0.0005993400000000, -0.0003484000000000, 0.0008101100000000 ] - [ -0.0005722400000000, 0.0000425800000000, 0.0002270200000000 ] - [ 0.0004456300000000, -0.0004667500000000, 0.0008104600000000 ] - [ -0.0003509300000000, -0.0003165300000000, -0.0004785600000000 ] - [ 0.0050409300000000, 0.0014003400000000, -0.0005604100000000 ] - [ -0.0000308700000000, -0.0000354800000000, -0.0000801600000000 ] - [ 0.0006168200000000, -0.0003588200000000, 0.0001771000000000 ] - [ -0.0008261300000000, -0.0001906700000000, -0.0005295500000000 ] - [ 0.0040419700000000, -0.0011029300000000, -0.0018690000000000 ] - [ -0.0006702800000000, -0.0000345700000000, 0.0002034400000000 ] - [ -0.0010329700000000, 0.0022734700000000, 0.0028363600000000 ] - [ -0.0006709400000000, 0.0000194800000000, 0.0003150400000000 ] - [ 0.0011779700000000, 0.0005708400000000, 0.0004447600000000 ] - [ 0.0000656100000000, 0.0001057600000000, -0.0001121200000000 ] - [ 0.0003082800000000, 0.0009487100000000, 0.0003101400000000 ] - [ 0.0000720500000000, -0.0000304600000000, 0.0001786600000000 ] - [ 0.0001996800000000, 0.0002851300000000, 0.0000463300000000 ] - [ -0.0004155700000000, 0.0001162500000000, -0.0003583200000000 ] - [ 0.0002967200000000, -0.0000711500000000, 0.0004650400000000 ] - [ -0.0005352700000000, -0.0001761900000000, 0.0003861300000000 ] - [ 0.0007338300000000, 0.0002396300000000, 0.0003753200000000 ] - [ 0.0001078900000000, -0.0001368600000000, 0.0001367900000000 ] - [ -0.0010667800000000, -0.0004617500000000, -0.0005431700000000 ] - [ -0.0014681400000000, 0.0010889400000000, 0.0010171400000000 ] - [ 0.0087833700000000, -0.0059821300000000, 0.0018931000000000 ] - [ -0.0005581000000000, -0.0002372600000000, -0.0003000400000000 ] - [ -0.0008361500000000, -0.0002982100000000, -0.0000656100000000 ] - [ -0.0010005600000000, 0.0008769400000000, -0.0012429500000000 ] - [ -0.0001192800000000, 0.0000127000000000, -0.0003720900000000 ] - [ 0.0001043800000000, 0.0006507200000000, -0.0005585400000000 ] - [ -0.0000370000000000, -0.0002760500000000, 0.0002525000000000 ] - [ 0.0001819500000000, 0.0002309000000000, -0.0001016500000000 ] - [ -0.0006822700000000, -0.0004154900000000, -0.0006089100000000 ] - [ -0.0008014100000000, 0.0004619300000000, -0.0001523200000000 ] - [ -0.0008536700000000, -0.0001358200000000, -0.0001129000000000 ] - [ -0.0003584400000000, -0.0008510400000000, -0.0003946000000000 ] - [ -0.0000407800000000, -0.0004233300000000, -0.0010144800000000 ] - [ 0.0001217300000000, -0.0000400500000000, -0.0000794800000000 ] - [ -0.0002596200000000, 0.0001404200000000, -0.0003307500000000 ] - [ 0.0072563900000000, 0.0043356200000000, 0.0010769300000000 ] - [ -0.0002812000000000, 0.0001349400000000, 0.0001959900000000 ] - [ 0.0019068500000000, 0.0019866100000000, -0.0005566400000000 ] - [ -0.0010372800000000, 0.0005127800000000, -0.0003408100000000 ] - [ -0.0007373500000000, -0.0007342300000000, 0.0005389700000000 ] - [ -0.0003784200000000, 0.0003884900000000, 0.0001514000000000 ] - [ 0.0011941100000000, -0.0002004500000000, -0.0010764500000000 ] - [ -0.0000556700000000, 0.0000160500000000, -0.0004929900000000 ] - [ 0.0005761100000000, -0.0001548400000000, -0.0000322800000000 ] - [ -0.0003873200000000, -0.0003479200000000, -0.0000243800000000 ] - [ 0.0006028000000000, 0.0000386900000000, 0.0010039900000000 ] - [ -0.0003967400000000, -0.0002847100000000, 0.0001223800000000 ] - [ 0.0003179700000000, -0.0005625700000000, 0.0004395200000000 ]- atom: 1 displacement: [ -0.0099997439015081, 0.0000000000000000, -0.0000715674804079 ] forces: - [ 0.0403781700000000, 0.0021599100000000, -0.0039491000000000 ] - [ -0.0002626100000000, 0.0003502400000000, -0.0000513700000000 ] - [ 0.0027859300000000, 0.0001497700000000, 0.0042517800000000 ] - [ -0.0002678000000000, 0.0001220700000000, -0.0001206200000000 ] - [ 0.0006487500000000, -0.0000042100000000, 0.0004716800000000 ] - [ -0.0000569200000000, -0.0001546700000000, -0.0000345400000000 ] - [ 0.0002703700000000, -0.0003338000000000, 0.0001258400000000 ] - [ -0.0001514500000000, -0.0003535300000000, -0.0000943400000000 ] - [ 0.0003574000000000, 0.0001316700000000, 0.0003656500000000 ] - [ -0.0000533200000000, -0.0000717900000000, 0.0001379800000000 ] - [ 0.0003730300000000, -0.0000610000000000, 0.0000863100000000 ] - [ -0.0002205100000000, -0.0001396200000000, -0.0000872300000000 ] - [ 0.0003171400000000, -0.0001595400000000, 0.0002880200000000 ] - [ -0.0000533800000000, 0.0001102900000000, -0.0003051000000000 ] - [ 0.0014166000000000, -0.0006224600000000, 0.0004465700000000 ] - [ -0.0000904300000000, 0.0001562100000000, 0.0000162600000000 ] - [ -0.0076207300000000, -0.0000610900000000, 0.0021514700000000 ] - [ -0.0000249700000000, 0.0001923500000000, 0.0001229600000000 ] - [ 0.0001844500000000, -0.0001591000000000, 0.0009173400000000 ] - [ -0.0001324600000000, -0.0000376300000000, 0.0001472100000000 ] - [ 0.0025212100000000, 0.0002871200000000, -0.0006228500000000 ] - [ -0.0001175600000000, 0.0000705400000000, 0.0001326600000000 ] - [ -0.0008506200000000, -0.0004077600000000, -0.0001957000000000 ] - [ -0.0007216700000000, 0.0005576700000000, -0.0004652000000000 ] - [ 0.0010245100000000, -0.0029049800000000, -0.0019917000000000 ] - [ -0.0000633800000000, -0.0000413700000000, -0.0002223300000000 ] - [ 0.0000995700000000, 0.0005457400000000, 0.0005762400000000 ] - [ 0.0000729900000000, 0.0002180800000000, 0.0001878200000000 ] - [ 0.0006938000000000, -0.0002899200000000, 0.0002420000000000 ] - [ 0.0003972500000000, -0.0002162100000000, 0.0001685300000000 ] - [ -0.0002601200000000, -0.0000983900000000, -0.0003629300000000 ] - [ -0.0001840300000000, 0.0000800000000000, -0.0002811700000000 ] - [ 0.0003373600000000, -0.0000065900000000, 0.0003078600000000 ] - [ -0.0000587700000000, 0.0000178700000000, 0.0002695700000000 ] - [ -0.0006021600000000, 0.0003087400000000, -0.0001793000000000 ] - [ -0.0006534000000000, 0.0003270500000000, -0.0003118800000000 ] - [ -0.0001356400000000, -0.0004203100000000, -0.0004599100000000 ] - [ -0.0005105100000000, -0.0002988600000000, -0.0004941100000000 ] - [ -0.0005764600000000, 0.0002266600000000, 0.0001185000000000 ] - [ -0.0007356700000000, -0.0005347900000000, 0.0002101100000000 ] - [ 0.0001922500000000, 0.0000904800000000, 0.0000197400000000 ] - [ 0.0001071400000000, -0.0004270600000000, 0.0003569700000000 ] - [ -0.0006780600000000, -0.0000596200000000, -0.0001269300000000 ] - [ -0.0063782600000000, 0.0019919300000000, -0.0041060800000000 ] - [ -0.0002419600000000, 0.0000599900000000, -0.0003653200000000 ] - [ -0.0001849900000000, 0.0000097300000000, -0.0007972600000000 ] - [ -0.0017510500000000, 0.0001010400000000, -0.0014325100000000 ] - [ -0.0010451000000000, -0.0004307200000000, -0.0001550500000000 ] - [ -0.0004978400000000, -0.0002264000000000, -0.0000872000000000 ] - [ -0.0008385000000000, 0.0025816600000000, 0.0003529900000000 ] - [ -0.0003509700000000, -0.0000018100000000, 0.0000987900000000 ] - [ -0.0002784600000000, -0.0001628900000000, 0.0001525400000000 ] - [ -0.0001867600000000, 0.0001456400000000, -0.0000190400000000 ] - [ 0.0003043700000000, 0.0001071900000000, 0.0000532100000000 ] - [ -0.0002340100000000, -0.0000515200000000, -0.0003080700000000 ] - [ -0.0000740900000000, 0.0001296000000000, -0.0001278300000000 ] - [ -0.0001938300000000, 0.0003485400000000, -0.0000250700000000 ] - [ 0.0002111800000000, 0.0003906600000000, 0.0000684100000000 ] - [ -0.0003748400000000, 0.0001081500000000, -0.0002045600000000 ] - [ 0.0002453600000000, 0.0001255500000000, 0.0000686900000000 ] - [ -0.0002508900000000, -0.0001272700000000, -0.0001567600000000 ] - [ 0.0002603900000000, -0.0000829100000000, 0.0006305000000000 ] - [ -0.0004303500000000, -0.0002752500000000, -0.0000858100000000 ] - [ -0.0052977200000000, -0.0023498400000000, 0.0045801700000000 ] - [ 0.0033129600000000, -0.0016606600000000, 0.0007870900000000 ] - [ -0.0002964700000000, -0.0004522400000000, -0.0002928800000000 ] - [ 0.0005177000000000, 0.0010095700000000, 0.0013664200000000 ] - [ -0.0003197900000000, 0.0005302700000000, -0.0003976000000000 ] - [ -0.0004560900000000, 0.0047705400000000, 0.0014498700000000 ] - [ -0.0002790900000000, -0.0007768200000000, 0.0000489100000000 ] - [ 0.0009479100000000, 0.0007268600000000, 0.0004179700000000 ] - [ -0.0002416200000000, 0.0006405400000000, -0.0000217300000000 ] - [ -0.0006434300000000, -0.0008223000000000, -0.0002044100000000 ] - [ -0.0003622300000000, 0.0000991500000000, -0.0004851600000000 ] - [ -0.0006018200000000, 0.0001327100000000, -0.0008573500000000 ] - [ -0.0003436300000000, 0.0014656200000000, 0.0007669400000000 ] - [ -0.0007034400000000, -0.0003984000000000, 0.0001048600000000 ] - [ 0.0011126300000000, -0.0038804600000000, -0.0017558600000000 ] - [ -0.0007378400000000, 0.0006526400000000, -0.0000797600000000 ] - [ 0.0004598800000000, 0.0001039100000000, 0.0005636400000000 ] - [ -0.0013688100000000, 0.0007454600000000, -0.0003175900000000 ] - [ 0.0004287100000000, 0.0003358900000000, -0.0001539100000000 ] - [ -0.0027743700000000, -0.0001044700000000, -0.0009311700000000 ] - [ 0.0003099600000000, 0.0002121200000000, -0.0001662300000000 ] - [ -0.0010270300000000, 0.0003885100000000, -0.0001520100000000 ] - [ 0.0001409400000000, 0.0000048500000000, 0.0004246200000000 ] - [ -0.0003406900000000, -0.0002051300000000, -0.0013100500000000 ] - [ 0.0004520100000000, -0.0003570500000000, -0.0000137500000000 ] - [ -0.0041039500000000, -0.0018611300000000, 0.0007754300000000 ] - [ 0.0010418600000000, -0.0003000700000000, 0.0002160900000000 ] - [ -0.0011534100000000, -0.0000611800000000, -0.0008176900000000 ] - [ 0.0002852300000000, -0.0002302600000000, -0.0001111700000000 ] - [ -0.0044660400000000, 0.0010372400000000, 0.0024594000000000 ] - [ 0.0002394400000000, -0.0000117300000000, 0.0004490400000000 ] - [ 0.0005831200000000, -0.0019412300000000, -0.0019301700000000 ] - [ 0.0002200300000000, 0.0003275800000000, 0.0006079800000000 ] - [ -0.0001662700000000, -0.0002417400000000, -0.0003130800000000 ] - [ 0.0009464100000000, 0.0002309200000000, 0.0002484200000000 ] - [ 0.0006062700000000, -0.0009327400000000, 0.0002784900000000 ] - [ 0.0008471700000000, 0.0000447100000000, 0.0004045000000000 ] - [ -0.0004164000000000, -0.0000127800000000, -0.0004719600000000 ] - [ 0.0001993100000000, 0.0001570200000000, -0.0000656500000000 ] - [ -0.0007469700000000, -0.0002772300000000, 0.0004579500000000 ] - [ 0.0000848000000000, -0.0001718400000000, 0.0005382200000000 ] - [ 0.0001820900000000, -0.0002517100000000, 0.0002033700000000 ] - [ 0.0008107800000000, 0.0001212700000000, 0.0004465200000000 ] - [ 0.0012910500000000, 0.0007425000000000, 0.0009743600000000 ] - [ 0.0016728600000000, -0.0008046700000000, -0.0005824400000000 ] - [ -0.0092263000000000, 0.0060263700000000, -0.0024087700000000 ] - [ 0.0003409100000000, -0.0000374600000000, -0.0001245200000000 ] - [ -0.0000843100000000, 0.0003148100000000, -0.0005204400000000 ] - [ 0.0000820400000000, -0.0008525300000000, 0.0006524400000000 ] - [ 0.0005683700000000, 0.0003358600000000, -0.0005526000000000 ] - [ 0.0003501100000000, -0.0003014300000000, -0.0003654500000000 ] - [ 0.0002520100000000, 0.0000031300000000, 0.0001707700000000 ] - [ 0.0000387700000000, -0.0005037500000000, 0.0005270900000000 ] - [ -0.0002421600000000, 0.0004046900000000, 0.0000251500000000 ] - [ -0.0001164400000000, -0.0004735900000000, -0.0004287900000000 ] - [ -0.0001602600000000, -0.0002025600000000, -0.0000242600000000 ] - [ -0.0006521600000000, 0.0005163600000000, 0.0002619100000000 ] - [ 0.0004896300000000, 0.0000771000000000, 0.0000937200000000 ] - [ 0.0003304000000000, -0.0003062400000000, -0.0008403300000000 ] - [ 0.0006909600000000, -0.0000946400000000, -0.0003215500000000 ] - [ -0.0066214700000000, -0.0040269000000000, -0.0016464500000000 ] - [ 0.0008209700000000, 0.0002864300000000, 0.0004440400000000 ] - [ -0.0013447600000000, -0.0015702600000000, 0.0012048500000000 ] - [ 0.0000254000000000, -0.0001794100000000, 0.0002050500000000 ] - [ -0.0002767100000000, 0.0010646700000000, -0.0006712400000000 ] - [ 0.0002764000000000, 0.0002833800000000, 0.0003419400000000 ] - [ -0.0012876000000000, 0.0008738700000000, 0.0015677000000000 ] - [ 0.0004853800000000, -0.0000636200000000, -0.0001583200000000 ] - [ -0.0001437300000000, 0.0001057200000000, -0.0006181500000000 ] - [ 0.0009276900000000, -0.0000706400000000, 0.0006662100000000 ] - [ -0.0000517300000000, -0.0004616000000000, -0.0003605900000000 ] - [ 0.0002946500000000, -0.0003890100000000, 0.0003704500000000 ] - [ -0.0004167000000000, -0.0001120000000000, 0.0000542000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018876100000000, -0.0312396000000000, 0.0019343700000000 ] - [ 0.0000432600000000, 0.0002736300000000, -0.0000255300000000 ] - [ -0.0001347900000000, -0.0039597500000000, -0.0007178900000000 ] - [ -0.0000144800000000, 0.0000559700000000, -0.0000187800000000 ] - [ 0.0000513000000000, 0.0000371100000000, 0.0005532100000000 ] - [ 0.0001630600000000, -0.0001389200000000, 0.0000758200000000 ] - [ 0.0000591600000000, 0.0001627300000000, -0.0000530800000000 ] - [ 0.0000402000000000, -0.0002744100000000, -0.0000195300000000 ] - [ 0.0001942800000000, 0.0008358400000000, 0.0003560300000000 ] - [ 0.0001338700000000, 0.0000586200000000, 0.0002148700000000 ] - [ -0.0001592500000000, 0.0007712000000000, 0.0001435900000000 ] - [ -0.0000046700000000, -0.0000621900000000, -0.0000245400000000 ] - [ 0.0005970400000000, 0.0000714700000000, -0.0004856400000000 ] - [ 0.0001603600000000, 0.0000500900000000, -0.0002096000000000 ] - [ 0.0010371200000000, 0.0041566800000000, -0.0020551800000000 ] - [ 0.0001492100000000, 0.0001582600000000, 0.0000627500000000 ] - [ 0.0010306000000000, -0.0026666300000000, 0.0001000700000000 ] - [ 0.0005847800000000, 0.0000667600000000, 0.0002332400000000 ] - [ 0.0002516000000000, -0.0006471100000000, 0.0003640100000000 ] - [ 0.0001616700000000, -0.0001621600000000, 0.0003390000000000 ] - [ -0.0000058400000000, -0.0008572200000000, -0.0036194900000000 ] - [ 0.0001457800000000, -0.0000318000000000, 0.0002150400000000 ] - [ 0.0005501700000000, 0.0005639900000000, -0.0004402400000000 ] - [ -0.0005460800000000, 0.0003336700000000, -0.0003755300000000 ] - [ 0.0035324600000000, 0.0045192600000000, 0.0036565400000000 ] - [ 0.0001969100000000, -0.0000680600000000, -0.0001931100000000 ] - [ 0.0000853300000000, 0.0003962900000000, 0.0004473500000000 ] - [ 0.0005996800000000, 0.0004300300000000, 0.0005329500000000 ] - [ 0.0006137200000000, 0.0001390200000000, 0.0003375200000000 ] - [ 0.0005130400000000, -0.0001386000000000, 0.0002134200000000 ] - [ -0.0000533800000000, 0.0003075300000000, -0.0003203100000000 ] - [ -0.0002109300000000, 0.0003746300000000, -0.0002635400000000 ] - [ 0.0002458100000000, 0.0010970400000000, 0.0003609200000000 ] - [ 0.0001228000000000, 0.0001249300000000, 0.0003165700000000 ] - [ -0.0006235800000000, 0.0005596600000000, -0.0002396500000000 ] - [ -0.0005766600000000, 0.0006283200000000, -0.0002435300000000 ] - [ -0.0000177700000000, -0.0003754000000000, -0.0000028000000000 ] - [ -0.0004046400000000, -0.0004070300000000, -0.0004480200000000 ] - [ -0.0005769900000000, 0.0001305400000000, 0.0001350300000000 ] - [ 0.0004144300000000, 0.0004473100000000, 0.0000501000000000 ] - [ -0.0001268300000000, 0.0001489000000000, -0.0000650800000000 ] - [ 0.0004435500000000, -0.0003137600000000, 0.0003747100000000 ] - [ -0.0001152300000000, -0.0002212900000000, -0.0002060300000000 ] - [ -0.0014295800000000, -0.0023244600000000, -0.0005549700000000 ] - [ -0.0001467500000000, -0.0001852200000000, -0.0003183000000000 ] - [ -0.0000765000000000, -0.0004942900000000, -0.0002385300000000 ] - [ -0.0009697700000000, -0.0010181300000000, -0.0005015700000000 ] - [ -0.0004463400000000, -0.0004848800000000, -0.0002616200000000 ] - [ -0.0000706100000000, -0.0001486300000000, -0.0000704200000000 ] - [ -0.0034878100000000, 0.0024264900000000, 0.0005859700000000 ] - [ -0.0003863700000000, -0.0000243700000000, 0.0000957200000000 ] - [ -0.0001254500000000, 0.0000435600000000, 0.0003688900000000 ] - [ -0.0000103400000000, 0.0002455800000000, 0.0000143900000000 ] - [ 0.0000286900000000, 0.0012725000000000, -0.0000236100000000 ] - [ -0.0000768300000000, 0.0002266800000000, -0.0001423200000000 ] - [ -0.0001581500000000, 0.0003275100000000, -0.0002312900000000 ] - [ -0.0000450000000000, 0.0004565800000000, 0.0000183400000000 ] - [ -0.0000027700000000, 0.0011012000000000, 0.0000145300000000 ] - [ -0.0001230500000000, 0.0001282400000000, -0.0000423100000000 ] - [ -0.0002755000000000, 0.0000316700000000, -0.0005625600000000 ] - [ -0.0000473500000000, -0.0002453700000000, -0.0000154800000000 ] - [ -0.0000925500000000, -0.0006662300000000, 0.0000009000000000 ] - [ -0.0001175100000000, -0.0004925700000000, 0.0000065200000000 ] - [ 0.0019643500000000, -0.0025431000000000, -0.0014005000000000 ] - [ 0.0010401100000000, 0.0050936600000000, -0.0032116900000000 ] - [ 0.0002576000000000, -0.0004630900000000, -0.0001322200000000 ] - [ -0.0006126000000000, 0.0012644700000000, 0.0017380400000000 ] - [ 0.0003078900000000, 0.0004134800000000, -0.0001239900000000 ] - [ -0.0054555400000000, 0.0048277500000000, 0.0021612800000000 ] - [ 0.0002811100000000, -0.0007131900000000, 0.0001466500000000 ] - [ 0.0000010500000000, 0.0011416000000000, -0.0001368400000000 ] - [ 0.0002381500000000, 0.0007730300000000, 0.0001907800000000 ] - [ -0.0000353000000000, -0.0005935600000000, -0.0001661700000000 ] - [ -0.0023412900000000, -0.0000467800000000, -0.0009941800000000 ] - [ 0.0001877300000000, 0.0001706700000000, 0.0000815400000000 ] - [ -0.0009407400000000, 0.0004024900000000, -0.0001984700000000 ] - [ -0.0003071700000000, -0.0005695300000000, 0.0001445800000000 ] - [ 0.0028597800000000, 0.0034552300000000, 0.0044255200000000 ] - [ -0.0003785200000000, 0.0006910100000000, 0.0000872600000000 ] - [ 0.0002182200000000, 0.0009030100000000, 0.0000242200000000 ] - [ 0.0001104100000000, -0.0027156500000000, -0.0002003900000000 ] - [ 0.0000453800000000, 0.0002538900000000, -0.0002602300000000 ] - [ 0.0001373200000000, -0.0030264600000000, -0.0020856700000000 ] - [ -0.0002692000000000, 0.0001897100000000, -0.0003213500000000 ] - [ -0.0006160700000000, -0.0014614400000000, 0.0013414500000000 ] - [ -0.0002013200000000, -0.0000621100000000, 0.0003290900000000 ] - [ 0.0001881600000000, 0.0003679400000000, -0.0009159100000000 ] - [ 0.0000529800000000, -0.0002147400000000, -0.0002699600000000 ] - [ 0.0014253200000000, 0.0046483800000000, -0.0005533000000000 ] - [ 0.0005746600000000, -0.0001045800000000, 0.0000785100000000 ] - [ -0.0004807700000000, -0.0006077800000000, 0.0001628600000000 ] - [ -0.0002202700000000, -0.0002332900000000, -0.0003073000000000 ] - [ -0.0008598900000000, 0.0047396800000000, 0.0024861100000000 ] - [ -0.0002399800000000, 0.0000902900000000, 0.0003449400000000 ] - [ 0.0017016300000000, 0.0006903000000000, -0.0014712800000000 ] - [ -0.0003500700000000, 0.0003015100000000, 0.0004534300000000 ] - [ 0.0006390300000000, -0.0005275200000000, -0.0007077700000000 ] - [ 0.0005504900000000, 0.0001433400000000, 0.0000951900000000 ] - [ 0.0013286400000000, -0.0013311000000000, 0.0003344000000000 ] - [ 0.0002310200000000, -0.0001276000000000, 0.0002559000000000 ] - [ -0.0000555400000000, -0.0004552900000000, -0.0001575000000000 ] - [ -0.0001251400000000, -0.0000294800000000, -0.0002393300000000 ] - [ -0.0000479600000000, -0.0011236300000000, 0.0007617500000000 ] - [ -0.0002404600000000, -0.0003215000000000, 0.0004621000000000 ] - [ 0.0006614200000000, -0.0002303100000000, 0.0006957700000000 ] - [ 0.0003027400000000, 0.0000168200000000, 0.0001904400000000 ] - [ -0.0001253100000000, 0.0006678100000000, 0.0001130500000000 ] - [ 0.0006100500000000, 0.0009250100000000, 0.0001223700000000 ] - [ -0.0048711600000000, 0.0088324600000000, -0.0019468700000000 ] - [ -0.0001481300000000, -0.0000366600000000, -0.0001968300000000 ] - [ -0.0007786500000000, 0.0001950100000000, -0.0003104100000000 ] - [ 0.0001665500000000, 0.0004721300000000, -0.0000470200000000 ] - [ -0.0000266800000000, -0.0001100900000000, -0.0003766000000000 ] - [ 0.0010677600000000, -0.0006231600000000, -0.0003273500000000 ] - [ 0.0000362700000000, -0.0003171100000000, 0.0001589200000000 ] - [ 0.0005436300000000, -0.0007452700000000, 0.0007919000000000 ] - [ -0.0014728200000000, -0.0002335700000000, -0.0006766800000000 ] - [ -0.0002248300000000, -0.0001178400000000, -0.0002619700000000 ] - [ -0.0003084900000000, -0.0002642900000000, -0.0000373800000000 ] - [ -0.0012936400000000, -0.0013825800000000, -0.0006627800000000 ] - [ 0.0000959400000000, 0.0003494200000000, -0.0005151400000000 ] - [ 0.0004588400000000, 0.0002669000000000, -0.0005163300000000 ] - [ 0.0003125000000000, 0.0001543600000000, -0.0003157800000000 ] - [ 0.0030884600000000, 0.0065429700000000, 0.0007933500000000 ] - [ 0.0001720500000000, 0.0002331400000000, 0.0002908400000000 ] - [ 0.0027049900000000, -0.0017854800000000, 0.0030040200000000 ] - [ -0.0001451500000000, 0.0001260000000000, 0.0000938800000000 ] - [ -0.0008185600000000, 0.0001485700000000, 0.0001121000000000 ] - [ -0.0000039100000000, 0.0004476200000000, 0.0002458800000000 ] - [ -0.0002687900000000, 0.0008937100000000, -0.0020604000000000 ] - [ 0.0002559500000000, -0.0002183800000000, -0.0002773300000000 ] - [ 0.0000876900000000, -0.0005915300000000, -0.0002639400000000 ] - [ 0.0000499100000000, -0.0001459400000000, 0.0002132700000000 ] - [ 0.0011157000000000, -0.0004667600000000, -0.0000684700000000 ] - [ 0.0000129900000000, -0.0005422400000000, 0.0002513400000000 ] - [ -0.0004234300000000, -0.0012621100000000, 0.0004003700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022171400000000, 0.0317099200000000, -0.0018617300000000 ] - [ 0.0000414100000000, 0.0004287600000000, -0.0000103200000000 ] - [ 0.0001390900000000, 0.0042394600000000, 0.0006113500000000 ] - [ 0.0000021800000000, 0.0002176000000000, -0.0000192800000000 ] - [ 0.0002785600000000, -0.0003280900000000, -0.0004035000000000 ] - [ 0.0001675000000000, -0.0001510700000000, 0.0000700400000000 ] - [ 0.0000256100000000, -0.0008637300000000, 0.0000175800000000 ] - [ 0.0000446100000000, -0.0004280200000000, -0.0000163800000000 ] - [ 0.0000751900000000, -0.0009140400000000, 0.0000590300000000 ] - [ 0.0001384400000000, -0.0001386800000000, 0.0001973300000000 ] - [ 0.0001487400000000, -0.0010438500000000, -0.0001854900000000 ] - [ -0.0000075100000000, -0.0002112900000000, -0.0000134300000000 ] - [ -0.0000942700000000, 0.0000500200000000, 0.0001314000000000 ] - [ 0.0003427500000000, 0.0000706500000000, -0.0001451400000000 ] - [ -0.0006935300000000, -0.0038256000000000, 0.0021713900000000 ] - [ 0.0001813400000000, 0.0001316100000000, 0.0000831900000000 ] - [ 0.0001327000000000, 0.0032215100000000, 0.0003781100000000 ] - [ 0.0005395300000000, 0.0004842700000000, 0.0002530400000000 ] - [ 0.0000072300000000, 0.0005960400000000, 0.0002698400000000 ] - [ 0.0000954900000000, 0.0001132500000000, 0.0002932400000000 ] - [ 0.0002819800000000, 0.0008991600000000, 0.0040431100000000 ] - [ 0.0001261800000000, 0.0001118300000000, 0.0001972300000000 ] - [ -0.0011884200000000, 0.0001251200000000, -0.0002933800000000 ] - [ -0.0000880600000000, 0.0003561400000000, -0.0003600200000000 ] - [ -0.0030686800000000, -0.0046767000000000, -0.0040662500000000 ] - [ 0.0003058400000000, -0.0000520400000000, -0.0001616800000000 ] - [ 0.0005485100000000, 0.0002917600000000, 0.0002882500000000 ] - [ 0.0000349700000000, 0.0002576600000000, 0.0002014200000000 ] - [ 0.0005116600000000, -0.0006890400000000, 0.0001475800000000 ] - [ 0.0006128300000000, -0.0004121100000000, 0.0002731800000000 ] - [ -0.0002049000000000, -0.0003565400000000, -0.0003121900000000 ] - [ -0.0000445200000000, -0.0004236600000000, -0.0003694100000000 ] - [ 0.0000079700000000, -0.0010494100000000, 0.0002698000000000 ] - [ 0.0001346300000000, -0.0000759000000000, 0.0003159400000000 ] - [ -0.0005029100000000, -0.0000086300000000, -0.0002467500000000 ] - [ -0.0005479900000000, -0.0000779400000000, -0.0002422400000000 ] - [ -0.0006160100000000, -0.0003116700000000, -0.0007337100000000 ] - [ -0.0002303400000000, -0.0002811200000000, -0.0002870100000000 ] - [ 0.0000742600000000, -0.0000108500000000, 0.0002193600000000 ] - [ -0.0009141900000000, -0.0003279300000000, 0.0003050100000000 ] - [ 0.0007578700000000, -0.0008375800000000, 0.0007990100000000 ] - [ 0.0001911600000000, -0.0003753200000000, 0.0003608300000000 ] - [ -0.0001562800000000, 0.0001413000000000, -0.0002062300000000 ] - [ 0.0011220900000000, 0.0022653400000000, 0.0001238600000000 ] - [ -0.0001100300000000, 0.0002338500000000, -0.0003138200000000 ] - [ -0.0001814600000000, 0.0005433700000000, -0.0003955200000000 ] - [ -0.0001506500000000, 0.0004660900000000, 0.0000184100000000 ] - [ -0.0006809700000000, -0.0000661100000000, -0.0002244400000000 ] - [ -0.0002602700000000, -0.0001410600000000, -0.0000755000000000 ] - [ 0.0031932100000000, -0.0027269600000000, -0.0007435900000000 ] - [ -0.0001168200000000, -0.0000960800000000, 0.0002592000000000 ] - [ -0.0003770500000000, -0.0001644500000000, -0.0000133500000000 ] - [ 0.0000221100000000, 0.0000279200000000, 0.0000236800000000 ] - [ -0.0000123600000000, -0.0009988700000000, 0.0000630100000000 ] - [ -0.0001958100000000, -0.0001470200000000, -0.0002704300000000 ] - [ -0.0001134900000000, -0.0002465700000000, -0.0001806200000000 ] - [ -0.0000399500000000, 0.0002456900000000, 0.0000174300000000 ] - [ -0.0000806800000000, -0.0003977700000000, 0.0000241800000000 ] - [ -0.0002077300000000, 0.0001620800000000, -0.0001037300000000 ] - [ -0.0000564300000000, 0.0002606400000000, 0.0004186800000000 ] - [ 0.0000594100000000, -0.0000282800000000, 0.0000535800000000 ] - [ 0.0001028100000000, 0.0003901600000000, 0.0000383700000000 ] - [ 0.0000330400000000, -0.0002096600000000, 0.0000294900000000 ] - [ -0.0020797200000000, 0.0018135500000000, 0.0014537100000000 ] - [ -0.0006080100000000, -0.0061630400000000, 0.0029731400000000 ] - [ 0.0002011600000000, -0.0005533500000000, -0.0001618600000000 ] - [ 0.0010644700000000, -0.0002279000000000, -0.0020230000000000 ] - [ 0.0001504600000000, 0.0006038800000000, -0.0001706400000000 ] - [ 0.0057740600000000, -0.0060937800000000, -0.0018282400000000 ] - [ 0.0001245500000000, -0.0005997200000000, 0.0001790300000000 ] - [ 0.0004033300000000, 0.0001663800000000, 0.0004590600000000 ] - [ 0.0001678100000000, 0.0005388500000000, 0.0001346900000000 ] - [ -0.0003702800000000, -0.0007169000000000, -0.0001589200000000 ] - [ 0.0019426500000000, -0.0012646600000000, 0.0006726900000000 ] - [ -0.0005956200000000, 0.0011457300000000, -0.0004078100000000 ] - [ 0.0005331200000000, 0.0009124400000000, -0.0001268500000000 ] - [ -0.0001514000000000, -0.0004471700000000, 0.0001492500000000 ] - [ -0.0032584400000000, -0.0044513700000000, -0.0040926600000000 ] - [ -0.0000800200000000, 0.0003252900000000, 0.0002062900000000 ] - [ -0.0006726300000000, 0.0001094700000000, 0.0002674500000000 ] - [ -0.0000054100000000, 0.0034105000000000, -0.0002993700000000 ] - [ 0.0000560900000000, 0.0004193400000000, -0.0002328700000000 ] - [ -0.0006749800000000, 0.0034140500000000, 0.0014210900000000 ] - [ -0.0002713700000000, 0.0002302700000000, -0.0003193400000000 ] - [ 0.0001906500000000, 0.0015042800000000, -0.0006932900000000 ] - [ -0.0002296800000000, 0.0001086800000000, 0.0003231100000000 ] - [ -0.0000847800000000, -0.0010437100000000, 0.0004147500000000 ] - [ 0.0000484200000000, -0.0004593100000000, -0.0002222400000000 ] - [ -0.0005684300000000, -0.0052052100000000, 0.0008235300000000 ] - [ 0.0004373100000000, -0.0002319500000000, 0.0000578100000000 ] - [ -0.0000610100000000, 0.0001912400000000, -0.0007998000000000 ] - [ -0.0003208200000000, -0.0001859100000000, -0.0003335800000000 ] - [ 0.0004699400000000, -0.0048386000000000, -0.0019653600000000 ] - [ -0.0001910900000000, -0.0001370100000000, 0.0003071700000000 ] - [ -0.0021416100000000, -0.0003302300000000, 0.0023875100000000 ] - [ -0.0000997800000000, 0.0000472800000000, 0.0004707200000000 ] - [ 0.0003686600000000, 0.0008536000000000, 0.0008443800000000 ] - [ 0.0004612400000000, 0.0001923400000000, 0.0000408500000000 ] - [ -0.0004037800000000, 0.0013522100000000, 0.0002526500000000 ] - [ 0.0006876000000000, 0.0001438200000000, 0.0003272200000000 ] - [ -0.0001596700000000, 0.0007299600000000, -0.0002676300000000 ] - [ -0.0000917800000000, 0.0003038200000000, -0.0001854800000000 ] - [ -0.0003995300000000, 0.0007761500000000, 0.0001687000000000 ] - [ -0.0002101900000000, -0.0000258200000000, 0.0004619400000000 ] - [ 0.0002570600000000, 0.0002208000000000, -0.0001145300000000 ] - [ 0.0006157600000000, -0.0000314600000000, 0.0003924100000000 ] - [ 0.0003411300000000, -0.0003965600000000, 0.0003102400000000 ] - [ -0.0003900000000000, -0.0006562400000000, 0.0003021800000000 ] - [ 0.0043384300000000, -0.0088121300000000, 0.0014260400000000 ] - [ -0.0000679300000000, -0.0002366000000000, -0.0002279400000000 ] - [ -0.0001416700000000, -0.0001815900000000, -0.0002729100000000 ] - [ -0.0010870200000000, -0.0004631100000000, -0.0005339700000000 ] - [ 0.0004779500000000, 0.0004570100000000, -0.0005482100000000 ] - [ -0.0006219500000000, 0.0009712700000000, -0.0005992600000000 ] - [ 0.0001803900000000, 0.0000423900000000, 0.0002662700000000 ] - [ -0.0003287700000000, 0.0004713100000000, -0.0003698900000000 ] - [ 0.0005608200000000, 0.0002182700000000, 0.0000951000000000 ] - [ -0.0006930900000000, 0.0001003800000000, -0.0003208600000000 ] - [ -0.0007036000000000, -0.0000724700000000, -0.0000989600000000 ] - [ 0.0002745500000000, 0.0010540100000000, 0.0005277200000000 ] - [ 0.0003538900000000, -0.0006994100000000, -0.0004086600000000 ] - [ -0.0000069700000000, -0.0006157500000000, -0.0004087500000000 ] - [ 0.0001186000000000, -0.0001070600000000, -0.0003360300000000 ] - [ -0.0024205000000000, -0.0062766100000000, -0.0013552500000000 ] - [ 0.0003690500000000, 0.0001860900000000, 0.0003499100000000 ] - [ -0.0021798300000000, 0.0022005500000000, -0.0023816100000000 ] - [ -0.0008669400000000, 0.0002105800000000, -0.0002302100000000 ] - [ -0.0001940900000000, 0.0001946900000000, -0.0002503500000000 ] - [ -0.0000973900000000, 0.0002252600000000, 0.0002479200000000 ] - [ 0.0001634400000000, -0.0002098500000000, 0.0025466400000000 ] - [ 0.0001748400000000, 0.0001719100000000, -0.0003741700000000 ] - [ 0.0003419700000000, 0.0005454100000000, -0.0003887500000000 ] - [ 0.0004921200000000, -0.0002743400000000, 0.0004279700000000 ] - [ -0.0005696600000000, 0.0000392300000000, 0.0007106800000000 ] - [ -0.0001139200000000, -0.0001304000000000, 0.0002422100000000 ] - [ 0.0003151700000000, 0.0005893500000000, 0.0000961800000000 ]- atom: 1 displacement: [ -0.0030577532044204, 0.0000000000000000, 0.0095210369887348 ] forces: - [ 0.0163620300000000, 0.0030292700000000, -0.0392345900000000 ] - [ -0.0000187800000000, 0.0003437600000000, -0.0000302600000000 ] - [ -0.0033590400000000, -0.0010146500000000, 0.0155812700000000 ] - [ -0.0000161200000000, 0.0001363100000000, -0.0000210300000000 ] - [ -0.0000164900000000, 0.0003080100000000, 0.0007931800000000 ] - [ 0.0001802200000000, -0.0001476800000000, 0.0000756100000000 ] - [ -0.0000266000000000, -0.0003128600000000, 0.0002223900000000 ] - [ 0.0000557900000000, -0.0003505100000000, -0.0000131700000000 ] - [ 0.0000880900000000, 0.0001236500000000, 0.0002996400000000 ] - [ 0.0001448200000000, -0.0000439600000000, 0.0001886200000000 ] - [ -0.0000064500000000, 0.0001577200000000, -0.0000873000000000 ] - [ -0.0000202800000000, -0.0001296400000000, -0.0000245600000000 ] - [ -0.0000770300000000, -0.0002227900000000, 0.0003687500000000 ] - [ 0.0002938000000000, 0.0000542800000000, -0.0001896600000000 ] - [ 0.0002721600000000, -0.0014121300000000, -0.0003462300000000 ] - [ 0.0001293500000000, 0.0001473000000000, 0.0000609200000000 ] - [ -0.0039730900000000, 0.0000741800000000, -0.0009390600000000 ] - [ 0.0004866700000000, 0.0002394200000000, 0.0000995200000000 ] - [ -0.0003725600000000, -0.0000406100000000, 0.0014665500000000 ] - [ 0.0001954500000000, -0.0000222600000000, 0.0003209400000000 ] - [ 0.0017804000000000, -0.0044022300000000, 0.0074763800000000 ] - [ 0.0000998700000000, 0.0000283200000000, 0.0002318000000000 ] - [ -0.0006049800000000, 0.0000349300000000, -0.0005541300000000 ] - [ -0.0003682000000000, 0.0004037700000000, -0.0005584000000000 ] - [ 0.0022914500000000, 0.0024572900000000, -0.0008531000000000 ] - [ 0.0001607100000000, -0.0000494400000000, -0.0001739100000000 ] - [ 0.0000622200000000, 0.0004894800000000, 0.0006437800000000 ] - [ 0.0004319500000000, 0.0003546200000000, 0.0003128700000000 ] - [ 0.0006337600000000, -0.0001979100000000, 0.0003414300000000 ] - [ 0.0005579000000000, -0.0002705700000000, 0.0002996300000000 ] - [ -0.0001554200000000, -0.0000296600000000, -0.0003997900000000 ] - [ -0.0001687600000000, 0.0000438600000000, -0.0004207900000000 ] - [ 0.0002061500000000, 0.0000892700000000, 0.0000773900000000 ] - [ 0.0000876600000000, 0.0000357400000000, 0.0003003900000000 ] - [ -0.0006120000000000, 0.0003027000000000, -0.0001537800000000 ] - [ -0.0005002500000000, 0.0002793900000000, -0.0002576900000000 ] - [ -0.0000638400000000, -0.0001841700000000, 0.0000224000000000 ] - [ -0.0003201900000000, -0.0003646400000000, -0.0002284800000000 ] - [ -0.0003556900000000, 0.0001224500000000, 0.0000547000000000 ] - [ -0.0003830900000000, -0.0001683500000000, -0.0000764300000000 ] - [ 0.0005326900000000, -0.0004921700000000, 0.0002083600000000 ] - [ 0.0002183700000000, -0.0003845400000000, 0.0004030200000000 ] - [ -0.0003814900000000, -0.0000744100000000, -0.0001869400000000 ] - [ 0.0014005700000000, -0.0000506400000000, -0.0018145500000000 ] - [ -0.0001091100000000, 0.0000233800000000, -0.0001091100000000 ] - [ 0.0002231600000000, -0.0000858600000000, 0.0000796100000000 ] - [ 0.0001523800000000, -0.0004057400000000, -0.0004343700000000 ] - [ -0.0009052500000000, -0.0003402300000000, -0.0001238800000000 ] - [ -0.0002224600000000, -0.0001617100000000, -0.0001070300000000 ] - [ -0.0008695600000000, 0.0014896100000000, -0.0014163700000000 ] - [ -0.0001817900000000, -0.0000888400000000, 0.0002497100000000 ] - [ -0.0002188200000000, 0.0000415000000000, 0.0004760200000000 ] - [ -0.0000271900000000, 0.0001427800000000, 0.0000119100000000 ] - [ 0.0001058100000000, 0.0001605100000000, -0.0002046100000000 ] - [ -0.0000873300000000, 0.0000659700000000, -0.0002039100000000 ] - [ -0.0002072900000000, 0.0001055700000000, -0.0000331800000000 ] - [ -0.0000481600000000, 0.0003498600000000, 0.0000450100000000 ] - [ -0.0000139800000000, 0.0003671300000000, 0.0001565600000000 ] - [ -0.0001477300000000, 0.0001601100000000, -0.0000279300000000 ] - [ -0.0001443700000000, -0.0001082200000000, 0.0006835800000000 ] - [ 0.0000493800000000, -0.0001464000000000, 0.0000248700000000 ] - [ -0.0002707800000000, -0.0001320200000000, 0.0011671500000000 ] - [ -0.0000613600000000, -0.0003388300000000, -0.0000545900000000 ] - [ -0.0060167300000000, -0.0023137100000000, 0.0021239600000000 ] - [ 0.0002054500000000, -0.0039184100000000, 0.0000359700000000 ] - [ 0.0001480800000000, -0.0004960400000000, -0.0001798500000000 ] - [ -0.0011799500000000, 0.0020959500000000, 0.0037446000000000 ] - [ 0.0002493000000000, 0.0005029000000000, -0.0001396800000000 ] - [ -0.0013085900000000, 0.0025126100000000, -0.0018566200000000 ] - [ 0.0001535400000000, -0.0006803700000000, 0.0000786200000000 ] - [ 0.0003017900000000, -0.0000421700000000, 0.0005739400000000 ] - [ 0.0002374200000000, 0.0007004400000000, 0.0002200700000000 ] - [ -0.0003495100000000, -0.0007763900000000, -0.0000582100000000 ] - [ 0.0009740800000000, -0.0011310600000000, 0.0000752900000000 ] - [ 0.0000292700000000, 0.0005465100000000, -0.0005520300000000 ] - [ -0.0009726000000000, 0.0008626800000000, 0.0003193100000000 ] - [ -0.0003278000000000, -0.0005158400000000, 0.0002209400000000 ] - [ 0.0022378500000000, 0.0018687600000000, -0.0004868100000000 ] - [ -0.0001844500000000, 0.0004769500000000, 0.0001023900000000 ] - [ -0.0005479600000000, 0.0000044900000000, 0.0003250800000000 ] - [ -0.0003803500000000, 0.0007297600000000, 0.0009528000000000 ] - [ 0.0001174800000000, 0.0003303200000000, -0.0002165600000000 ] - [ -0.0006150700000000, -0.0011503800000000, 0.0001281400000000 ] - [ -0.0001889700000000, 0.0002125800000000, -0.0002999800000000 ] - [ -0.0000231900000000, 0.0006309700000000, -0.0001432500000000 ] - [ -0.0002135300000000, 0.0000208600000000, 0.0003355100000000 ] - [ 0.0009180300000000, -0.0000004300000000, -0.0029293500000000 ] - [ 0.0000022400000000, -0.0003330700000000, -0.0002687500000000 ] - [ -0.0019870100000000, -0.0025289200000000, 0.0039680500000000 ] - [ 0.0005867500000000, -0.0001956300000000, 0.0001298900000000 ] - [ 0.0000755800000000, 0.0006566100000000, -0.0009480200000000 ] - [ -0.0003057000000000, -0.0002102600000000, -0.0003302400000000 ] - [ -0.0036467900000000, 0.0038071700000000, 0.0103490900000000 ] - [ -0.0001671600000000, -0.0000075600000000, 0.0003354700000000 ] - [ 0.0019931400000000, -0.0020085100000000, -0.0002473500000000 ] - [ -0.0002404000000000, 0.0002118700000000, 0.0005596200000000 ] - [ 0.0004242700000000, -0.0007732700000000, -0.0011177700000000 ] - [ 0.0005049300000000, 0.0001631400000000, 0.0000363200000000 ] - [ 0.0006226600000000, -0.0003535500000000, 0.0008589800000000 ] - [ 0.0004944400000000, 0.0000231000000000, 0.0003741600000000 ] - [ 0.0000233800000000, 0.0002199900000000, -0.0007471200000000 ] - [ -0.0001548600000000, 0.0001304100000000, -0.0002432100000000 ] - [ -0.0004287500000000, 0.0000404200000000, 0.0005141900000000 ] - [ -0.0001796000000000, -0.0001814100000000, 0.0003952300000000 ] - [ -0.0000017900000000, 0.0008243400000000, -0.0008974100000000 ] - [ 0.0003784500000000, -0.0000369800000000, 0.0001784200000000 ] - [ 0.0003280500000000, 0.0003361900000000, 0.0008570800000000 ] - [ 0.0012444300000000, -0.0004047100000000, 0.0004496000000000 ] - [ -0.0005925200000000, -0.0005364300000000, 0.0028996000000000 ] - [ 0.0000085000000000, -0.0000856800000000, -0.0001432300000000 ] - [ -0.0001812800000000, 0.0001560100000000, -0.0005607400000000 ] - [ -0.0008801800000000, 0.0000063900000000, -0.0002977500000000 ] - [ 0.0004018500000000, 0.0002589000000000, -0.0005342500000000 ] - [ -0.0001135900000000, 0.0003029600000000, 0.0000435700000000 ] - [ 0.0000879300000000, -0.0001052200000000, 0.0000041700000000 ] - [ -0.0001128600000000, 0.0000562500000000, -0.0001113200000000 ] - [ -0.0008728400000000, -0.0000614700000000, -0.0000946600000000 ] - [ -0.0001518000000000, -0.0002588500000000, -0.0003501000000000 ] - [ -0.0003700900000000, -0.0001964400000000, -0.0001096900000000 ] - [ -0.0009668900000000, -0.0003896300000000, 0.0002738200000000 ] - [ -0.0001282100000000, -0.0002336300000000, -0.0004227900000000 ] - [ 0.0005212100000000, -0.0000564600000000, -0.0010807100000000 ] - [ 0.0003560600000000, -0.0000030400000000, -0.0003223300000000 ] - [ -0.0005826300000000, 0.0003798900000000, 0.0025415000000000 ] - [ 0.0003868000000000, 0.0002375000000000, 0.0003122200000000 ] - [ -0.0014493000000000, 0.0021488500000000, -0.0000352900000000 ] - [ -0.0006083900000000, 0.0002330400000000, -0.0000068000000000 ] - [ 0.0000265900000000, 0.0008031400000000, -0.0006041200000000 ] - [ -0.0000395000000000, 0.0003513600000000, 0.0001548400000000 ] - [ -0.0015495200000000, -0.0013406200000000, -0.0011850300000000 ] - [ 0.0001643000000000, -0.0000103800000000, -0.0003158100000000 ] - [ 0.0004087800000000, 0.0000440600000000, -0.0008074800000000 ] - [ 0.0001959900000000, -0.0001911800000000, 0.0003905700000000 ] - [ 0.0012743000000000, -0.0008525000000000, -0.0003733200000000 ] - [ -0.0000289700000000, -0.0003340000000000, 0.0003192000000000 ] - [ 0.0000791100000000, -0.0001616900000000, 0.0003703200000000 ]- atom: 1 displacement: [ 0.0030577532044204, 0.0000000000000000, -0.0095210369887348 ] forces: - [ -0.0163308100000000, -0.0018353600000000, 0.0394853900000000 ] - [ 0.0001036900000000, 0.0003587300000000, -0.0000054300000000 ] - [ 0.0032617100000000, 0.0012631600000000, -0.0152185100000000 ] - [ 0.0000037100000000, 0.0001373000000000, -0.0000169300000000 ] - [ 0.0003478200000000, -0.0005952700000000, -0.0006484500000000 ] - [ 0.0001501500000000, -0.0001422400000000, 0.0000704000000000 ] - [ 0.0001115700000000, -0.0003903300000000, -0.0002585900000000 ] - [ 0.0000290000000000, -0.0003521300000000, -0.0000225700000000 ] - [ 0.0001844200000000, -0.0002045800000000, 0.0001110100000000 ] - [ 0.0001270400000000, -0.0000362700000000, 0.0002236300000000 ] - [ -0.0000057300000000, -0.0004337500000000, 0.0000498500000000 ] - [ 0.0000083900000000, -0.0001440700000000, -0.0000133700000000 ] - [ 0.0005780900000000, 0.0003403700000000, -0.0007243300000000 ] - [ 0.0002091100000000, 0.0000662300000000, -0.0001650300000000 ] - [ 0.0000525400000000, 0.0016905000000000, 0.0005091200000000 ] - [ 0.0002015700000000, 0.0001427100000000, 0.0000850400000000 ] - [ 0.0050876800000000, 0.0004818800000000, 0.0013995000000000 ] - [ 0.0006380500000000, 0.0003124900000000, 0.0003880000000000 ] - [ 0.0006262600000000, -0.0000069500000000, -0.0008357900000000 ] - [ 0.0000617500000000, -0.0000263900000000, 0.0003111100000000 ] - [ -0.0015421300000000, 0.0045487000000000, -0.0071620100000000 ] - [ 0.0001725700000000, 0.0000518900000000, 0.0001804800000000 ] - [ -0.0000305800000000, 0.0006536900000000, -0.0001821100000000 ] - [ -0.0002665300000000, 0.0002848500000000, -0.0001758500000000 ] - [ -0.0017971900000000, -0.0025793600000000, 0.0005120300000000 ] - [ 0.0003427900000000, -0.0000709700000000, -0.0001806900000000 ] - [ 0.0005721900000000, 0.0001998900000000, 0.0000898600000000 ] - [ 0.0002017100000000, 0.0003332600000000, 0.0004206100000000 ] - [ 0.0004913800000000, -0.0003536800000000, 0.0001451500000000 ] - [ 0.0005680200000000, -0.0002804800000000, 0.0001865100000000 ] - [ -0.0001014000000000, -0.0000199600000000, -0.0002326800000000 ] - [ -0.0000884400000000, -0.0000940100000000, -0.0002110900000000 ] - [ 0.0000504900000000, -0.0000432500000000, 0.0005558400000000 ] - [ 0.0001696200000000, 0.0000129200000000, 0.0003324400000000 ] - [ -0.0005136800000000, 0.0002479200000000, -0.0003332900000000 ] - [ -0.0006255600000000, 0.0002705100000000, -0.0002289100000000 ] - [ -0.0005732600000000, -0.0005058000000000, -0.0007591500000000 ] - [ -0.0003139500000000, -0.0003241400000000, -0.0005072200000000 ] - [ -0.0001453300000000, -0.0000024100000000, 0.0002993500000000 ] - [ -0.0001231800000000, 0.0002873600000000, 0.0004345500000000 ] - [ 0.0001031400000000, -0.0001988300000000, 0.0005317600000000 ] - [ 0.0004165400000000, -0.0003038500000000, 0.0003330400000000 ] - [ 0.0001095200000000, -0.0000053500000000, -0.0002258300000000 ] - [ -0.0016979500000000, -0.0000161600000000, 0.0013866300000000 ] - [ -0.0001493600000000, 0.0000254300000000, -0.0005236800000000 ] - [ -0.0004775100000000, 0.0001350400000000, -0.0007134700000000 ] - [ -0.0012760200000000, -0.0001419800000000, -0.0000460600000000 ] - [ -0.0002182500000000, -0.0002095700000000, -0.0003618500000000 ] - [ -0.0001081500000000, -0.0001282600000000, -0.0000390100000000 ] - [ 0.0005379900000000, -0.0017816800000000, 0.0012811100000000 ] - [ -0.0003221000000000, -0.0000309500000000, 0.0001059200000000 ] - [ -0.0002832500000000, -0.0001612000000000, -0.0001220600000000 ] - [ 0.0000393500000000, 0.0001304700000000, 0.0000261300000000 ] - [ -0.0000939500000000, 0.0001095200000000, 0.0002431400000000 ] - [ -0.0001850100000000, 0.0000135000000000, -0.0002079800000000 ] - [ -0.0000643400000000, -0.0000265400000000, -0.0003790900000000 ] - [ -0.0000368100000000, 0.0003522700000000, -0.0000091700000000 ] - [ -0.0000706800000000, 0.0003341200000000, -0.0001217400000000 ] - [ -0.0001834100000000, 0.0001299800000000, -0.0001179400000000 ] - [ -0.0001840400000000, 0.0003952800000000, -0.0008285900000000 ] - [ -0.0000374400000000, -0.0001269200000000, 0.0000137100000000 ] - [ 0.0002862300000000, -0.0001391600000000, -0.0011286000000000 ] - [ -0.0000227000000000, -0.0003629900000000, 0.0000905800000000 ] - [ 0.0060012400000000, 0.0016405300000000, -0.0020957400000000 ] - [ 0.0002506900000000, 0.0028890300000000, -0.0003338200000000 ] - [ 0.0003107400000000, -0.0005210200000000, -0.0001139900000000 ] - [ 0.0016484800000000, -0.0011012400000000, -0.0040630500000000 ] - [ 0.0002095200000000, 0.0005142600000000, -0.0001548100000000 ] - [ 0.0017317700000000, -0.0038317000000000, 0.0021430300000000 ] - [ 0.0002514700000000, -0.0006315700000000, 0.0002477500000000 ] - [ 0.0001025700000000, 0.0013609000000000, -0.0002465000000000 ] - [ 0.0001691400000000, 0.0006119500000000, 0.0001050500000000 ] - [ -0.0000572300000000, -0.0005364200000000, -0.0002681200000000 ] - [ -0.0013774400000000, -0.0001798900000000, -0.0003994500000000 ] - [ -0.0004357300000000, 0.0007666200000000, 0.0002279300000000 ] - [ 0.0005702300000000, 0.0004471700000000, -0.0006457100000000 ] - [ -0.0001307800000000, -0.0005004600000000, 0.0000723000000000 ] - [ -0.0026875000000000, -0.0028897800000000, 0.0007437100000000 ] - [ -0.0002735000000000, 0.0005391300000000, 0.0001919300000000 ] - [ 0.0000906700000000, 0.0010161400000000, -0.0000279500000000 ] - [ 0.0004825800000000, -0.0000541300000000, -0.0014478500000000 ] - [ -0.0000162800000000, 0.0003434600000000, -0.0002762200000000 ] - [ 0.0000695800000000, 0.0015770700000000, -0.0007547000000000 ] - [ -0.0003510400000000, 0.0002073600000000, -0.0003405700000000 ] - [ -0.0004065900000000, -0.0005816500000000, 0.0007980300000000 ] - [ -0.0002171000000000, 0.0000262500000000, 0.0003163500000000 ] - [ -0.0008156600000000, -0.0006663100000000, 0.0024316200000000 ] - [ 0.0000991100000000, -0.0003411400000000, -0.0002231500000000 ] - [ 0.0029194400000000, 0.0020452200000000, -0.0037788300000000 ] - [ 0.0004253600000000, -0.0001411300000000, 0.0000063000000000 ] - [ -0.0006180300000000, -0.0010848800000000, 0.0003073800000000 ] - [ -0.0002357500000000, -0.0002095500000000, -0.0003107500000000 ] - [ 0.0034218200000000, -0.0041703200000000, -0.0102767600000000 ] - [ -0.0002643300000000, -0.0000394500000000, 0.0003164500000000 ] - [ -0.0024327600000000, 0.0023390100000000, 0.0011824400000000 ] - [ -0.0002084400000000, 0.0001363000000000, 0.0003637600000000 ] - [ 0.0005886200000000, 0.0011132100000000, 0.0012558400000000 ] - [ 0.0005068800000000, 0.0001733300000000, 0.0001000900000000 ] - [ 0.0002913100000000, 0.0003744200000000, -0.0002699000000000 ] - [ 0.0004262800000000, -0.0000075600000000, 0.0002089200000000 ] - [ -0.0002399200000000, 0.0000517600000000, 0.0003238700000000 ] - [ -0.0000616500000000, 0.0001434000000000, -0.0001802900000000 ] - [ -0.0000198700000000, -0.0003879400000000, 0.0004048400000000 ] - [ -0.0002713400000000, -0.0001663200000000, 0.0005288900000000 ] - [ 0.0009266700000000, -0.0008477800000000, 0.0014860800000000 ] - [ 0.0005395400000000, 0.0000217900000000, 0.0004053800000000 ] - [ -0.0001127800000000, -0.0000641600000000, -0.0004325300000000 ] - [ -0.0010339500000000, 0.0006809900000000, -0.0000293200000000 ] - [ 0.0003806400000000, 0.0002419400000000, -0.0033239800000000 ] - [ -0.0002251600000000, -0.0001883700000000, -0.0002820900000000 ] - [ -0.0007367900000000, -0.0001414000000000, -0.0000211700000000 ] - [ -0.0000388700000000, 0.0000046800000000, -0.0002820200000000 ] - [ 0.0000485500000000, 0.0000896300000000, -0.0003888700000000 ] - [ 0.0005623800000000, 0.0000470600000000, -0.0009682600000000 ] - [ 0.0001292700000000, -0.0001677300000000, 0.0004208300000000 ] - [ 0.0003284000000000, -0.0003292000000000, 0.0005362000000000 ] - [ -0.0000445600000000, 0.0000475100000000, -0.0004890800000000 ] - [ -0.0007684200000000, 0.0002456400000000, -0.0002336300000000 ] - [ -0.0006429400000000, -0.0001414200000000, -0.0000260900000000 ] - [ -0.0000440500000000, 0.0000590200000000, -0.0004018800000000 ] - [ 0.0005802300000000, -0.0001163600000000, -0.0005026000000000 ] - [ -0.0000735600000000, -0.0002912200000000, 0.0001570600000000 ] - [ 0.0000744200000000, 0.0000498000000000, -0.0003286700000000 ] - [ 0.0010247500000000, -0.0003444200000000, -0.0032024700000000 ] - [ 0.0001545100000000, 0.0001825000000000, 0.0003289600000000 ] - [ 0.0019817800000000, -0.0017278200000000, 0.0006808500000000 ] - [ -0.0004057000000000, 0.0001036900000000, -0.0001309700000000 ] - [ -0.0010425500000000, -0.0004715700000000, 0.0004668800000000 ] - [ -0.0000611800000000, 0.0003208800000000, 0.0003394300000000 ] - [ 0.0014327300000000, 0.0019985100000000, 0.0016809100000000 ] - [ 0.0002663200000000, -0.0000364600000000, -0.0003361100000000 ] - [ 0.0000209100000000, -0.0000924300000000, 0.0001564400000000 ] - [ 0.0003450100000000, -0.0002285100000000, 0.0002501000000000 ] - [ -0.0007352000000000, 0.0004343700000000, 0.0010148800000000 ] - [ -0.0000730300000000, -0.0003387300000000, 0.0001736900000000 ] - [ -0.0001792600000000, -0.0005096400000000, 0.0001189200000000 ]- atom: 3 displacement: [ 0.0099997439015081, 0.0000000000000000, 0.0000715674804079 ] forces: - [ -0.0027523300000000, 0.0002058500000000, -0.0042541800000000 ] - [ 0.0003044400000000, 0.0003428900000000, 0.0000557800000000 ] - [ -0.0289142300000000, -0.0101037300000000, -0.0042705200000000 ] - [ 0.0002869300000000, 0.0001463200000000, 0.0000437400000000 ] - [ -0.0013696200000000, -0.0006119100000000, -0.0002814900000000 ] - [ 0.0004287400000000, -0.0001382100000000, 0.0001273100000000 ] - [ -0.0003371000000000, -0.0001978000000000, -0.0001411200000000 ] - [ 0.0002571000000000, -0.0003527600000000, 0.0000360000000000 ] - [ -0.0001770600000000, -0.0001201200000000, 0.0001854400000000 ] - [ 0.0003477800000000, -0.0000111900000000, 0.0002474800000000 ] - [ -0.0002830600000000, -0.0000710200000000, -0.0001838500000000 ] - [ 0.0001923500000000, -0.0001384800000000, 0.0000731900000000 ] - [ 0.0016306000000000, 0.0034177600000000, -0.0012710600000000 ] - [ 0.0006092500000000, -0.0000043900000000, -0.0001038100000000 ] - [ -0.0002871700000000, 0.0002534600000000, -0.0002699000000000 ] - [ 0.0003884600000000, 0.0001354700000000, 0.0001784100000000 ] - [ 0.0036714500000000, 0.0003316900000000, 0.0047664900000000 ] - [ 0.0009145000000000, 0.0003146100000000, 0.0002505100000000 ] - [ 0.0066713100000000, -0.0026539800000000, -0.0044564400000000 ] - [ 0.0005689700000000, -0.0000115100000000, 0.0004121400000000 ] - [ -0.0001396800000000, 0.0000268200000000, -0.0003873200000000 ] - [ 0.0003873100000000, 0.0000034300000000, 0.0003560100000000 ] - [ -0.0000011100000000, 0.0008864400000000, 0.0000487200000000 ] - [ -0.0000352300000000, 0.0002606700000000, -0.0004430500000000 ] - [ -0.0000528600000000, -0.0000075400000000, -0.0000918100000000 ] - [ 0.0004959800000000, -0.0000803000000000, -0.0000683100000000 ] - [ 0.0008163300000000, -0.0002614800000000, 0.0003453300000000 ] - [ 0.0006760400000000, 0.0004923300000000, 0.0004058900000000 ] - [ 0.0005291100000000, -0.0001752500000000, 0.0001498300000000 ] - [ 0.0007313300000000, -0.0003450700000000, 0.0003615000000000 ] - [ -0.0000376600000000, 0.0000530400000000, -0.0002264600000000 ] - [ -0.0001280100000000, -0.0000518100000000, -0.0004066100000000 ] - [ -0.0000364800000000, 0.0000597500000000, 0.0002647700000000 ] - [ 0.0002860200000000, 0.0000423400000000, 0.0003760800000000 ] - [ -0.0004989900000000, 0.0002954700000000, -0.0002272300000000 ] - [ -0.0004390900000000, 0.0002269000000000, -0.0002155200000000 ] - [ -0.0001307500000000, -0.0002152100000000, -0.0006210200000000 ] - [ 0.0000455200000000, -0.0005778600000000, -0.0000877600000000 ] - [ -0.0000334500000000, -0.0000561900000000, 0.0003361600000000 ] - [ -0.0000765100000000, 0.0002269200000000, 0.0000370200000000 ] - [ 0.0003518100000000, -0.0004462000000000, 0.0003736000000000 ] - [ 0.0004429600000000, -0.0002806800000000, 0.0004525400000000 ] - [ 0.0003847900000000, -0.0001098500000000, -0.0000182200000000 ] - [ 0.0021954200000000, -0.0004760300000000, -0.0017696200000000 ] - [ 0.0003904100000000, -0.0000574600000000, -0.0003901100000000 ] - [ 0.0029565000000000, 0.0001583000000000, 0.0016742600000000 ] - [ -0.0004419600000000, -0.0003651000000000, 0.0000320500000000 ] - [ -0.0003815400000000, -0.0001387000000000, -0.0000187100000000 ] - [ 0.0001055100000000, -0.0001030900000000, 0.0000508400000000 ] - [ -0.0004106200000000, -0.0002979800000000, -0.0006296600000000 ] - [ -0.0000332800000000, -0.0001429100000000, 0.0001771700000000 ] - [ -0.0001075300000000, 0.0004585200000000, 0.0005522500000000 ] - [ 0.0001941100000000, 0.0001412900000000, 0.0000973500000000 ] - [ -0.0002292300000000, 0.0001755500000000, -0.0001488200000000 ] - [ 0.0000031300000000, 0.0001013300000000, -0.0001764400000000 ] - [ -0.0002801700000000, -0.0000918100000000, -0.0001291400000000 ] - [ 0.0001510600000000, 0.0003674400000000, 0.0000449900000000 ] - [ -0.0003425700000000, 0.0003318000000000, 0.0000247500000000 ] - [ 0.0001319900000000, 0.0001658700000000, -0.0000403600000000 ] - [ -0.0013160000000000, -0.0027470000000000, 0.0020946700000000 ] - [ 0.0002580300000000, -0.0001426100000000, 0.0000928700000000 ] - [ -0.0017998400000000, 0.0005945500000000, 0.0025897700000000 ] - [ 0.0002150100000000, -0.0004046200000000, 0.0001461900000000 ] - [ -0.0003009500000000, -0.0004497000000000, -0.0003504300000000 ] - [ -0.0040207300000000, -0.0008324900000000, -0.0013072100000000 ] - [ 0.0008337700000000, -0.0004763600000000, 0.0000113700000000 ] - [ -0.0002548900000000, 0.0011623500000000, -0.0017388200000000 ] - [ 0.0007262700000000, 0.0005039600000000, 0.0000975200000000 ] - [ -0.0014518300000000, -0.0031915700000000, 0.0016470700000000 ] - [ 0.0006680100000000, -0.0005525300000000, 0.0002480500000000 ] - [ -0.0006109300000000, 0.0002194100000000, -0.0002527800000000 ] - [ 0.0007345600000000, 0.0008275700000000, 0.0004037600000000 ] - [ 0.0006228100000000, 0.0000141400000000, 0.0001452900000000 ] - [ 0.0008988700000000, -0.0019321400000000, 0.0000732700000000 ] - [ 0.0000894700000000, 0.0009848100000000, 0.0002269400000000 ] - [ -0.0008835900000000, -0.0000859200000000, 0.0000486300000000 ] - [ 0.0002568500000000, -0.0005982000000000, 0.0002811400000000 ] - [ 0.0003736600000000, 0.0044239500000000, -0.0013823700000000 ] - [ 0.0002179000000000, 0.0005074800000000, 0.0003119500000000 ] - [ -0.0010395800000000, 0.0006404000000000, -0.0000912900000000 ] - [ 0.0011105300000000, 0.0001256300000000, 0.0000680700000000 ] - [ -0.0003139400000000, 0.0003112800000000, -0.0003905600000000 ] - [ 0.0021101500000000, -0.0001900100000000, 0.0003499100000000 ] - [ -0.0008542200000000, 0.0002147200000000, -0.0004870300000000 ] - [ 0.0014493300000000, -0.0004262800000000, 0.0005280700000000 ] - [ -0.0006404500000000, 0.0000202000000000, 0.0002839500000000 ] - [ 0.0033508300000000, -0.0001607900000000, 0.0003694200000000 ] - [ -0.0003905100000000, -0.0002970600000000, -0.0004483800000000 ] - [ 0.0043453100000000, 0.0011005500000000, 0.0014058700000000 ] - [ 0.0000047100000000, -0.0000690500000000, -0.0000380100000000 ] - [ 0.0006578900000000, -0.0000542800000000, 0.0001083400000000 ] - [ -0.0008384700000000, -0.0002362200000000, -0.0005318200000000 ] - [ 0.0002079500000000, 0.0001050200000000, 0.0013183600000000 ] - [ -0.0006020400000000, -0.0000149600000000, 0.0001548900000000 ] - [ 0.0034745000000000, 0.0002105100000000, 0.0007394900000000 ] - [ -0.0006704900000000, 0.0000732300000000, 0.0004568500000000 ] - [ 0.0007716000000000, -0.0001463300000000, 0.0007883100000000 ] - [ 0.0000599100000000, 0.0001297800000000, -0.0001381200000000 ] - [ 0.0006601100000000, 0.0006675000000000, -0.0000566100000000 ] - [ 0.0001100300000000, -0.0000012600000000, 0.0002251800000000 ] - [ 0.0002826400000000, 0.0003686500000000, -0.0000322000000000 ] - [ -0.0004755600000000, 0.0000660500000000, -0.0003258200000000 ] - [ 0.0001080800000000, -0.0000303700000000, 0.0007569700000000 ] - [ -0.0005002600000000, -0.0002254800000000, 0.0002843000000000 ] - [ 0.0002978200000000, 0.0010247700000000, 0.0010520800000000 ] - [ -0.0001067600000000, -0.0003389500000000, -0.0000122200000000 ] - [ -0.0005196700000000, -0.0001960800000000, -0.0004673800000000 ] - [ 0.0000384300000000, 0.0003831400000000, 0.0004496300000000 ] - [ 0.0010619700000000, 0.0004052400000000, -0.0011971800000000 ] - [ -0.0004632300000000, -0.0001868300000000, -0.0003235300000000 ] - [ -0.0018328500000000, -0.0007764200000000, -0.0004211200000000 ] - [ -0.0015376000000000, 0.0007818200000000, -0.0003750600000000 ] - [ -0.0001096800000000, -0.0001374200000000, -0.0006535100000000 ] - [ -0.0001454400000000, 0.0007234700000000, -0.0000523200000000 ] - [ -0.0002466700000000, -0.0004792300000000, 0.0003217600000000 ] - [ -0.0000373100000000, 0.0004665400000000, -0.0001657900000000 ] - [ -0.0005314300000000, -0.0001859200000000, -0.0004634300000000 ] - [ -0.0005074700000000, 0.0003012400000000, -0.0004072100000000 ] - [ -0.0009063800000000, -0.0001373000000000, -0.0001909400000000 ] - [ -0.0006380500000000, -0.0010177000000000, 0.0000005300000000 ] - [ -0.0000532900000000, -0.0002631100000000, -0.0005236400000000 ] - [ 0.0002704000000000, 0.0004412400000000, -0.0017058100000000 ] - [ -0.0002179700000000, 0.0001483500000000, -0.0004559300000000 ] - [ -0.0003738700000000, -0.0015506800000000, 0.0018372100000000 ] - [ -0.0005245100000000, 0.0000684400000000, 0.0000667100000000 ] - [ 0.0009511900000000, 0.0035352400000000, 0.0016170900000000 ] - [ -0.0008393800000000, 0.0003068700000000, -0.0001989300000000 ] - [ -0.0002806600000000, -0.0002891700000000, -0.0001899000000000 ] - [ -0.0004935500000000, 0.0004406200000000, 0.0001195500000000 ] - [ 0.0087760000000000, 0.0072648400000000, 0.0017903200000000 ] - [ -0.0001035500000000, -0.0000218400000000, -0.0003884400000000 ] - [ 0.0007839600000000, -0.0001657600000000, -0.0002812500000000 ] - [ -0.0002857500000000, -0.0002840900000000, 0.0000637800000000 ] - [ 0.0013623800000000, -0.0003787400000000, 0.0006901400000000 ] - [ -0.0003456700000000, -0.0003383800000000, 0.0000932100000000 ] - [ 0.0003341200000000, -0.0004773500000000, 0.0004774900000000 ]- atom: 3 displacement: [ -0.0099997439015081, 0.0000000000000000, -0.0000715674804079 ] forces: - [ 0.0027983000000000, 0.0004891200000000, 0.0042492000000000 ] - [ -0.0002194900000000, 0.0003594500000000, -0.0000916700000000 ] - [ 0.0289492500000000, 0.0099229000000000, 0.0041197700000000 ] - [ -0.0002987700000000, 0.0001272000000000, -0.0000817100000000 ] - [ 0.0017035500000000, 0.0003094100000000, 0.0004215800000000 ] - [ -0.0000977300000000, -0.0001514400000000, 0.0000188200000000 ] - [ 0.0004224100000000, -0.0005033000000000, 0.0001045400000000 ] - [ -0.0001721200000000, -0.0003498800000000, -0.0000716700000000 ] - [ 0.0004495400000000, 0.0000407500000000, 0.0002265800000000 ] - [ -0.0000757800000000, -0.0000686300000000, 0.0001646900000000 ] - [ 0.0002702800000000, -0.0002011800000000, 0.0001457800000000 ] - [ -0.0002041000000000, -0.0001352300000000, -0.0001110900000000 ] - [ -0.0011173300000000, -0.0033169500000000, 0.0009233700000000 ] - [ -0.0001054200000000, 0.0001241000000000, -0.0002508400000000 ] - [ 0.0006162800000000, 0.0000371800000000, 0.0004148800000000 ] - [ -0.0000573700000000, 0.0001547400000000, -0.0000324600000000 ] - [ -0.0025571700000000, 0.0002183700000000, -0.0043212500000000 ] - [ 0.0002127400000000, 0.0002362500000000, 0.0002353200000000 ] - [ -0.0065077900000000, 0.0026448600000000, 0.0051716700000000 ] - [ -0.0003090300000000, -0.0000372100000000, 0.0002207300000000 ] - [ 0.0004132800000000, 0.0000503900000000, 0.0008019700000000 ] - [ -0.0001147600000000, 0.0000767000000000, 0.0000569100000000 ] - [ -0.0006307600000000, -0.0002008100000000, -0.0007864500000000 ] - [ -0.0005995500000000, 0.0004267800000000, -0.0002931700000000 ] - [ 0.0005572900000000, -0.0001121500000000, -0.0002597900000000 ] - [ 0.0000069900000000, -0.0000403100000000, -0.0002863600000000 ] - [ -0.0001817100000000, 0.0009533600000000, 0.0003888300000000 ] - [ -0.0000401900000000, 0.0001980900000000, 0.0003293200000000 ] - [ 0.0005977200000000, -0.0003753900000000, 0.0003373400000000 ] - [ 0.0003938400000000, -0.0002058300000000, 0.0001247400000000 ] - [ -0.0002182400000000, -0.0001019100000000, -0.0004057800000000 ] - [ -0.0001301900000000, 0.0000032600000000, -0.0002262500000000 ] - [ 0.0002942200000000, -0.0000094300000000, 0.0003687800000000 ] - [ -0.0000289900000000, 0.0000066700000000, 0.0002564000000000 ] - [ -0.0006255600000000, 0.0002546600000000, -0.0002591800000000 ] - [ -0.0006874300000000, 0.0003244300000000, -0.0002712000000000 ] - [ -0.0005022700000000, -0.0004740400000000, -0.0001120600000000 ] - [ -0.0006801500000000, -0.0001133200000000, -0.0006459900000000 ] - [ -0.0004679100000000, 0.0001770000000000, 0.0000192000000000 ] - [ -0.0004258100000000, -0.0001051200000000, 0.0003165600000000 ] - [ 0.0002836400000000, -0.0002421300000000, 0.0003630200000000 ] - [ 0.0001912100000000, -0.0004076000000000, 0.0002827000000000 ] - [ -0.0006581800000000, 0.0000304400000000, -0.0003950600000000 ] - [ -0.0024444300000000, 0.0003880300000000, 0.0013374800000000 ] - [ -0.0006492000000000, 0.0001066800000000, -0.0002414800000000 ] - [ -0.0031824300000000, -0.0001089900000000, -0.0022793900000000 ] - [ -0.0006826000000000, -0.0001850100000000, -0.0005187800000000 ] - [ -0.0007448300000000, -0.0004110900000000, -0.0004671700000000 ] - [ -0.0004357600000000, -0.0001873200000000, -0.0001968900000000 ] - [ 0.0000764100000000, 0.0000065700000000, 0.0004828500000000 ] - [ -0.0004692900000000, 0.0000231100000000, 0.0001777900000000 ] - [ -0.0003961700000000, -0.0005738500000000, -0.0001951300000000 ] - [ -0.0001814700000000, 0.0001320500000000, -0.0000592100000000 ] - [ 0.0002398000000000, 0.0000998900000000, 0.0001867700000000 ] - [ -0.0002745700000000, -0.0000213000000000, -0.0002351600000000 ] - [ 0.0000067000000000, 0.0001722800000000, -0.0002840600000000 ] - [ -0.0002353400000000, 0.0003347000000000, -0.0000090600000000 ] - [ 0.0002561000000000, 0.0003720700000000, 0.0000106200000000 ] - [ -0.0004626300000000, 0.0001240900000000, -0.0001050500000000 ] - [ 0.0009549500000000, 0.0030360500000000, -0.0022453800000000 ] - [ -0.0002458000000000, -0.0001308800000000, -0.0000545200000000 ] - [ 0.0017851600000000, -0.0008784200000000, -0.0025689400000000 ] - [ -0.0002994700000000, -0.0002972100000000, -0.0001103400000000 ] - [ 0.0002137200000000, -0.0002539300000000, 0.0003825600000000 ] - [ 0.0044599300000000, -0.0001477800000000, 0.0010237900000000 ] - [ -0.0003747900000000, -0.0005411000000000, -0.0003057100000000 ] - [ 0.0007137000000000, -0.0001354400000000, 0.0014365200000000 ] - [ -0.0002667400000000, 0.0005124400000000, -0.0003915700000000 ] - [ 0.0018516700000000, 0.0018769900000000, -0.0013142900000000 ] - [ -0.0002615900000000, -0.0007587900000000, 0.0000768900000000 ] - [ 0.0010193800000000, 0.0010957600000000, 0.0005785800000000 ] - [ -0.0003270500000000, 0.0004865000000000, -0.0000777400000000 ] - [ -0.0010303600000000, -0.0013315900000000, -0.0004727200000000 ] - [ -0.0013167500000000, 0.0006089800000000, -0.0004060200000000 ] - [ -0.0004929100000000, 0.0003249100000000, -0.0005525500000000 ] - [ 0.0004711100000000, 0.0013928200000000, -0.0003760400000000 ] - [ -0.0007139500000000, -0.0004172100000000, 0.0000130200000000 ] - [ -0.0008359600000000, -0.0053984100000000, 0.0016763200000000 ] - [ -0.0006757800000000, 0.0005099200000000, -0.0000174200000000 ] - [ 0.0005799600000000, 0.0003768900000000, 0.0003837100000000 ] - [ -0.0010040900000000, 0.0005397200000000, -0.0005658000000000 ] - [ 0.0004149700000000, 0.0003624400000000, -0.0001022400000000 ] - [ -0.0026444600000000, 0.0006087600000000, -0.0009897300000000 ] - [ 0.0003126100000000, 0.0002046300000000, -0.0001537700000000 ] - [ -0.0018803900000000, 0.0004613700000000, 0.0001274300000000 ] - [ 0.0002089500000000, 0.0000270700000000, 0.0003680100000000 ] - [ -0.0032766600000000, -0.0005304500000000, -0.0008006000000000 ] - [ 0.0004904000000000, -0.0003760700000000, -0.0000447900000000 ] - [ -0.0033280600000000, -0.0014703400000000, -0.0013045800000000 ] - [ 0.0010069000000000, -0.0002668200000000, 0.0001746700000000 ] - [ -0.0011991800000000, -0.0003652100000000, -0.0007481400000000 ] - [ 0.0002962700000000, -0.0001840500000000, -0.0001096400000000 ] - [ -0.0006376600000000, -0.0001528600000000, -0.0006637400000000 ] - [ 0.0001699500000000, -0.0000313600000000, 0.0004967700000000 ] - [ -0.0040496600000000, 0.0002898300000000, 0.0001196900000000 ] - [ 0.0002190700000000, 0.0002741800000000, 0.0004672200000000 ] - [ 0.0002374100000000, 0.0004780500000000, -0.0006523600000000 ] - [ 0.0009519600000000, 0.0002068600000000, 0.0002737800000000 ] - [ 0.0002581500000000, -0.0006482700000000, 0.0006351500000000 ] - [ 0.0008086100000000, 0.0000156200000000, 0.0003583400000000 ] - [ -0.0005010200000000, -0.0000960600000000, -0.0003912500000000 ] - [ 0.0002587600000000, 0.0002065000000000, -0.0000982000000000 ] - [ -0.0005590000000000, -0.0003193400000000, 0.0001659500000000 ] - [ 0.0000497700000000, -0.0001230600000000, 0.0006392000000000 ] - [ 0.0006217300000000, -0.0010457400000000, -0.0004729500000000 ] - [ 0.0010231300000000, 0.0003207400000000, 0.0005937700000000 ] - [ 0.0007365800000000, 0.0004725700000000, 0.0008941700000000 ] - [ 0.0001786300000000, -0.0001061300000000, -0.0000203700000000 ] - [ -0.0012827500000000, -0.0006782000000000, 0.0007714000000000 ] - [ 0.0002464100000000, -0.0000872200000000, -0.0001005800000000 ] - [ 0.0009204800000000, 0.0007975500000000, -0.0001622300000000 ] - [ 0.0006140200000000, -0.0007544900000000, -0.0002066300000000 ] - [ 0.0005583400000000, 0.0004869500000000, -0.0002690700000000 ] - [ 0.0006016000000000, -0.0003749100000000, -0.0008701300000000 ] - [ 0.0004628300000000, 0.0002080100000000, 0.0001011600000000 ] - [ 0.0002589500000000, -0.0007384200000000, 0.0005901900000000 ] - [ -0.0003911800000000, 0.0001725600000000, -0.0001216700000000 ] - [ -0.0004092400000000, -0.0003146000000000, -0.0001757000000000 ] - [ -0.0001084000000000, -0.0002004700000000, 0.0000541200000000 ] - [ -0.0003703900000000, 0.0006783100000000, -0.0001399700000000 ] - [ 0.0005026100000000, -0.0000843900000000, -0.0004011300000000 ] - [ 0.0001860600000000, -0.0007839700000000, 0.0007750700000000 ] - [ 0.0006484000000000, -0.0001024600000000, -0.0001958300000000 ] - [ 0.0008036500000000, 0.0015843100000000, -0.0024689200000000 ] - [ 0.0010661300000000, 0.0003524100000000, 0.0005746300000000 ] - [ -0.0003671700000000, -0.0031261900000000, -0.0009762900000000 ] - [ -0.0001733500000000, 0.0000286400000000, 0.0000620000000000 ] - [ -0.0007300500000000, 0.0006267500000000, 0.0000555300000000 ] - [ 0.0003919300000000, 0.0002309200000000, 0.0003743900000000 ] - [ -0.0086694300000000, -0.0062731900000000, -0.0012248200000000 ] - [ 0.0005335500000000, -0.0000254400000000, -0.0002634300000000 ] - [ -0.0003512800000000, 0.0001179700000000, -0.0003692500000000 ] - [ 0.0008251000000000, -0.0001346500000000, 0.0005766000000000 ] - [ -0.0008149800000000, -0.0000430500000000, -0.0000446500000000 ] - [ 0.0002432900000000, -0.0003350100000000, 0.0003991100000000 ] - [ -0.0004343200000000, -0.0001969500000000, 0.0000171500000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000282900000000, -0.0037547700000000, -0.0011841500000000 ] - [ 0.0000569600000000, 0.0002703300000000, -0.0000138100000000 ] - [ -0.0100093000000000, -0.0302199000000000, -0.0082089800000000 ] - [ 0.0000034500000000, 0.0000509800000000, -0.0000191000000000 ] - [ -0.0008443000000000, 0.0044323300000000, 0.0026256100000000 ] - [ 0.0001885400000000, -0.0001353100000000, 0.0000800700000000 ] - [ 0.0001182800000000, 0.0005565200000000, -0.0003017300000000 ] - [ 0.0000397700000000, -0.0002766800000000, -0.0000263600000000 ] - [ 0.0001707800000000, 0.0011770600000000, 0.0003564200000000 ] - [ 0.0001387900000000, 0.0000602600000000, 0.0002129800000000 ] - [ -0.0000715300000000, 0.0003265000000000, 0.0000095100000000 ] - [ -0.0000044200000000, -0.0000690800000000, -0.0000185900000000 ] - [ 0.0039866900000000, 0.0026610900000000, -0.0016388500000000 ] - [ 0.0001565500000000, 0.0000391000000000, -0.0002086300000000 ] - [ 0.0002166500000000, 0.0004078200000000, -0.0003359500000000 ] - [ 0.0001710500000000, 0.0001613900000000, 0.0000726300000000 ] - [ 0.0007446100000000, -0.0021073100000000, 0.0003595300000000 ] - [ 0.0005690800000000, 0.0001101900000000, 0.0002488000000000 ] - [ -0.0019473300000000, -0.0024014500000000, 0.0015540000000000 ] - [ 0.0002474900000000, -0.0001875500000000, 0.0003197700000000 ] - [ 0.0001802500000000, -0.0004312800000000, 0.0002374900000000 ] - [ 0.0001808700000000, -0.0000466900000000, 0.0002456900000000 ] - [ 0.0004397500000000, 0.0005307100000000, 0.0001031900000000 ] - [ -0.0004574700000000, 0.0003158100000000, -0.0003236800000000 ] - [ 0.0003395700000000, -0.0000583300000000, 0.0003839500000000 ] - [ 0.0002127000000000, -0.0000743700000000, -0.0001902100000000 ] - [ -0.0003042800000000, 0.0006410800000000, 0.0004762100000000 ] - [ 0.0006865400000000, 0.0004559200000000, 0.0004056800000000 ] - [ 0.0006481600000000, 0.0000880200000000, 0.0002123600000000 ] - [ 0.0004934500000000, -0.0000955000000000, 0.0001854900000000 ] - [ -0.0000734900000000, 0.0002429200000000, -0.0002698700000000 ] - [ -0.0001496600000000, 0.0002646800000000, -0.0002737000000000 ] - [ 0.0001901200000000, 0.0006413400000000, 0.0003791400000000 ] - [ 0.0001269800000000, 0.0001266900000000, 0.0003288400000000 ] - [ -0.0005751000000000, 0.0006614900000000, -0.0002610500000000 ] - [ -0.0005932800000000, 0.0006790800000000, -0.0002426000000000 ] - [ -0.0000171900000000, -0.0004098900000000, -0.0004223600000000 ] - [ -0.0005127700000000, -0.0004958100000000, -0.0005018200000000 ] - [ -0.0004816800000000, 0.0001308600000000, 0.0000279800000000 ] - [ -0.0000031600000000, 0.0001917400000000, 0.0000985700000000 ] - [ 0.0002102700000000, -0.0002363500000000, 0.0002280600000000 ] - [ 0.0004525900000000, -0.0002986500000000, 0.0004601100000000 ] - [ -0.0001216500000000, -0.0003059900000000, -0.0001847900000000 ] - [ -0.0002137400000000, -0.0014133700000000, -0.0000953200000000 ] - [ -0.0001923900000000, -0.0002016500000000, -0.0002937000000000 ] - [ 0.0004154400000000, -0.0013479200000000, -0.0000561900000000 ] - [ -0.0006491500000000, -0.0005688300000000, -0.0002906100000000 ] - [ -0.0004322200000000, -0.0004761600000000, -0.0000947500000000 ] - [ -0.0000816200000000, -0.0001540200000000, -0.0000263100000000 ] - [ -0.0006119200000000, -0.0002047900000000, 0.0003986500000000 ] - [ -0.0003756900000000, -0.0000322600000000, 0.0001771100000000 ] - [ 0.0002372500000000, 0.0004647700000000, 0.0006509800000000 ] - [ 0.0000014500000000, 0.0002514700000000, 0.0000210300000000 ] - [ -0.0000303400000000, 0.0009938300000000, 0.0000227700000000 ] - [ -0.0000920200000000, 0.0001552600000000, -0.0001888800000000 ] - [ -0.0002174900000000, 0.0005066600000000, -0.0004262300000000 ] - [ -0.0000333900000000, 0.0004598900000000, 0.0000143800000000 ] - [ -0.0000702700000000, 0.0014867900000000, -0.0000178000000000 ] - [ -0.0001030600000000, 0.0001278800000000, -0.0000802000000000 ] - [ -0.0034580800000000, 0.0039185400000000, -0.0052241900000000 ] - [ 0.0000002900000000, -0.0002161500000000, 0.0000168500000000 ] - [ 0.0007113600000000, -0.0014793100000000, 0.0037688000000000 ] - [ -0.0000515400000000, -0.0004597700000000, 0.0000048700000000 ] - [ -0.0000978700000000, -0.0008805600000000, 0.0000029500000000 ] - [ -0.0007541800000000, 0.0076861700000000, 0.0041364200000000 ] - [ 0.0003137500000000, -0.0004530500000000, -0.0001121900000000 ] - [ 0.0005044800000000, 0.0007763900000000, -0.0011312700000000 ] - [ 0.0002673900000000, 0.0004196200000000, -0.0001345000000000 ] - [ -0.0019491700000000, 0.0022038800000000, -0.0031951200000000 ] - [ 0.0002672100000000, -0.0006784000000000, 0.0001538000000000 ] - [ -0.0003285200000000, 0.0010657600000000, 0.0003121700000000 ] - [ 0.0003610800000000, 0.0008812300000000, 0.0002240200000000 ] - [ 0.0001386700000000, -0.0004051000000000, -0.0001147100000000 ] - [ -0.0030015800000000, 0.0001619500000000, -0.0009022000000000 ] - [ -0.0000207900000000, 0.0004830000000000, -0.0000072100000000 ] - [ -0.0007635700000000, 0.0003286400000000, -0.0004479900000000 ] - [ -0.0003162900000000, -0.0005823500000000, 0.0001516500000000 ] - [ 0.0044117400000000, 0.0045595500000000, -0.0020498600000000 ] - [ -0.0002496600000000, 0.0006075100000000, 0.0001267100000000 ] - [ -0.0000944600000000, 0.0010386200000000, 0.0005067600000000 ] - [ 0.0002807000000000, -0.0013663400000000, -0.0015315400000000 ] - [ 0.0000231300000000, 0.0002500200000000, -0.0002829100000000 ] - [ -0.0003111700000000, -0.0026128800000000, 0.0012135200000000 ] - [ -0.0002712200000000, 0.0001832100000000, -0.0003244000000000 ] - [ -0.0003503900000000, -0.0036172600000000, 0.0005685000000000 ] - [ -0.0002224000000000, -0.0000666000000000, 0.0003319100000000 ] - [ -0.0000541400000000, 0.0032588600000000, 0.0004136100000000 ] - [ 0.0000315000000000, -0.0002100600000000, -0.0002623600000000 ] - [ 0.0019008400000000, 0.0066849900000000, 0.0033161800000000 ] - [ 0.0005415800000000, -0.0000966200000000, 0.0000600600000000 ] - [ 0.0000301300000000, -0.0005893000000000, -0.0008414400000000 ] - [ -0.0003409600000000, -0.0002434000000000, -0.0003485600000000 ] - [ -0.0002477100000000, 0.0006424400000000, 0.0007330200000000 ] - [ -0.0002477100000000, 0.0000893900000000, 0.0003290800000000 ] - [ 0.0002791800000000, 0.0038425900000000, 0.0005107800000000 ] - [ -0.0003488600000000, 0.0002869800000000, 0.0004851300000000 ] - [ 0.0003236800000000, -0.0001844000000000, 0.0005776200000000 ] - [ 0.0005731100000000, 0.0001564200000000, 0.0001089900000000 ] - [ 0.0010182100000000, -0.0010979100000000, 0.0007915800000000 ] - [ 0.0002982000000000, -0.0001179400000000, 0.0002556600000000 ] - [ 0.0002616000000000, -0.0007932700000000, -0.0003682300000000 ] - [ -0.0001601100000000, -0.0000871100000000, -0.0002172400000000 ] - [ -0.0000582900000000, -0.0007394700000000, 0.0003842400000000 ] - [ -0.0002784500000000, -0.0003785600000000, 0.0004370900000000 ] - [ 0.0007543100000000, -0.0000263300000000, 0.0000560000000000 ] - [ 0.0000746100000000, -0.0000693300000000, 0.0001107100000000 ] - [ -0.0000334200000000, 0.0004593500000000, 0.0000646300000000 ] - [ 0.0002325400000000, 0.0005860900000000, 0.0002884200000000 ] - [ 0.0001530800000000, 0.0003866300000000, 0.0014779000000000 ] - [ -0.0001529500000000, -0.0000512600000000, -0.0002358100000000 ] - [ -0.0013179900000000, 0.0003102600000000, -0.0003221800000000 ] - [ 0.0003964300000000, 0.0007706800000000, 0.0000243800000000 ] - [ -0.0000977100000000, -0.0001615700000000, -0.0004596800000000 ] - [ 0.0011709600000000, -0.0006604600000000, -0.0007825000000000 ] - [ -0.0000369500000000, -0.0003744000000000, 0.0002517600000000 ] - [ 0.0010315700000000, -0.0009708500000000, 0.0006576400000000 ] - [ -0.0007676600000000, -0.0001051700000000, -0.0005659600000000 ] - [ -0.0002843300000000, -0.0000388000000000, -0.0002226600000000 ] - [ -0.0002594700000000, -0.0003062100000000, -0.0000229400000000 ] - [ -0.0014497600000000, -0.0016198600000000, -0.0000163800000000 ] - [ 0.0001472000000000, 0.0000823000000000, -0.0004916700000000 ] - [ 0.0005910800000000, 0.0008667800000000, -0.0002259000000000 ] - [ 0.0003094300000000, 0.0001586000000000, -0.0002959400000000 ] - [ -0.0013097300000000, 0.0001655400000000, 0.0017750000000000 ] - [ 0.0000547700000000, 0.0002145800000000, 0.0002429800000000 ] - [ 0.0044488600000000, -0.0019541500000000, -0.0004459500000000 ] - [ -0.0003764600000000, 0.0001957200000000, 0.0000044700000000 ] - [ -0.0006911100000000, -0.0000981500000000, -0.0005074100000000 ] - [ -0.0000093500000000, 0.0004505100000000, 0.0002207000000000 ] - [ 0.0055829200000000, 0.0091042200000000, 0.0016359500000000 ] - [ 0.0002205100000000, -0.0001590100000000, -0.0003032300000000 ] - [ 0.0000492300000000, -0.0010967700000000, -0.0006484600000000 ] - [ 0.0001545300000000, -0.0001862800000000, 0.0002624600000000 ] - [ 0.0005636900000000, -0.0002364500000000, 0.0009999500000000 ] - [ -0.0000280500000000, -0.0004904700000000, 0.0002556900000000 ] - [ -0.0000639700000000, -0.0009822500000000, 0.0000912100000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000408100000000, 0.0044445400000000, 0.0012118700000000 ] - [ 0.0000279300000000, 0.0004320200000000, -0.0000220400000000 ] - [ 0.0099032500000000, 0.0304200400000000, 0.0082814700000000 ] - [ -0.0000155000000000, 0.0002225700000000, -0.0000188300000000 ] - [ 0.0011605600000000, -0.0046752200000000, -0.0024438100000000 ] - [ 0.0001422300000000, -0.0001547100000000, 0.0000658800000000 ] - [ -0.0000351300000000, -0.0012584600000000, 0.0002702900000000 ] - [ 0.0000452100000000, -0.0004257300000000, -0.0000093900000000 ] - [ 0.0000977700000000, -0.0012565700000000, 0.0000538700000000 ] - [ 0.0001335600000000, -0.0001401900000000, 0.0001992700000000 ] - [ 0.0000591700000000, -0.0005983300000000, -0.0000479900000000 ] - [ -0.0000075000000000, -0.0002043700000000, -0.0000193700000000 ] - [ -0.0035209000000000, -0.0025465000000000, 0.0013019300000000 ] - [ 0.0003468300000000, 0.0000815700000000, -0.0001460000000000 ] - [ 0.0001144400000000, -0.0001182900000000, 0.0004783700000000 ] - [ 0.0001597400000000, 0.0001285300000000, 0.0000732900000000 ] - [ 0.0004025800000000, 0.0026610600000000, 0.0001501000000000 ] - [ 0.0005567300000000, 0.0004405400000000, 0.0002374400000000 ] - [ 0.0022397000000000, 0.0023234500000000, -0.0009363100000000 ] - [ 0.0000094800000000, 0.0001386800000000, 0.0003129800000000 ] - [ 0.0000934700000000, 0.0005067500000000, 0.0001730500000000 ] - [ 0.0000910600000000, 0.0001266800000000, 0.0001665100000000 ] - [ -0.0010772400000000, 0.0001590200000000, -0.0008417000000000 ] - [ -0.0001770900000000, 0.0003731700000000, -0.0004119800000000 ] - [ 0.0001635000000000, -0.0000606600000000, -0.0007409700000000 ] - [ 0.0002901600000000, -0.0000457800000000, -0.0001646500000000 ] - [ 0.0009364500000000, 0.0000459100000000, 0.0002587800000000 ] - [ -0.0000516600000000, 0.0002320900000000, 0.0003301800000000 ] - [ 0.0004765600000000, -0.0006378900000000, 0.0002747500000000 ] - [ 0.0006328800000000, -0.0004553100000000, 0.0003013200000000 ] - [ -0.0001840200000000, -0.0002916200000000, -0.0003631300000000 ] - [ -0.0001069500000000, -0.0003128800000000, -0.0003589200000000 ] - [ 0.0000658300000000, -0.0005912000000000, 0.0002509100000000 ] - [ 0.0001304600000000, -0.0000775800000000, 0.0003037600000000 ] - [ -0.0005523600000000, -0.0001113200000000, -0.0002255900000000 ] - [ -0.0005311100000000, -0.0001284400000000, -0.0002436600000000 ] - [ -0.0006163000000000, -0.0002770600000000, -0.0003122700000000 ] - [ -0.0001221000000000, -0.0001916200000000, -0.0002327700000000 ] - [ -0.0000209800000000, -0.0000111300000000, 0.0003274800000000 ] - [ -0.0004986900000000, -0.0000718100000000, 0.0002556700000000 ] - [ 0.0004242000000000, -0.0004527800000000, 0.0005066800000000 ] - [ 0.0001825500000000, -0.0003904100000000, 0.0002752000000000 ] - [ -0.0001494100000000, 0.0002263800000000, -0.0002271600000000 ] - [ -0.0000672200000000, 0.0013354600000000, -0.0003131700000000 ] - [ -0.0000628900000000, 0.0002504200000000, -0.0003387700000000 ] - [ -0.0006898300000000, 0.0013950900000000, -0.0005828600000000 ] - [ -0.0004760100000000, 0.0000173900000000, -0.0001952100000000 ] - [ -0.0006942100000000, -0.0000751600000000, -0.0003928100000000 ] - [ -0.0002489300000000, -0.0001357300000000, -0.0001197700000000 ] - [ 0.0002818800000000, -0.0000833500000000, -0.0005473200000000 ] - [ -0.0001271200000000, -0.0000883700000000, 0.0001774700000000 ] - [ -0.0007361400000000, -0.0005852700000000, -0.0002941400000000 ] - [ 0.0000105200000000, 0.0000219300000000, 0.0000170300000000 ] - [ 0.0000452400000000, -0.0007189800000000, 0.0000135600000000 ] - [ -0.0001800800000000, -0.0000752800000000, -0.0002229200000000 ] - [ -0.0000537200000000, -0.0004257000000000, 0.0000163400000000 ] - [ -0.0000514400000000, 0.0002423000000000, 0.0000214900000000 ] - [ -0.0000109300000000, -0.0007845100000000, 0.0000547000000000 ] - [ -0.0002275600000000, 0.0001624800000000, -0.0000654900000000 ] - [ 0.0031702800000000, -0.0036584100000000, 0.0051526000000000 ] - [ 0.0000118200000000, -0.0000576200000000, 0.0000212000000000 ] - [ -0.0007079700000000, 0.0011665900000000, -0.0037513500000000 ] - [ -0.0000329900000000, -0.0002425900000000, 0.0000312000000000 ] - [ 0.0000117000000000, 0.0001758900000000, 0.0000305000000000 ] - [ 0.0012309300000000, -0.0088034000000000, -0.0045134700000000 ] - [ 0.0001453800000000, -0.0005636200000000, -0.0001819200000000 ] - [ -0.0000471900000000, 0.0002617500000000, 0.0008221600000000 ] - [ 0.0001918200000000, 0.0005976400000000, -0.0001599700000000 ] - [ 0.0023078800000000, -0.0035058800000000, 0.0034974700000000 ] - [ 0.0001392900000000, -0.0006344300000000, 0.0001718100000000 ] - [ 0.0007287100000000, 0.0002421000000000, 0.0000158200000000 ] - [ 0.0000449000000000, 0.0004302600000000, 0.0001014900000000 ] - [ -0.0005445900000000, -0.0009055300000000, -0.0002103000000000 ] - [ 0.0026019000000000, -0.0014759900000000, 0.0005759300000000 ] - [ -0.0003849400000000, 0.0008299600000000, -0.0003179800000000 ] - [ 0.0003565700000000, 0.0009857900000000, 0.0001199000000000 ] - [ -0.0001416300000000, -0.0004344900000000, 0.0001425100000000 ] - [ -0.0047979900000000, -0.0055376400000000, 0.0023369300000000 ] - [ -0.0002091100000000, 0.0004095000000000, 0.0001670400000000 ] - [ -0.0003626100000000, -0.0000260300000000, -0.0002082200000000 ] - [ -0.0001784600000000, 0.0020368300000000, 0.0010456200000000 ] - [ 0.0000779900000000, 0.0004231700000000, -0.0002099200000000 ] - [ -0.0002301200000000, 0.0030062500000000, -0.0018350700000000 ] - [ -0.0002699500000000, 0.0002368700000000, -0.0003164600000000 ] - [ -0.0000799600000000, 0.0036967200000000, 0.0000855900000000 ] - [ -0.0002089200000000, 0.0001132300000000, 0.0003200500000000 ] - [ 0.0001255800000000, -0.0039669300000000, -0.0008431500000000 ] - [ 0.0000694500000000, -0.0004638900000000, -0.0002298000000000 ] - [ -0.0009902600000000, -0.0072695000000000, -0.0034383700000000 ] - [ 0.0004703600000000, -0.0002399500000000, 0.0000763700000000 ] - [ -0.0005683600000000, 0.0001723200000000, 0.0001958000000000 ] - [ -0.0001999300000000, -0.0001760500000000, -0.0002922900000000 ] - [ -0.0001839500000000, -0.0006935800000000, -0.0000737000000000 ] - [ -0.0001837500000000, -0.0001360600000000, 0.0003228800000000 ] - [ -0.0008646200000000, -0.0033271600000000, 0.0003377700000000 ] - [ -0.0001018100000000, 0.0000617300000000, 0.0004382900000000 ] - [ 0.0006855700000000, 0.0005093000000000, -0.0004426700000000 ] - [ 0.0004385600000000, 0.0001794600000000, 0.0000270200000000 ] - [ -0.0000922300000000, 0.0011201300000000, -0.0002087900000000 ] - [ 0.0006197000000000, 0.0001334100000000, 0.0003275300000000 ] - [ -0.0004704600000000, 0.0010675300000000, -0.0000592500000000 ] - [ -0.0000570400000000, 0.0003612700000000, -0.0002073900000000 ] - [ -0.0003906500000000, 0.0003921300000000, 0.0005400500000000 ] - [ -0.0001723900000000, 0.0000312900000000, 0.0004866700000000 ] - [ 0.0001653500000000, 0.0000193700000000, 0.0005295300000000 ] - [ 0.0008445400000000, 0.0000553800000000, 0.0004725300000000 ] - [ 0.0002487200000000, -0.0001869700000000, 0.0003586000000000 ] - [ -0.0000156500000000, -0.0003123100000000, 0.0001382800000000 ] - [ -0.0003659600000000, -0.0006519100000000, -0.0018958600000000 ] - [ -0.0000637400000000, -0.0002218400000000, -0.0001882600000000 ] - [ 0.0003994400000000, -0.0003007600000000, -0.0002618600000000 ] - [ -0.0013176900000000, -0.0007600400000000, -0.0006089600000000 ] - [ 0.0005491400000000, 0.0005084500000000, -0.0004640400000000 ] - [ -0.0007224000000000, 0.0010088000000000, -0.0001397100000000 ] - [ 0.0002539500000000, 0.0000996900000000, 0.0001724600000000 ] - [ -0.0008199500000000, 0.0006973300000000, -0.0002346400000000 ] - [ -0.0001520500000000, 0.0000896700000000, -0.0000173700000000 ] - [ -0.0006337800000000, 0.0000214000000000, -0.0003604900000000 ] - [ -0.0007539100000000, -0.0000304700000000, -0.0001138500000000 ] - [ 0.0004320800000000, 0.0012889600000000, -0.0001236000000000 ] - [ 0.0003025500000000, -0.0004307600000000, -0.0004319300000000 ] - [ -0.0001376700000000, -0.0012198300000000, -0.0006944100000000 ] - [ 0.0001211300000000, -0.0001113300000000, -0.0003559900000000 ] - [ 0.0017309700000000, -0.0001106900000000, -0.0024169900000000 ] - [ 0.0004858800000000, 0.0002047000000000, 0.0003976700000000 ] - [ -0.0039261200000000, 0.0023478700000000, 0.0010852300000000 ] - [ -0.0006353100000000, 0.0001406800000000, -0.0001406300000000 ] - [ -0.0003221500000000, 0.0004418300000000, 0.0003721100000000 ] - [ -0.0000925000000000, 0.0002224100000000, 0.0002726800000000 ] - [ -0.0053478300000000, -0.0081255800000000, -0.0010642400000000 ] - [ 0.0002100100000000, 0.0001120200000000, -0.0003481000000000 ] - [ 0.0003780200000000, 0.0010490900000000, -0.0000105200000000 ] - [ 0.0003856700000000, -0.0002335900000000, 0.0003780300000000 ] - [ -0.0000176100000000, -0.0001908300000000, -0.0003572900000000 ] - [ -0.0000731500000000, -0.0001826100000000, 0.0002371500000000 ] - [ -0.0000382500000000, 0.0003096400000000, 0.0004016700000000 ]- atom: 3 displacement: [ -0.0030577532044204, 0.0000000000000000, 0.0095210369887348 ] forces: - [ -0.0032626300000000, -0.0002290000000000, 0.0151705700000000 ] - [ 0.0000593400000000, 0.0003540000000000, -0.0000113500000000 ] - [ 0.0052193600000000, -0.0045209300000000, -0.0373744800000000 ] - [ -0.0000358600000000, 0.0001337100000000, -0.0000229600000000 ] - [ 0.0002040900000000, 0.0017498200000000, -0.0002830400000000 ] - [ 0.0001508300000000, -0.0001445400000000, 0.0000729000000000 ] - [ 0.0000588300000000, -0.0005559800000000, -0.0000815700000000 ] - [ 0.0000417700000000, -0.0003455800000000, -0.0000191000000000 ] - [ 0.0002197200000000, -0.0000414000000000, -0.0000347200000000 ] - [ 0.0001082900000000, -0.0000366900000000, 0.0002073800000000 ] - [ -0.0000799800000000, -0.0001845600000000, 0.0001996600000000 ] - [ 0.0000211400000000, -0.0001367200000000, -0.0000163200000000 ] - [ -0.0009287000000000, -0.0019182900000000, -0.0012991500000000 ] - [ 0.0002095100000000, 0.0000662200000000, -0.0002077400000000 ] - [ 0.0000085200000000, -0.0002149000000000, 0.0006216900000000 ] - [ 0.0001974700000000, 0.0001443300000000, 0.0000786400000000 ] - [ 0.0036526900000000, 0.0001796800000000, 0.0012211700000000 ] - [ 0.0004395300000000, 0.0002816700000000, 0.0003265500000000 ] - [ -0.0063281600000000, 0.0021387500000000, 0.0015766400000000 ] - [ 0.0001449500000000, -0.0000431800000000, 0.0002514400000000 ] - [ -0.0002210000000000, 0.0000085200000000, 0.0013968100000000 ] - [ 0.0002122100000000, 0.0000501000000000, 0.0002174200000000 ] - [ 0.0000462500000000, 0.0005840500000000, -0.0004688000000000 ] - [ -0.0004201000000000, 0.0003659400000000, -0.0002578800000000 ] - [ 0.0003172700000000, 0.0003394900000000, 0.0004921100000000 ] - [ 0.0003180500000000, -0.0000781100000000, -0.0001260600000000 ] - [ 0.0001678400000000, 0.0005899200000000, 0.0000913100000000 ] - [ 0.0002641700000000, 0.0003227400000000, 0.0002545400000000 ] - [ 0.0004712200000000, -0.0003479800000000, 0.0002990500000000 ] - [ 0.0006027700000000, -0.0002855400000000, 0.0002020000000000 ] - [ -0.0000605000000000, 0.0000004600000000, -0.0002998500000000 ] - [ -0.0001662200000000, -0.0000389100000000, -0.0001673800000000 ] - [ 0.0001338200000000, 0.0000248800000000, 0.0004622100000000 ] - [ 0.0001434300000000, 0.0000184300000000, 0.0003506700000000 ] - [ -0.0005688900000000, 0.0002615700000000, -0.0003412900000000 ] - [ -0.0006112300000000, 0.0002941800000000, -0.0002955900000000 ] - [ -0.0006670300000000, -0.0004490000000000, -0.0001838400000000 ] - [ -0.0001036400000000, -0.0004329500000000, -0.0004954100000000 ] - [ -0.0001371100000000, 0.0000225200000000, 0.0001407500000000 ] - [ -0.0004790800000000, -0.0000540500000000, 0.0003992000000000 ] - [ 0.0003354800000000, -0.0004448100000000, 0.0006379400000000 ] - [ 0.0003924400000000, -0.0003021300000000, 0.0004388000000000 ] - [ -0.0000368000000000, -0.0000012200000000, -0.0003663400000000 ] - [ -0.0021457800000000, 0.0002468900000000, 0.0000731800000000 ] - [ -0.0004578800000000, 0.0000433300000000, -0.0002998200000000 ] - [ 0.0007391700000000, -0.0000113400000000, -0.0010700900000000 ] - [ -0.0004229900000000, -0.0002674400000000, 0.0001167700000000 ] - [ -0.0003561000000000, -0.0002063400000000, 0.0000727600000000 ] - [ -0.0000947200000000, -0.0001257300000000, -0.0001062900000000 ] - [ -0.0005885700000000, 0.0001387900000000, 0.0005270500000000 ] - [ -0.0003482300000000, -0.0000259500000000, 0.0002146000000000 ] - [ -0.0000210800000000, 0.0001392300000000, 0.0000468400000000 ] - [ 0.0000233100000000, 0.0001332900000000, 0.0000020500000000 ] - [ -0.0000827700000000, 0.0001205000000000, 0.0000924000000000 ] - [ -0.0001629400000000, 0.0000520300000000, -0.0001527400000000 ] - [ -0.0000426100000000, -0.0001560100000000, -0.0001944500000000 ] - [ -0.0000650800000000, 0.0003504700000000, 0.0000141100000000 ] - [ 0.0000181400000000, 0.0003975800000000, -0.0002189600000000 ] - [ -0.0002147100000000, 0.0001428100000000, -0.0000422800000000 ] - [ 0.0022278100000000, -0.0033474800000000, -0.0000091100000000 ] - [ -0.0000015000000000, -0.0001370300000000, 0.0000692400000000 ] - [ 0.0029891100000000, 0.0032551500000000, 0.0069401000000000 ] - [ 0.0000459500000000, -0.0003675300000000, 0.0000380700000000 ] - [ -0.0005546900000000, -0.0003383000000000, 0.0010909600000000 ] - [ 0.0005897400000000, 0.0039542300000000, 0.0000385200000000 ] - [ 0.0001743800000000, -0.0005204900000000, -0.0001453000000000 ] - [ -0.0008904600000000, -0.0006544000000000, 0.0034248900000000 ] - [ 0.0003078700000000, 0.0005017200000000, -0.0001399200000000 ] - [ 0.0018238500000000, -0.0024369400000000, -0.0003381100000000 ] - [ 0.0001510900000000, -0.0006344500000000, 0.0002425500000000 ] - [ -0.0000295500000000, 0.0011258100000000, 0.0003087500000000 ] - [ 0.0002843100000000, 0.0007097700000000, 0.0001364300000000 ] - [ -0.0003798100000000, -0.0009165600000000, -0.0003574500000000 ] - [ -0.0014231500000000, -0.0000027600000000, -0.0009272300000000 ] - [ -0.0001830800000000, 0.0007275300000000, 0.0001628600000000 ] - [ -0.0000740000000000, 0.0004807900000000, 0.0008294700000000 ] - [ -0.0002328000000000, -0.0005084600000000, 0.0000565600000000 ] - [ -0.0016047400000000, -0.0029761200000000, -0.0018378100000000 ] - [ -0.0001620300000000, 0.0004634100000000, 0.0002120300000000 ] - [ -0.0002187300000000, 0.0010474100000000, 0.0004458100000000 ] - [ 0.0000443300000000, -0.0003427900000000, -0.0006824300000000 ] - [ 0.0000311700000000, 0.0003412200000000, -0.0002576000000000 ] - [ -0.0004327800000000, 0.0012707600000000, 0.0001855600000000 ] - [ -0.0002412600000000, 0.0002061600000000, -0.0003136000000000 ] - [ -0.0005885300000000, -0.0002872200000000, 0.0017208100000000 ] - [ -0.0001638000000000, 0.0000214200000000, 0.0003161800000000 ] - [ -0.0004679100000000, -0.0005397200000000, 0.0023602700000000 ] - [ 0.0000473800000000, -0.0003288500000000, -0.0002383100000000 ] - [ 0.0011998700000000, 0.0043847100000000, 0.0064377200000000 ] - [ 0.0005589200000000, -0.0001795000000000, 0.0000468100000000 ] - [ -0.0000205500000000, -0.0008346900000000, -0.0008250100000000 ] - [ -0.0003477600000000, -0.0002139000000000, -0.0003444700000000 ] - [ 0.0007396200000000, -0.0006504400000000, -0.0025057400000000 ] - [ -0.0003127000000000, -0.0000239600000000, 0.0003143800000000 ] - [ -0.0008539600000000, -0.0002555800000000, 0.0037074900000000 ] - [ -0.0001361100000000, 0.0001882000000000, 0.0004483700000000 ] - [ 0.0011825900000000, 0.0010158700000000, -0.0008178500000000 ] - [ 0.0004276100000000, 0.0001727600000000, 0.0000802800000000 ] - [ 0.0001012500000000, 0.0002717400000000, 0.0005098300000000 ] - [ 0.0005607800000000, 0.0000131200000000, 0.0002345500000000 ] - [ 0.0000070400000000, -0.0000431400000000, -0.0000712100000000 ] - [ -0.0001012100000000, 0.0001083200000000, -0.0001416000000000 ] - [ -0.0000338900000000, -0.0002758200000000, 0.0000279800000000 ] - [ -0.0002977100000000, -0.0001993600000000, 0.0004796800000000 ] - [ 0.0009060600000000, -0.0006619300000000, -0.0002448900000000 ] - [ 0.0003194100000000, -0.0000740100000000, 0.0003368300000000 ] - [ -0.0002645700000000, -0.0000532200000000, -0.0001351600000000 ] - [ 0.0003863400000000, -0.0000229600000000, -0.0005485600000000 ] - [ -0.0012055900000000, 0.0014138600000000, -0.0011722200000000 ] - [ -0.0001545200000000, -0.0001645700000000, -0.0003383900000000 ] - [ -0.0000167800000000, 0.0002766800000000, 0.0001590800000000 ] - [ 0.0000030000000000, -0.0000459300000000, 0.0002598300000000 ] - [ 0.0001023200000000, 0.0002123700000000, -0.0002303800000000 ] - [ 0.0006961800000000, -0.0001468500000000, -0.0005914300000000 ] - [ 0.0002392300000000, -0.0000465800000000, 0.0002527200000000 ] - [ 0.0000050100000000, -0.0002239600000000, 0.0008794500000000 ] - [ -0.0004983500000000, -0.0000884500000000, -0.0005252600000000 ] - [ -0.0006259800000000, 0.0002066000000000, -0.0006027000000000 ] - [ -0.0004911800000000, -0.0001730000000000, 0.0000060200000000 ] - [ -0.0003906900000000, -0.0000191900000000, 0.0005194000000000 ] - [ 0.0003384500000000, -0.0002072300000000, -0.0007711800000000 ] - [ -0.0007687500000000, 0.0003546800000000, -0.0013646100000000 ] - [ 0.0001551400000000, 0.0000256600000000, -0.0002555800000000 ] - [ 0.0021371500000000, 0.0019079700000000, -0.0007985800000000 ] - [ 0.0003868300000000, 0.0002440900000000, 0.0004016100000000 ] - [ 0.0018965100000000, -0.0020853400000000, 0.0016161600000000 ] - [ -0.0006056800000000, 0.0002312300000000, -0.0001845900000000 ] - [ -0.0007222800000000, -0.0006257100000000, -0.0009526600000000 ] - [ 0.0000370800000000, 0.0002926800000000, 0.0003126800000000 ] - [ -0.0019012800000000, -0.0009085500000000, 0.0025196300000000 ] - [ 0.0002353800000000, -0.0000208200000000, -0.0003865400000000 ] - [ 0.0000744300000000, -0.0002558300000000, -0.0002950500000000 ] - [ 0.0001776600000000, -0.0002387100000000, 0.0002245400000000 ] - [ 0.0000378100000000, 0.0003042600000000, -0.0008394600000000 ] - [ -0.0001161300000000, -0.0003262200000000, 0.0002150500000000 ] - [ 0.0000745700000000, -0.0004221900000000, -0.0002108800000000 ]- atom: 3 displacement: [ 0.0030577532044204, 0.0000000000000000, -0.0095210369887348 ] forces: - [ 0.0034297700000000, 0.0009531100000000, -0.0156061800000000 ] - [ 0.0000257400000000, 0.0003484400000000, -0.0000243700000000 ] - [ -0.0050224200000000, 0.0050901300000000, 0.0373815300000000 ] - [ 0.0000235100000000, 0.0001397700000000, -0.0000150900000000 ] - [ 0.0001333700000000, -0.0020469400000000, 0.0004110400000000 ] - [ 0.0001794600000000, -0.0001453900000000, 0.0000730600000000 ] - [ 0.0000263500000000, -0.0001484700000000, 0.0000449400000000 ] - [ 0.0000430000000000, -0.0003570200000000, -0.0000167300000000 ] - [ 0.0000525600000000, -0.0000409400000000, 0.0004461500000000 ] - [ 0.0001636900000000, -0.0000431900000000, 0.0002049100000000 ] - [ 0.0000677900000000, -0.0000899000000000, -0.0002372400000000 ] - [ -0.0000330400000000, -0.0001369700000000, -0.0000217700000000 ] - [ 0.0014289000000000, 0.0020312600000000, 0.0009310800000000 ] - [ 0.0002932600000000, 0.0000542100000000, -0.0001471300000000 ] - [ 0.0003217900000000, 0.0005069600000000, -0.0004743600000000 ] - [ 0.0001334300000000, 0.0001456800000000, 0.0000672100000000 ] - [ -0.0025320000000000, 0.0003766200000000, -0.0007182600000000 ] - [ 0.0006867200000000, 0.0002694100000000, 0.0001607000000000 ] - [ 0.0065079500000000, -0.0021577200000000, -0.0009480300000000 ] - [ 0.0001111100000000, -0.0000054500000000, 0.0003811200000000 ] - [ 0.0004902400000000, 0.0000742500000000, -0.0009840700000000 ] - [ 0.0000600400000000, 0.0000302300000000, 0.0001942600000000 ] - [ -0.0006814900000000, 0.0001046500000000, -0.0002663700000000 ] - [ -0.0002145700000000, 0.0003221900000000, -0.0004764400000000 ] - [ 0.0001831100000000, -0.0004626800000000, -0.0008468200000000 ] - [ 0.0001854300000000, -0.0000422600000000, -0.0002286700000000 ] - [ 0.0004691800000000, 0.0000985300000000, 0.0006410600000000 ] - [ 0.0003687500000000, 0.0003652600000000, 0.0004815400000000 ] - [ 0.0006540600000000, -0.0002036000000000, 0.0001870400000000 ] - [ 0.0005229400000000, -0.0002658400000000, 0.0002839700000000 ] - [ -0.0001963600000000, -0.0000496500000000, -0.0003325400000000 ] - [ -0.0000908300000000, -0.0000102800000000, -0.0004644100000000 ] - [ 0.0001229600000000, 0.0000237700000000, 0.0001716100000000 ] - [ 0.0001139400000000, 0.0000303800000000, 0.0002819500000000 ] - [ -0.0005564900000000, 0.0002881200000000, -0.0001454900000000 ] - [ -0.0005147800000000, 0.0002559600000000, -0.0001907200000000 ] - [ 0.0000305100000000, -0.0002404000000000, -0.0005517600000000 ] - [ -0.0005307000000000, -0.0002548200000000, -0.0002410700000000 ] - [ -0.0003650000000000, 0.0000973400000000, 0.0002153700000000 ] - [ -0.0000235700000000, 0.0001748500000000, -0.0000430000000000 ] - [ 0.0002985900000000, -0.0002431500000000, 0.0000980400000000 ] - [ 0.0002429500000000, -0.0003861100000000, 0.0002956400000000 ] - [ -0.0002346700000000, -0.0000778500000000, -0.0000460900000000 ] - [ 0.0018801300000000, -0.0003275100000000, -0.0004779600000000 ] - [ 0.0001993300000000, 0.0000058500000000, -0.0003334600000000 ] - [ -0.0010060300000000, 0.0000639800000000, 0.0004268100000000 ] - [ -0.0007040500000000, -0.0002833400000000, -0.0006027400000000 ] - [ -0.0007672300000000, -0.0003435200000000, -0.0005587400000000 ] - [ -0.0002359500000000, -0.0001643400000000, -0.0000397800000000 ] - [ 0.0002595700000000, -0.0004321700000000, -0.0006717000000000 ] - [ -0.0001549300000000, -0.0000938800000000, 0.0001396600000000 ] - [ -0.0004820800000000, -0.0002608900000000, 0.0003039600000000 ] - [ -0.0000111600000000, 0.0001398600000000, 0.0000360500000000 ] - [ 0.0000944000000000, 0.0001523700000000, -0.0000531900000000 ] - [ -0.0001094500000000, 0.0000273700000000, -0.0002590300000000 ] - [ -0.0002290000000000, 0.0002342200000000, -0.0002183900000000 ] - [ -0.0000197800000000, 0.0003516000000000, 0.0000214700000000 ] - [ -0.0001029500000000, 0.0003025900000000, 0.0002540300000000 ] - [ -0.0001164500000000, 0.0001472300000000, -0.0001038000000000 ] - [ -0.0025397300000000, 0.0036200400000000, -0.0001526200000000 ] - [ 0.0000129200000000, -0.0001364800000000, -0.0000312600000000 ] - [ -0.0029209800000000, -0.0034713900000000, -0.0068019400000000 ] - [ -0.0001309500000000, -0.0003344500000000, -0.0000020300000000 ] - [ 0.0004723600000000, -0.0003623900000000, -0.0010538600000000 ] - [ -0.0001367400000000, -0.0049810300000000, -0.0003218300000000 ] - [ 0.0002845800000000, -0.0004964900000000, -0.0001483700000000 ] - [ 0.0013371000000000, 0.0016603900000000, -0.0036996700000000 ] - [ 0.0001509600000000, 0.0005153700000000, -0.0001547900000000 ] - [ -0.0014240700000000, 0.0011228800000000, 0.0006903300000000 ] - [ 0.0002550600000000, -0.0006778900000000, 0.0000838000000000 ] - [ 0.0004349000000000, 0.0001901300000000, 0.0000136700000000 ] - [ 0.0001207700000000, 0.0006012100000000, 0.0001881800000000 ] - [ -0.0000269900000000, -0.0003962700000000, 0.0000312900000000 ] - [ 0.0010154600000000, -0.0013076900000000, 0.0005994300000000 ] - [ -0.0002236500000000, 0.0005842200000000, -0.0004875900000000 ] - [ -0.0003291200000000, 0.0008296300000000, -0.0011525900000000 ] - [ -0.0002248700000000, -0.0005073400000000, 0.0002366100000000 ] - [ 0.0011325300000000, 0.0019527900000000, 0.0021660600000000 ] - [ -0.0002976400000000, 0.0005537400000000, 0.0000815700000000 ] - [ -0.0002380600000000, -0.0000265300000000, -0.0001544800000000 ] - [ 0.0000594600000000, 0.0010159800000000, 0.0001848300000000 ] - [ 0.0000699400000000, 0.0003320400000000, -0.0002356900000000 ] - [ -0.0001057800000000, -0.0008444200000000, -0.0008377600000000 ] - [ -0.0002996000000000, 0.0002147900000000, -0.0003274000000000 ] - [ 0.0001567300000000, 0.0003338200000000, -0.0010653000000000 ] - [ -0.0002668600000000, 0.0000257200000000, 0.0003354100000000 ] - [ 0.0004449300000000, -0.0002513500000000, -0.0025447100000000 ] - [ 0.0000543300000000, -0.0003450600000000, -0.0002536100000000 ] - [ -0.0002669300000000, -0.0049019700000000, -0.0063941500000000 ] - [ 0.0004530400000000, -0.0001569400000000, 0.0000892000000000 ] - [ -0.0005198600000000, 0.0004070900000000, 0.0001844700000000 ] - [ -0.0001920400000000, -0.0002068100000000, -0.0002961400000000 ] - [ -0.0011716500000000, 0.0006080200000000, 0.0031648000000000 ] - [ -0.0001186600000000, -0.0000230300000000, 0.0003376500000000 ] - [ 0.0003826000000000, 0.0006066900000000, -0.0027759900000000 ] - [ -0.0003134800000000, 0.0001599400000000, 0.0004741800000000 ] - [ -0.0001672600000000, -0.0006754100000000, 0.0009529000000000 ] - [ 0.0005841400000000, 0.0001635800000000, 0.0000561400000000 ] - [ 0.0008170200000000, -0.0002540400000000, 0.0000674500000000 ] - [ 0.0003575400000000, 0.0000018800000000, 0.0003479200000000 ] - [ -0.0002247800000000, 0.0003179700000000, -0.0003498200000000 ] - [ -0.0001144900000000, 0.0001661300000000, -0.0002828400000000 ] - [ -0.0004157300000000, -0.0000733500000000, 0.0008955100000000 ] - [ -0.0001528400000000, -0.0001477900000000, 0.0004451200000000 ] - [ 0.0000152100000000, 0.0006421100000000, 0.0008289000000000 ] - [ 0.0006014400000000, 0.0000598900000000, 0.0002480400000000 ] - [ 0.0004809500000000, 0.0003267700000000, 0.0005584500000000 ] - [ -0.0001717800000000, 0.0002979900000000, 0.0009722400000000 ] - [ 0.0010005700000000, -0.0016999900000000, 0.0007453500000000 ] - [ -0.0000627300000000, -0.0001095000000000, -0.0000866500000000 ] - [ -0.0009010000000000, -0.0002623300000000, -0.0007399400000000 ] - [ -0.0009200000000000, 0.0000583900000000, -0.0008450900000000 ] - [ 0.0003478600000000, 0.0001358700000000, -0.0006931600000000 ] - [ -0.0002444300000000, 0.0004946600000000, -0.0003336900000000 ] - [ -0.0000221400000000, -0.0002265500000000, 0.0001723600000000 ] - [ 0.0002099800000000, -0.0000483700000000, -0.0004537600000000 ] - [ -0.0004199000000000, 0.0000747400000000, -0.0000591100000000 ] - [ -0.0002941500000000, -0.0002197300000000, 0.0000183700000000 ] - [ -0.0005233200000000, -0.0001640400000000, -0.0001425900000000 ] - [ -0.0006166000000000, -0.0003124100000000, -0.0006613100000000 ] - [ 0.0001131800000000, -0.0001406500000000, -0.0001530700000000 ] - [ 0.0012097400000000, -0.0007011100000000, 0.0004403400000000 ] - [ 0.0002749600000000, 0.0000211000000000, -0.0003960900000000 ] - [ -0.0017161400000000, -0.0018758700000000, 0.0001373900000000 ] - [ 0.0001542500000000, 0.0001769200000000, 0.0002395000000000 ] - [ -0.0013526200000000, 0.0024953500000000, -0.0009888200000000 ] - [ -0.0004052100000000, 0.0001043200000000, 0.0000480800000000 ] - [ -0.0002941900000000, 0.0009557400000000, 0.0008134200000000 ] - [ -0.0001381900000000, 0.0003788500000000, 0.0001820400000000 ] - [ 0.0017789300000000, 0.0015578500000000, -0.0019982800000000 ] - [ 0.0001956400000000, -0.0000264700000000, -0.0002647600000000 ] - [ 0.0003546900000000, 0.0002099900000000, -0.0003523700000000 ] - [ 0.0003634200000000, -0.0001818100000000, 0.0004162500000000 ] - [ 0.0004996600000000, -0.0007212800000000, 0.0014757800000000 ] - [ 0.0000148400000000, -0.0003466800000000, 0.0002776200000000 ] - [ -0.0001761000000000, -0.0002516100000000, 0.0007037400000000 ]- atom: 5 displacement: [ 0.0099997439015081, 0.0000000000000000, 0.0000715674804079 ] forces: - [ -0.0004417000000000, 0.0002412800000000, -0.0003585900000000 ] - [ 0.0002648700000000, 0.0003487300000000, 0.0000693100000000 ] - [ -0.0015438600000000, -0.0008393400000000, -0.0004755600000000 ] - [ 0.0002570200000000, 0.0001596600000000, 0.0000503800000000 ] - [ -0.0299445800000000, 0.0027655900000000, 0.0014567300000000 ] - [ 0.0005562800000000, -0.0001437900000000, 0.0001206900000000 ] - [ -0.0012100700000000, -0.0012086700000000, -0.0003105300000000 ] - [ 0.0002984800000000, -0.0003348600000000, 0.0000263400000000 ] - [ -0.0019320900000000, -0.0029339400000000, 0.0022349000000000 ] - [ 0.0004234000000000, 0.0000262700000000, 0.0002521600000000 ] - [ -0.0004574200000000, -0.0001853800000000, -0.0003251800000000 ] - [ 0.0002169600000000, -0.0001422100000000, 0.0000862800000000 ] - [ -0.0000437600000000, 0.0000613400000000, -0.0001390300000000 ] - [ 0.0005028300000000, 0.0000467700000000, -0.0001384800000000 ] - [ -0.0003076100000000, 0.0002393700000000, -0.0007501300000000 ] - [ 0.0004585500000000, 0.0001379100000000, 0.0002412200000000 ] - [ 0.0004663300000000, 0.0006948200000000, 0.0005039100000000 ] - [ 0.0007662400000000, 0.0002174200000000, 0.0002898800000000 ] - [ 0.0011218000000000, 0.0035308900000000, 0.0000209700000000 ] - [ 0.0004792800000000, -0.0001596300000000, 0.0003683100000000 ] - [ -0.0001024700000000, 0.0006429000000000, -0.0006407800000000 ] - [ 0.0004026000000000, -0.0000718600000000, 0.0003618200000000 ] - [ -0.0004341300000000, 0.0003312400000000, -0.0003298700000000 ] - [ -0.0001487100000000, 0.0003451200000000, -0.0003654100000000 ] - [ 0.0000890300000000, -0.0000896200000000, -0.0003132200000000 ] - [ 0.0004439700000000, -0.0000629900000000, -0.0000838100000000 ] - [ 0.0050471700000000, 0.0004607800000000, 0.0023629600000000 ] - [ 0.0010081300000000, 0.0003011200000000, 0.0003162500000000 ] - [ 0.0007223300000000, -0.0008812400000000, 0.0000237600000000 ] - [ 0.0008221600000000, -0.0001592000000000, 0.0003852800000000 ] - [ -0.0000197800000000, -0.0001176700000000, -0.0002071900000000 ] - [ -0.0000606100000000, 0.0001326600000000, -0.0003355800000000 ] - [ -0.0001506200000000, -0.0001340800000000, 0.0001570500000000 ] - [ 0.0003208100000000, 0.0001096500000000, 0.0004238900000000 ] - [ -0.0000206800000000, -0.0003394000000000, 0.0001106300000000 ] - [ -0.0001726000000000, 0.0005948300000000, -0.0002539200000000 ] - [ -0.0003193200000000, -0.0003381800000000, -0.0004611600000000 ] - [ -0.0001136300000000, -0.0004235100000000, -0.0002473200000000 ] - [ 0.0000344600000000, 0.0000685700000000, 0.0005013600000000 ] - [ -0.0001161800000000, 0.0000831600000000, -0.0000307300000000 ] - [ 0.0004895300000000, -0.0003704600000000, 0.0000987300000000 ] - [ 0.0006504600000000, -0.0002936200000000, 0.0007125300000000 ] - [ 0.0000556200000000, 0.0000399700000000, -0.0000635000000000 ] - [ 0.0000175400000000, -0.0003938500000000, -0.0004631800000000 ] - [ 0.0002385300000000, 0.0002843100000000, -0.0002719500000000 ] - [ 0.0003768900000000, -0.0007336000000000, -0.0001407500000000 ] - [ -0.0003803800000000, -0.0000876900000000, -0.0003350000000000 ] - [ -0.0003493500000000, -0.0004410000000000, 0.0000225500000000 ] - [ 0.0000160400000000, -0.0001589200000000, 0.0000351300000000 ] - [ -0.0003717700000000, -0.0001510800000000, -0.0002433800000000 ] - [ 0.0004296300000000, -0.0001261300000000, 0.0001434300000000 ] - [ 0.0049899100000000, 0.0002157700000000, 0.0023045900000000 ] - [ 0.0002763300000000, 0.0000531600000000, 0.0001796100000000 ] - [ -0.0002389200000000, 0.0005810300000000, -0.0005014100000000 ] - [ 0.0000751600000000, -0.0000145800000000, -0.0002115600000000 ] - [ -0.0002109200000000, 0.0004693800000000, 0.0000404800000000 ] - [ 0.0002897600000000, 0.0002568400000000, 0.0000643000000000 ] - [ 0.0006214100000000, 0.0036975500000000, -0.0005178600000000 ] - [ 0.0000725200000000, 0.0001465200000000, -0.0000424300000000 ] - [ -0.0005296900000000, 0.0000208000000000, -0.0000740000000000 ] - [ 0.0003030100000000, -0.0000749500000000, 0.0000632100000000 ] - [ -0.0011425300000000, -0.0034885100000000, 0.0021579400000000 ] - [ 0.0001678400000000, -0.0003088400000000, 0.0001045100000000 ] - [ -0.0004552500000000, -0.0004638100000000, -0.0000886600000000 ] - [ -0.0003786900000000, -0.0006186700000000, -0.0003173800000000 ] - [ 0.0006735300000000, -0.0004959200000000, -0.0000000100000000 ] - [ -0.0003771100000000, 0.0004648000000000, -0.0004958300000000 ] - [ 0.0006441200000000, 0.0005145800000000, 0.0000100100000000 ] - [ -0.0033959400000000, -0.0011226600000000, 0.0029439100000000 ] - [ 0.0008293400000000, -0.0006191700000000, 0.0003514900000000 ] - [ 0.0059411900000000, -0.0018726100000000, -0.0089332400000000 ] - [ 0.0010005500000000, 0.0009318400000000, 0.0005061600000000 ] - [ 0.0001967600000000, -0.0007747700000000, 0.0000339400000000 ] - [ -0.0004389200000000, -0.0004758800000000, -0.0004518000000000 ] - [ 0.0001003400000000, 0.0007868700000000, -0.0001160300000000 ] - [ -0.0006421000000000, 0.0003250700000000, -0.0000285000000000 ] - [ 0.0005759400000000, -0.0002777800000000, 0.0004939000000000 ] - [ 0.0048372900000000, -0.0020351600000000, -0.0087634300000000 ] - [ 0.0004187300000000, 0.0005399400000000, 0.0003057700000000 ] - [ -0.0041707400000000, 0.0005885600000000, 0.0031566100000000 ] - [ 0.0006492000000000, 0.0003325300000000, 0.0000328800000000 ] - [ -0.0003004700000000, 0.0003328300000000, -0.0004044800000000 ] - [ 0.0041758200000000, 0.0001007300000000, 0.0003058800000000 ] - [ -0.0010834700000000, 0.0001897500000000, -0.0005997100000000 ] - [ 0.0008886500000000, 0.0001195000000000, 0.0004839300000000 ] - [ -0.0006032600000000, 0.0000215300000000, 0.0002555500000000 ] - [ 0.0013977300000000, -0.0006216100000000, 0.0001315500000000 ] - [ -0.0003478900000000, -0.0002979900000000, -0.0003761900000000 ] - [ 0.0010842100000000, -0.0002132500000000, 0.0002991400000000 ] - [ 0.0001340900000000, -0.0000898700000000, -0.0000468700000000 ] - [ 0.0041751200000000, -0.0001796800000000, -0.0002512500000000 ] - [ -0.0010843000000000, -0.0002603500000000, -0.0006023400000000 ] - [ 0.0003216000000000, -0.0001290800000000, 0.0006757900000000 ] - [ -0.0005487100000000, 0.0000115200000000, 0.0001914000000000 ] - [ 0.0036695900000000, 0.0006231100000000, 0.0010670800000000 ] - [ -0.0007555800000000, 0.0002295200000000, 0.0004683000000000 ] - [ 0.0009639200000000, 0.0005026500000000, 0.0003452500000000 ] - [ 0.0001218800000000, 0.0000822700000000, -0.0000774600000000 ] - [ 0.0011879500000000, 0.0002355200000000, -0.0008442900000000 ] - [ -0.0000580900000000, 0.0000171800000000, 0.0001750700000000 ] - [ 0.0006910900000000, 0.0019285900000000, 0.0002049500000000 ] - [ -0.0006820100000000, -0.0000165100000000, -0.0003719200000000 ] - [ -0.0002449900000000, 0.0003694900000000, 0.0020679100000000 ] - [ -0.0006726600000000, -0.0003129300000000, 0.0002065800000000 ] - [ -0.0020128300000000, -0.0007719100000000, 0.0023585100000000 ] - [ -0.0006843600000000, 0.0000122600000000, -0.0001241300000000 ] - [ -0.0000948900000000, 0.0000270300000000, 0.0001269500000000 ] - [ 0.0001788700000000, 0.0003158500000000, 0.0001955600000000 ] - [ 0.0007450600000000, -0.0000970100000000, -0.0002195900000000 ] - [ -0.0005105500000000, -0.0000914000000000, -0.0004156600000000 ] - [ -0.0006265700000000, -0.0002634600000000, -0.0004478000000000 ] - [ -0.0007171600000000, 0.0002139500000000, -0.0001718200000000 ] - [ -0.0000009000000000, 0.0004570100000000, -0.0007486600000000 ] - [ 0.0002096000000000, -0.0000610100000000, -0.0002372100000000 ] - [ -0.0002956500000000, 0.0001218300000000, 0.0001539700000000 ] - [ -0.0001348600000000, -0.0006851100000000, 0.0001624200000000 ] - [ -0.0005328300000000, 0.0000832700000000, -0.0002604500000000 ] - [ -0.0005353000000000, -0.0000101100000000, -0.0004578200000000 ] - [ -0.0015951000000000, -0.0001409300000000, -0.0005065500000000 ] - [ -0.0025995400000000, -0.0010650000000000, 0.0018709000000000 ] - [ -0.0000541500000000, -0.0003592100000000, -0.0003865300000000 ] - [ 0.0002588700000000, 0.0004096300000000, -0.0008496600000000 ] - [ -0.0002257500000000, -0.0001005100000000, -0.0005968600000000 ] - [ 0.0002350100000000, 0.0004100900000000, 0.0013138300000000 ] - [ -0.0002536800000000, 0.0002091400000000, 0.0001363200000000 ] - [ 0.0008367000000000, 0.0004315000000000, 0.0005620700000000 ] - [ -0.0010395800000000, 0.0002031800000000, -0.0001344000000000 ] - [ 0.0001436600000000, 0.0002878600000000, -0.0017606800000000 ] - [ -0.0006398100000000, 0.0002131800000000, 0.0000622500000000 ] - [ 0.0034565500000000, 0.0003814400000000, -0.0000870900000000 ] - [ -0.0003161500000000, 0.0000475000000000, -0.0003303000000000 ] - [ 0.0041295000000000, 0.0004499300000000, 0.0002135100000000 ] - [ -0.0001848700000000, -0.0002089100000000, 0.0001876600000000 ] - [ 0.0009686600000000, -0.0002357700000000, 0.0004993200000000 ] - [ -0.0004324300000000, -0.0002993800000000, 0.0000650000000000 ] - [ 0.0008765200000000, -0.0003521800000000, 0.0002237200000000 ]- atom: 5 displacement: [ -0.0099997439015081, 0.0000000000000000, -0.0000715674804079 ] forces: - [ 0.0005256100000000, 0.0004616000000000, 0.0003238400000000 ] - [ -0.0001800600000000, 0.0003530900000000, -0.0001051500000000 ] - [ 0.0015276300000000, 0.0011291300000000, 0.0004419600000000 ] - [ -0.0002693400000000, 0.0001132100000000, -0.0000885500000000 ] - [ 0.0301993300000000, -0.0029922300000000, -0.0012787700000000 ] - [ -0.0002256500000000, -0.0001461400000000, 0.0000252700000000 ] - [ 0.0013004500000000, 0.0004916800000000, 0.0002715800000000 ] - [ -0.0002135000000000, -0.0003670700000000, -0.0000620100000000 ] - [ 0.0022316400000000, 0.0028414700000000, -0.0018098100000000 ] - [ -0.0001511000000000, -0.0001056200000000, 0.0001597800000000 ] - [ 0.0004463500000000, -0.0000889600000000, 0.0002859100000000 ] - [ -0.0002289300000000, -0.0001308800000000, -0.0001242400000000 ] - [ 0.0005480700000000, 0.0000582400000000, -0.0002157800000000 ] - [ -0.0000002500000000, 0.0000736500000000, -0.0002164900000000 ] - [ 0.0006384400000000, 0.0000507400000000, 0.0008953200000000 ] - [ -0.0001278700000000, 0.0001521800000000, -0.0000953300000000 ] - [ 0.0006610600000000, -0.0001443900000000, -0.0000181800000000 ] - [ 0.0003588200000000, 0.0003328400000000, 0.0001962200000000 ] - [ -0.0008592600000000, -0.0036064600000000, 0.0006132600000000 ] - [ -0.0002220700000000, 0.0001095600000000, 0.0002640900000000 ] - [ 0.0003774900000000, -0.0005645700000000, 0.0010560300000000 ] - [ -0.0001306500000000, 0.0001512400000000, 0.0000509800000000 ] - [ -0.0001992600000000, 0.0003578300000000, -0.0004052600000000 ] - [ -0.0004866200000000, 0.0003434000000000, -0.0003703300000000 ] - [ 0.0004143500000000, -0.0000305100000000, -0.0000414000000000 ] - [ 0.0000583000000000, -0.0000573100000000, -0.0002712300000000 ] - [ -0.0044668500000000, 0.0002267200000000, -0.0016544500000000 ] - [ -0.0003704700000000, 0.0003859700000000, 0.0004176600000000 ] - [ 0.0004031200000000, 0.0003323500000000, 0.0004643200000000 ] - [ 0.0003027400000000, -0.0003903400000000, 0.0001015200000000 ] - [ -0.0002364800000000, 0.0000693000000000, -0.0004253600000000 ] - [ -0.0001970500000000, -0.0001814700000000, -0.0002989700000000 ] - [ 0.0004086600000000, 0.0001829800000000, 0.0004767400000000 ] - [ -0.0000642300000000, -0.0000601200000000, 0.0002084900000000 ] - [ -0.0011056000000000, 0.0008943700000000, -0.0005971100000000 ] - [ -0.0009520000000000, -0.0000407300000000, -0.0002328800000000 ] - [ -0.0003144000000000, -0.0003513300000000, -0.0002736800000000 ] - [ -0.0005221800000000, -0.0002649000000000, -0.0004878800000000 ] - [ -0.0005366500000000, 0.0000513800000000, -0.0001480500000000 ] - [ -0.0003871400000000, 0.0000366500000000, 0.0003824800000000 ] - [ 0.0001458900000000, -0.0003176500000000, 0.0006392300000000 ] - [ -0.0000166100000000, -0.0003942400000000, 0.0000244400000000 ] - [ -0.0003267700000000, -0.0001204700000000, -0.0003490500000000 ] - [ -0.0002911200000000, 0.0003147400000000, 0.0000517000000000 ] - [ -0.0004963800000000, -0.0002378200000000, -0.0003607300000000 ] - [ -0.0006320200000000, 0.0007776100000000, -0.0004917900000000 ] - [ -0.0007450000000000, -0.0004639500000000, -0.0001492400000000 ] - [ -0.0007772800000000, -0.0001109300000000, -0.0005088400000000 ] - [ -0.0003464200000000, -0.0001310500000000, -0.0001811500000000 ] - [ 0.0000406400000000, -0.0001388100000000, 0.0000970700000000 ] - [ -0.0009351700000000, 0.0000074500000000, 0.0002125000000000 ] - [ -0.0054318900000000, -0.0003324500000000, -0.0019194900000000 ] - [ -0.0002643400000000, 0.0002210900000000, -0.0001418100000000 ] - [ 0.0002487000000000, -0.0003060400000000, 0.0005369900000000 ] - [ -0.0003465700000000, 0.0000948600000000, -0.0002002200000000 ] - [ -0.0000626900000000, -0.0003893600000000, -0.0004526700000000 ] - [ -0.0003745800000000, 0.0004464100000000, -0.0000284000000000 ] - [ -0.0007137400000000, -0.0029735600000000, 0.0005519100000000 ] - [ -0.0004031300000000, 0.0001434600000000, -0.0001034300000000 ] - [ 0.0001981100000000, 0.0002693600000000, -0.0000719400000000 ] - [ -0.0002914000000000, -0.0001992700000000, -0.0000248700000000 ] - [ 0.0011280200000000, 0.0032136700000000, -0.0021210600000000 ] - [ -0.0002523000000000, -0.0003938600000000, -0.0000685100000000 ] - [ 0.0003692600000000, -0.0002376700000000, 0.0001231100000000 ] - [ 0.0008358800000000, -0.0003975200000000, 0.0000248800000000 ] - [ -0.0002143000000000, -0.0005204100000000, -0.0002939700000000 ] - [ 0.0008355700000000, 0.0005514600000000, 0.0002006200000000 ] - [ -0.0001849700000000, 0.0005018300000000, -0.0003041300000000 ] - [ 0.0038211800000000, -0.0001960800000000, -0.0025928400000000 ] - [ -0.0004237600000000, -0.0006933700000000, -0.0000265200000000 ] - [ -0.0055860100000000, 0.0032343700000000, 0.0093685200000000 ] - [ -0.0005924500000000, 0.0003828700000000, -0.0001790600000000 ] - [ -0.0006023800000000, -0.0005371400000000, -0.0003590700000000 ] - [ 0.0000309200000000, -0.0008348700000000, 0.0001255100000000 ] - [ -0.0005056700000000, 0.0005245300000000, -0.0002081600000000 ] - [ 0.0002350100000000, 0.0009862100000000, -0.0002986100000000 ] - [ -0.0010362500000000, -0.0007405300000000, -0.0002017500000000 ] - [ -0.0052490700000000, 0.0009787600000000, 0.0089520500000000 ] - [ -0.0008773200000000, 0.0004774400000000, -0.0000116900000000 ] - [ 0.0036856100000000, 0.0004299900000000, -0.0028965900000000 ] - [ -0.0005466200000000, 0.0003392600000000, -0.0005277600000000 ] - [ 0.0004021000000000, 0.0003397000000000, -0.0000885200000000 ] - [ -0.0047028900000000, 0.0003164400000000, -0.0009628800000000 ] - [ 0.0005441700000000, 0.0002314600000000, -0.0000404400000000 ] - [ -0.0013164400000000, -0.0000701500000000, 0.0001672700000000 ] - [ 0.0001723500000000, 0.0000247600000000, 0.0003965500000000 ] - [ -0.0012995600000000, -0.0000533400000000, -0.0006239700000000 ] - [ 0.0004492400000000, -0.0003747900000000, -0.0001164300000000 ] - [ -0.0000718400000000, -0.0001253600000000, -0.0001637200000000 ] - [ 0.0008784200000000, -0.0002463200000000, 0.0001835800000000 ] - [ -0.0047297400000000, -0.0002376500000000, -0.0003593900000000 ] - [ 0.0005424000000000, -0.0001609600000000, -0.0000394400000000 ] - [ -0.0007528300000000, 0.0000824500000000, -0.0000240400000000 ] - [ 0.0001174300000000, -0.0000575200000000, 0.0004605500000000 ] - [ -0.0041781000000000, -0.0003424400000000, -0.0002351200000000 ] - [ 0.0003055800000000, 0.0001196700000000, 0.0004561300000000 ] - [ 0.0000473100000000, -0.0001644500000000, -0.0002079900000000 ] - [ 0.0008904400000000, 0.0002535600000000, 0.0002136900000000 ] - [ -0.0002761400000000, -0.0002209300000000, 0.0014306600000000 ] - [ 0.0009766700000000, -0.0000026500000000, 0.0004090900000000 ] - [ -0.0010609000000000, -0.0015564500000000, -0.0005895200000000 ] - [ 0.0004642300000000, 0.0002888000000000, -0.0000527300000000 ] - [ -0.0002092100000000, -0.0007196700000000, -0.0011464300000000 ] - [ 0.0002225400000000, -0.0000362600000000, 0.0007162400000000 ] - [ 0.0029527600000000, 0.0007623300000000, -0.0017994300000000 ] - [ 0.0015961800000000, -0.0000244400000000, 0.0007053000000000 ] - [ 0.0003097200000000, 0.0002466800000000, 0.0002960000000000 ] - [ 0.0000387000000000, -0.0000410800000000, 0.0002305600000000 ] - [ -0.0009622800000000, -0.0001763300000000, -0.0002116300000000 ] - [ 0.0002946700000000, -0.0001815800000000, -0.0000084300000000 ] - [ -0.0002939200000000, 0.0002783900000000, -0.0001350900000000 ] - [ -0.0002003800000000, -0.0001998300000000, -0.0004107800000000 ] - [ 0.0004503800000000, -0.0001099800000000, -0.0001753400000000 ] - [ 0.0002415400000000, 0.0004073700000000, -0.0006853800000000 ] - [ 0.0005110000000000, -0.0003958900000000, 0.0002695000000000 ] - [ 0.0003525400000000, 0.0004093800000000, 0.0002607300000000 ] - [ -0.0003877700000000, -0.0000971800000000, -0.0003236600000000 ] - [ -0.0003814600000000, -0.0000043600000000, -0.0001239300000000 ] - [ 0.0005880100000000, -0.0001992200000000, 0.0003721300000000 ] - [ 0.0015681800000000, 0.0007230800000000, -0.0019838600000000 ] - [ 0.0005042000000000, 0.0000122600000000, -0.0005385500000000 ] - [ 0.0001935700000000, -0.0007579100000000, -0.0000736200000000 ] - [ 0.0006565700000000, 0.0001487800000000, -0.0000536600000000 ] - [ 0.0001985200000000, -0.0003595400000000, -0.0019639000000000 ] - [ 0.0007939100000000, 0.0002120500000000, 0.0005044900000000 ] - [ -0.0002938200000000, -0.0000114000000000, 0.0000790500000000 ] - [ 0.0000279600000000, 0.0001330000000000, -0.0000028300000000 ] - [ -0.0011467500000000, 0.0000472500000000, 0.0016190000000000 ] - [ 0.0005397000000000, 0.0004601500000000, 0.0004321500000000 ] - [ -0.0033244000000000, 0.0001325600000000, 0.0004951400000000 ] - [ 0.0007468300000000, -0.0000958400000000, -0.0003216400000000 ] - [ -0.0036434600000000, -0.0004209600000000, -0.0007872200000000 ] - [ 0.0007248700000000, -0.0002118200000000, 0.0004527600000000 ] - [ -0.0004273600000000, -0.0001844900000000, 0.0001425500000000 ] - [ 0.0003305700000000, -0.0003742700000000, 0.0004278800000000 ] - [ -0.0009770400000000, -0.0003199100000000, 0.0002788100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001010600000000, 0.0005352600000000, 0.0004090800000000 ] - [ 0.0000522000000000, 0.0003573900000000, -0.0000176200000000 ] - [ -0.0004766700000000, 0.0046679500000000, 0.0018112000000000 ] - [ 0.0000004200000000, 0.0001466700000000, -0.0000164800000000 ] - [ 0.0030186700000000, -0.0271920900000000, -0.0003455000000000 ] - [ 0.0001665400000000, -0.0001715100000000, 0.0000637300000000 ] - [ -0.0007365700000000, 0.0036601300000000, 0.0013716800000000 ] - [ 0.0000533900000000, -0.0003380400000000, -0.0000168100000000 ] - [ -0.0020640500000000, 0.0045025200000000, -0.0057105600000000 ] - [ 0.0001521100000000, -0.0000483300000000, 0.0002071200000000 ] - [ -0.0001168700000000, 0.0001251300000000, 0.0003257200000000 ] - [ 0.0000035100000000, -0.0001204700000000, -0.0000152100000000 ] - [ 0.0002020300000000, 0.0008241900000000, -0.0001162500000000 ] - [ 0.0002560000000000, 0.0000988600000000, -0.0001754200000000 ] - [ 0.0000688900000000, -0.0001474200000000, 0.0003678700000000 ] - [ 0.0001723900000000, 0.0001171900000000, 0.0000863900000000 ] - [ 0.0008536600000000, 0.0006903700000000, 0.0007452700000000 ] - [ 0.0005173800000000, 0.0002796700000000, 0.0002314300000000 ] - [ 0.0031198500000000, 0.0022527200000000, -0.0001600100000000 ] - [ 0.0000382600000000, -0.0000245500000000, 0.0003136800000000 ] - [ 0.0003876300000000, -0.0001562600000000, -0.0001789300000000 ] - [ 0.0001095100000000, 0.0000157000000000, 0.0001903800000000 ] - [ -0.0003111700000000, 0.0005765200000000, -0.0003944400000000 ] - [ -0.0003175600000000, 0.0004072500000000, -0.0003646800000000 ] - [ 0.0002456700000000, 0.0001126100000000, -0.0001267400000000 ] - [ 0.0002415000000000, -0.0000214800000000, -0.0001907000000000 ] - [ 0.0006664000000000, -0.0009929100000000, 0.0001401000000000 ] - [ 0.0002272200000000, 0.0002137100000000, 0.0003664300000000 ] - [ 0.0001802700000000, 0.0001216100000000, 0.0004029400000000 ] - [ 0.0007221700000000, -0.0002314400000000, 0.0002826200000000 ] - [ -0.0001933200000000, -0.0000052000000000, -0.0003817800000000 ] - [ -0.0000563700000000, 0.0000766600000000, -0.0001729900000000 ] - [ 0.0001132800000000, 0.0000369200000000, 0.0000909100000000 ] - [ 0.0001706700000000, 0.0000397900000000, 0.0003503900000000 ] - [ -0.0010658200000000, 0.0004073700000000, -0.0004551000000000 ] - [ -0.0003188300000000, 0.0002361300000000, -0.0002956600000000 ] - [ -0.0002589100000000, -0.0001367300000000, -0.0004066200000000 ] - [ -0.0003636800000000, -0.0001608800000000, -0.0003438800000000 ] - [ -0.0001925300000000, -0.0000773800000000, 0.0002397000000000 ] - [ -0.0002718200000000, -0.0000861400000000, 0.0002458800000000 ] - [ 0.0002767600000000, -0.0004899400000000, 0.0004066400000000 ] - [ 0.0004266700000000, -0.0004798400000000, 0.0004629900000000 ] - [ 0.0000152200000000, 0.0000154600000000, -0.0001513000000000 ] - [ -0.0003667000000000, 0.0001875400000000, -0.0000736200000000 ] - [ 0.0001067200000000, 0.0000181700000000, -0.0003608900000000 ] - [ -0.0007130900000000, 0.0003566900000000, -0.0004068900000000 ] - [ -0.0004983300000000, -0.0002948900000000, -0.0001474100000000 ] - [ -0.0007516600000000, -0.0003801900000000, -0.0004566100000000 ] - [ -0.0001514200000000, -0.0001007200000000, -0.0000847200000000 ] - [ -0.0001585600000000, 0.0000317300000000, -0.0000913000000000 ] - [ -0.0003380700000000, -0.0001863800000000, 0.0001722400000000 ] - [ 0.0002693100000000, -0.0015138000000000, -0.0000111000000000 ] - [ -0.0000357200000000, 0.0001273600000000, -0.0000145800000000 ] - [ 0.0001607900000000, 0.0000744100000000, -0.0002320700000000 ] - [ -0.0002071900000000, 0.0000760900000000, -0.0001933500000000 ] - [ 0.0002266900000000, 0.0007159800000000, 0.0002277600000000 ] - [ -0.0001231000000000, 0.0003470300000000, 0.0000095600000000 ] - [ 0.0027112500000000, 0.0029346700000000, -0.0008243100000000 ] - [ -0.0001640400000000, 0.0001845300000000, -0.0000625000000000 ] - [ -0.0002887300000000, 0.0009319100000000, 0.0000437900000000 ] - [ 0.0000269700000000, -0.0001538500000000, 0.0000234500000000 ] - [ -0.0028311700000000, 0.0036335400000000, -0.0045249800000000 ] - [ -0.0000057100000000, -0.0003677400000000, 0.0000455800000000 ] - [ -0.0000210700000000, -0.0004639900000000, -0.0002389900000000 ] - [ 0.0004005700000000, 0.0008080400000000, -0.0008696500000000 ] - [ 0.0002341700000000, -0.0004606100000000, -0.0001459000000000 ] - [ 0.0005145000000000, 0.0017903700000000, -0.0011473500000000 ] - [ 0.0002478300000000, 0.0005538600000000, -0.0001412800000000 ] - [ 0.0004414300000000, -0.0032843000000000, 0.0028849900000000 ] - [ 0.0002273100000000, -0.0007410000000000, 0.0001851800000000 ] - [ -0.0032305600000000, -0.0019259400000000, 0.0031396800000000 ] - [ 0.0001935900000000, 0.0005181100000000, 0.0001292900000000 ] - [ -0.0000887300000000, -0.0002346500000000, -0.0001289400000000 ] - [ -0.0001605000000000, -0.0000943200000000, -0.0004728200000000 ] - [ -0.0002308300000000, 0.0008340300000000, -0.0001160600000000 ] - [ -0.0001314100000000, 0.0011782000000000, -0.0004765000000000 ] - [ -0.0002490200000000, -0.0006360500000000, 0.0001242800000000 ] - [ -0.0025433400000000, -0.0033679100000000, 0.0026138900000000 ] - [ -0.0002184700000000, 0.0004473800000000, 0.0001640700000000 ] - [ 0.0005358200000000, -0.0015278800000000, 0.0044666400000000 ] - [ -0.0000407600000000, -0.0001657600000000, -0.0000043000000000 ] - [ 0.0000483700000000, 0.0002951500000000, -0.0002554200000000 ] - [ 0.0003444600000000, 0.0031910500000000, -0.0024631900000000 ] - [ -0.0002761800000000, 0.0002654500000000, -0.0003204300000000 ] - [ -0.0004881600000000, -0.0020366500000000, 0.0010013200000000 ] - [ -0.0002111000000000, -0.0000161700000000, 0.0003360900000000 ] - [ -0.0003502200000000, -0.0026351900000000, 0.0008509000000000 ] - [ 0.0000605300000000, -0.0003716400000000, -0.0002384200000000 ] - [ 0.0005561200000000, -0.0014533400000000, -0.0001837800000000 ] - [ 0.0005142100000000, -0.0002081100000000, 0.0000699000000000 ] - [ 0.0004601000000000, 0.0024020900000000, -0.0022557900000000 ] - [ -0.0002739400000000, -0.0001517000000000, -0.0003195900000000 ] - [ -0.0003307600000000, -0.0003628000000000, 0.0005710000000000 ] - [ -0.0002191800000000, -0.0000554200000000, 0.0003203000000000 ] - [ -0.0001580600000000, 0.0028080400000000, 0.0007013300000000 ] - [ -0.0001960700000000, 0.0002318200000000, 0.0004428800000000 ] - [ 0.0004485100000000, -0.0010817700000000, -0.0000529600000000 ] - [ 0.0004802100000000, 0.0000939100000000, 0.0000590800000000 ] - [ 0.0005482300000000, 0.0016229900000000, 0.0007218600000000 ] - [ 0.0004133100000000, 0.0000847600000000, 0.0002551400000000 ] - [ 0.0011589200000000, 0.0019526700000000, -0.0002744300000000 ] - [ -0.0001566100000000, 0.0002227400000000, -0.0002195700000000 ] - [ 0.0002489400000000, 0.0000451000000000, -0.0002803800000000 ] - [ -0.0003163800000000, -0.0000932500000000, 0.0004497600000000 ] - [ 0.0002324800000000, 0.0016499100000000, 0.0007393900000000 ] - [ 0.0005033500000000, 0.0001958100000000, 0.0003518600000000 ] - [ -0.0000087400000000, -0.0000255800000000, 0.0000602100000000 ] - [ 0.0001666300000000, -0.0000287000000000, 0.0003031700000000 ] - [ -0.0000427400000000, 0.0002486400000000, -0.0009869300000000 ] - [ -0.0000983000000000, -0.0000600200000000, -0.0002013500000000 ] - [ -0.0007669400000000, -0.0004680100000000, -0.0003730700000000 ] - [ -0.0004270800000000, -0.0004488400000000, -0.0003234000000000 ] - [ 0.0003237000000000, -0.0001403500000000, -0.0003786200000000 ] - [ 0.0001645600000000, -0.0000509600000000, -0.0004100500000000 ] - [ 0.0002508900000000, -0.0004511100000000, 0.0002933700000000 ] - [ -0.0004663900000000, -0.0009471800000000, 0.0002512600000000 ] - [ -0.0003899700000000, -0.0001834500000000, -0.0003153500000000 ] - [ -0.0004849000000000, -0.0004537000000000, -0.0003517100000000 ] - [ -0.0004320500000000, 0.0000466400000000, -0.0000111400000000 ] - [ -0.0007627400000000, 0.0012647200000000, 0.0002744000000000 ] - [ 0.0001875600000000, -0.0002734600000000, -0.0004630100000000 ] - [ 0.0006649600000000, -0.0009320200000000, 0.0000106600000000 ] - [ 0.0001433600000000, 0.0001120000000000, -0.0003280000000000 ] - [ 0.0006023300000000, 0.0003948400000000, -0.0010325300000000 ] - [ 0.0002342000000000, 0.0000917300000000, 0.0003116900000000 ] - [ 0.0002390100000000, -0.0005331800000000, 0.0003769400000000 ] - [ -0.0005217300000000, 0.0002546600000000, -0.0000892900000000 ] - [ -0.0006217700000000, 0.0018593100000000, 0.0001102100000000 ] - [ -0.0000950200000000, 0.0004278100000000, 0.0002299100000000 ] - [ -0.0003882200000000, 0.0031763700000000, 0.0006516600000000 ] - [ 0.0002480400000000, 0.0000191800000000, -0.0003403300000000 ] - [ 0.0003112000000000, 0.0026364800000000, 0.0003239400000000 ] - [ 0.0002537900000000, -0.0002791000000000, 0.0003003100000000 ] - [ 0.0003723500000000, -0.0008990500000000, 0.0004625700000000 ] - [ -0.0000424200000000, -0.0002895200000000, 0.0002510800000000 ] - [ -0.0000164300000000, -0.0001503800000000, -0.0006932100000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001863800000000, 0.0001700600000000, -0.0004473600000000 ] - [ 0.0000325800000000, 0.0003453300000000, -0.0000182000000000 ] - [ 0.0004711000000000, -0.0044397300000000, -0.0018724500000000 ] - [ -0.0000126900000000, 0.0001271500000000, -0.0000215700000000 ] - [ -0.0027419500000000, 0.0268522100000000, 0.0005264800000000 ] - [ 0.0001640700000000, -0.0001183500000000, 0.0000822100000000 ] - [ 0.0008101700000000, -0.0043222200000000, -0.0013905000000000 ] - [ 0.0000314700000000, -0.0003647600000000, -0.0000189900000000 ] - [ 0.0022926100000000, -0.0045239100000000, 0.0060204400000000 ] - [ 0.0001199400000000, -0.0000320100000000, 0.0002050500000000 ] - [ 0.0001044500000000, -0.0004010300000000, -0.0003614000000000 ] - [ -0.0000155400000000, -0.0001533600000000, -0.0000228300000000 ] - [ 0.0002973800000000, -0.0007040400000000, -0.0002397500000000 ] - [ 0.0002474600000000, 0.0000217100000000, -0.0001792800000000 ] - [ 0.0002617000000000, 0.0004368700000000, -0.0002217200000000 ] - [ 0.0001583200000000, 0.0001728200000000, 0.0000595000000000 ] - [ 0.0002705400000000, -0.0001379200000000, -0.0002616400000000 ] - [ 0.0006086000000000, 0.0002718300000000, 0.0002551200000000 ] - [ -0.0028924400000000, -0.0023079500000000, 0.0007958000000000 ] - [ 0.0002188800000000, -0.0000236700000000, 0.0003187900000000 ] - [ -0.0001170300000000, 0.0002406600000000, 0.0005918500000000 ] - [ 0.0001622500000000, 0.0000652100000000, 0.0002219300000000 ] - [ -0.0003252500000000, 0.0001124600000000, -0.0003421500000000 ] - [ -0.0003168500000000, 0.0002813200000000, -0.0003705400000000 ] - [ 0.0002562300000000, -0.0002327100000000, -0.0002285300000000 ] - [ 0.0002617800000000, -0.0000988400000000, -0.0001639100000000 ] - [ -0.0000139100000000, 0.0016826200000000, 0.0006003400000000 ] - [ 0.0004065200000000, 0.0004747900000000, 0.0003688400000000 ] - [ 0.0009426000000000, -0.0006740400000000, 0.0000841900000000 ] - [ 0.0004040000000000, -0.0003202500000000, 0.0002040800000000 ] - [ -0.0000640100000000, -0.0000444900000000, -0.0002510600000000 ] - [ -0.0002005900000000, -0.0001268600000000, -0.0004597200000000 ] - [ 0.0001433400000000, 0.0000094000000000, 0.0005400000000000 ] - [ 0.0000864300000000, 0.0000086100000000, 0.0002820400000000 ] - [ -0.0000612500000000, 0.0001413900000000, -0.0000312500000000 ] - [ -0.0008055200000000, 0.0003129600000000, -0.0001910900000000 ] - [ -0.0003779900000000, -0.0005520700000000, -0.0003286800000000 ] - [ -0.0002704100000000, -0.0005274100000000, -0.0003911200000000 ] - [ -0.0003096200000000, 0.0001975800000000, 0.0001158200000000 ] - [ -0.0002315500000000, 0.0002062500000000, 0.0001083800000000 ] - [ 0.0003588500000000, -0.0001990700000000, 0.0003285600000000 ] - [ 0.0002070700000000, -0.0002087800000000, 0.0002716400000000 ] - [ -0.0002873400000000, -0.0000944900000000, -0.0002611900000000 ] - [ 0.0000952700000000, -0.0002653200000000, -0.0003385000000000 ] - [ -0.0003648100000000, 0.0000319500000000, -0.0002714500000000 ] - [ 0.0004589800000000, -0.0003065100000000, -0.0002257000000000 ] - [ -0.0006269700000000, -0.0002545200000000, -0.0003388900000000 ] - [ -0.0003735100000000, -0.0001686900000000, -0.0000293600000000 ] - [ -0.0001794800000000, -0.0001892400000000, -0.0000614200000000 ] - [ -0.0001711000000000, -0.0003216900000000, -0.0000544100000000 ] - [ -0.0001636300000000, 0.0000661700000000, 0.0001826000000000 ] - [ -0.0007900300000000, 0.0013906800000000, 0.0003605400000000 ] - [ 0.0000479100000000, 0.0001456000000000, 0.0000527800000000 ] - [ -0.0001474500000000, 0.0001957700000000, 0.0002686100000000 ] - [ -0.0000649700000000, 0.0000033400000000, -0.0002188800000000 ] - [ -0.0004960400000000, -0.0006352100000000, -0.0006372800000000 ] - [ 0.0000384900000000, 0.0003546800000000, 0.0000263200000000 ] - [ -0.0027669000000000, -0.0022188000000000, 0.0008522200000000 ] - [ -0.0001670000000000, 0.0001056600000000, -0.0000833800000000 ] - [ -0.0000385200000000, -0.0006422200000000, -0.0001881700000000 ] - [ -0.0000148900000000, -0.0001193200000000, 0.0000146700000000 ] - [ 0.0028868700000000, -0.0039435600000000, 0.0046299000000000 ] - [ -0.0000789700000000, -0.0003339800000000, -0.0000096300000000 ] - [ -0.0000638200000000, -0.0002351000000000, 0.0002760400000000 ] - [ 0.0000628300000000, -0.0018233700000000, 0.0005692500000000 ] - [ 0.0002244900000000, -0.0005564500000000, -0.0001481900000000 ] - [ -0.0000555800000000, -0.0007759100000000, 0.0008629200000000 ] - [ 0.0002109900000000, 0.0004635200000000, -0.0001533300000000 ] - [ -0.0000263600000000, 0.0019847100000000, -0.0025284900000000 ] - [ 0.0001785600000000, -0.0005710500000000, 0.0001403500000000 ] - [ 0.0036579000000000, 0.0032084600000000, -0.0028327800000000 ] - [ 0.0002119800000000, 0.0007933900000000, 0.0001959100000000 ] - [ -0.0003186900000000, -0.0010785000000000, -0.0001968000000000 ] - [ -0.0002408200000000, -0.0012172500000000, 0.0001464000000000 ] - [ -0.0001757500000000, 0.0004785900000000, -0.0002096800000000 ] - [ -0.0002715300000000, 0.0001343000000000, 0.0001528800000000 ] - [ -0.0002084800000000, -0.0003795000000000, 0.0001698200000000 ] - [ 0.0020580000000000, 0.0023718400000000, -0.0022977600000000 ] - [ -0.0002401400000000, 0.0005693400000000, 0.0001295800000000 ] - [ -0.0009980900000000, 0.0025197600000000, -0.0041915100000000 ] - [ 0.0001405000000000, 0.0008406200000000, -0.0004856800000000 ] - [ 0.0000528900000000, 0.0003785000000000, -0.0002376100000000 ] - [ -0.0008895000000000, -0.0027878000000000, 0.0018320900000000 ] - [ -0.0002648100000000, 0.0001540400000000, -0.0003204300000000 ] - [ 0.0000552400000000, 0.0020736700000000, -0.0003413700000000 ] - [ -0.0002199500000000, 0.0000634800000000, 0.0003157200000000 ] - [ 0.0004545200000000, 0.0019749900000000, -0.0013554500000000 ] - [ 0.0000406500000000, -0.0003024600000000, -0.0002537400000000 ] - [ 0.0004596300000000, 0.0011179800000000, 0.0003281000000000 ] - [ 0.0004977500000000, -0.0001286000000000, 0.0000664300000000 ] - [ -0.0009891300000000, -0.0028056600000000, 0.0015855000000000 ] - [ -0.0002667600000000, -0.0002676600000000, -0.0003212100000000 ] - [ -0.0000993400000000, 0.0003128600000000, 0.0000762300000000 ] - [ -0.0002121600000000, 0.0000083600000000, 0.0003316100000000 ] - [ -0.0003491100000000, -0.0025122600000000, 0.0001372100000000 ] - [ -0.0002539100000000, 0.0001160400000000, 0.0004805100000000 ] - [ 0.0005699600000000, 0.0014184500000000, 0.0001846700000000 ] - [ 0.0005313000000000, 0.0002425100000000, 0.0000770200000000 ] - [ 0.0003690100000000, -0.0016000600000000, -0.0001395800000000 ] - [ 0.0005061100000000, -0.0000693000000000, 0.0003284600000000 ] - [ -0.0014561600000000, -0.0016138000000000, -0.0001262000000000 ] - [ -0.0000598800000000, 0.0000517000000000, -0.0002046600000000 ] - [ -0.0007009600000000, -0.0003880900000000, 0.0012060500000000 ] - [ -0.0001337500000000, -0.0002536000000000, 0.0004741900000000 ] - [ 0.0006781800000000, -0.0016700900000000, -0.0001534600000000 ] - [ 0.0004171600000000, -0.0002111700000000, 0.0002318900000000 ] - [ 0.0002254900000000, 0.0002981600000000, 0.0003644600000000 ] - [ 0.0000489100000000, 0.0003013700000000, 0.0001209000000000 ] - [ -0.0001742100000000, -0.0005253600000000, 0.0005594700000000 ] - [ -0.0001181300000000, -0.0002139500000000, -0.0002228600000000 ] - [ -0.0001495600000000, 0.0004824100000000, -0.0002091800000000 ] - [ -0.0004938200000000, 0.0004613500000000, -0.0002599600000000 ] - [ 0.0001279000000000, 0.0004895800000000, -0.0005451300000000 ] - [ 0.0002836100000000, 0.0004009100000000, -0.0005122600000000 ] - [ -0.0000337300000000, 0.0001788500000000, 0.0001309700000000 ] - [ 0.0006775700000000, 0.0006716200000000, 0.0001714800000000 ] - [ -0.0005281600000000, 0.0001694900000000, -0.0002676800000000 ] - [ -0.0004351600000000, 0.0004396200000000, -0.0002327700000000 ] - [ -0.0005829300000000, -0.0003833300000000, -0.0001261700000000 ] - [ -0.0002437500000000, -0.0015941000000000, -0.0004113900000000 ] - [ 0.0002634600000000, -0.0000758600000000, -0.0004608800000000 ] - [ -0.0002179600000000, 0.0005836200000000, -0.0009360500000000 ] - [ 0.0002872900000000, -0.0000657300000000, -0.0003239900000000 ] - [ -0.0001693400000000, -0.0003520800000000, 0.0003779800000000 ] - [ 0.0003075600000000, 0.0003278000000000, 0.0003294000000000 ] - [ 0.0002964800000000, 0.0009526500000000, 0.0002651400000000 ] - [ -0.0004909000000000, 0.0000813300000000, -0.0000470700000000 ] - [ -0.0003866800000000, -0.0015273200000000, -0.0002416800000000 ] - [ -0.0000065900000000, 0.0002436200000000, 0.0002640400000000 ] - [ 0.0003977400000000, -0.0025685100000000, -0.0001960700000000 ] - [ 0.0001822700000000, -0.0000656800000000, -0.0003109700000000 ] - [ 0.0001979700000000, -0.0025967500000000, -0.0008641700000000 ] - [ 0.0002873400000000, -0.0001400800000000, 0.0003406300000000 ] - [ 0.0001648300000000, 0.0004798200000000, 0.0001744900000000 ] - [ -0.0000589500000000, -0.0003829000000000, 0.0002419800000000 ] - [ -0.0000855300000000, -0.0005180400000000, 0.0011897500000000 ]- atom: 5 displacement: [ -0.0030577532044204, 0.0000000000000000, 0.0095210369887348 ] forces: - [ -0.0001941700000000, 0.0008400600000000, 0.0006854900000000 ] - [ 0.0000769000000000, 0.0003545100000000, -0.0000089400000000 ] - [ 0.0001295600000000, 0.0028572000000000, -0.0003266500000000 ] - [ -0.0000349100000000, 0.0001363300000000, -0.0000237000000000 ] - [ 0.0109670600000000, -0.0014732700000000, -0.0402630400000000 ] - [ 0.0000913800000000, -0.0001541100000000, 0.0000582600000000 ] - [ 0.0000768300000000, 0.0019243200000000, -0.0004753900000000 ] - [ 0.0000181500000000, -0.0003464000000000, -0.0000260500000000 ] - [ 0.0023840700000000, -0.0053062900000000, 0.0007929100000000 ] - [ 0.0000740200000000, -0.0000466400000000, 0.0002308000000000 ] - [ -0.0001977400000000, 0.0002673200000000, 0.0005175900000000 ] - [ 0.0000261500000000, -0.0001346900000000, -0.0000131700000000 ] - [ 0.0003699800000000, 0.0002366400000000, -0.0005339000000000 ] - [ 0.0001928200000000, 0.0000711800000000, -0.0001860600000000 ] - [ -0.0004876300000000, -0.0001647000000000, 0.0020709700000000 ] - [ 0.0002358100000000, 0.0001343300000000, 0.0000896000000000 ] - [ 0.0008921200000000, 0.0007948500000000, 0.0005556600000000 ] - [ 0.0005151500000000, 0.0002819400000000, 0.0003629400000000 ] - [ -0.0002965800000000, -0.0012686100000000, -0.0013968700000000 ] - [ 0.0000040900000000, 0.0000112400000000, 0.0002665300000000 ] - [ -0.0004790700000000, -0.0008238900000000, 0.0013240500000000 ] - [ 0.0001915000000000, 0.0000339600000000, 0.0001673600000000 ] - [ -0.0001781100000000, 0.0004174100000000, -0.0003572500000000 ] - [ -0.0003615800000000, 0.0003647000000000, -0.0002421200000000 ] - [ 0.0001587400000000, -0.0000150000000000, 0.0001121100000000 ] - [ 0.0003098600000000, -0.0000529300000000, -0.0001667800000000 ] - [ 0.0009328700000000, 0.0000030900000000, -0.0012291600000000 ] - [ -0.0000662600000000, 0.0003232900000000, 0.0003048500000000 ] - [ 0.0002409900000000, 0.0001585700000000, 0.0003266600000000 ] - [ 0.0006694100000000, -0.0002363100000000, 0.0001262900000000 ] - [ -0.0000115300000000, -0.0001414700000000, -0.0002170200000000 ] - [ -0.0001457400000000, 0.0000995100000000, 0.0000562900000000 ] - [ 0.0000879600000000, -0.0002297500000000, 0.0010313500000000 ] - [ 0.0002105900000000, 0.0000602600000000, 0.0003854600000000 ] - [ -0.0005546600000000, 0.0003519700000000, -0.0006746200000000 ] - [ -0.0007366000000000, 0.0000666100000000, -0.0003280800000000 ] - [ -0.0004291400000000, -0.0002921000000000, -0.0003708600000000 ] - [ -0.0002816800000000, -0.0002659000000000, -0.0005142500000000 ] - [ 0.0000985600000000, 0.0000260900000000, 0.0002993100000000 ] - [ -0.0005020100000000, -0.0000172600000000, 0.0009237300000000 ] - [ 0.0000915800000000, -0.0004020800000000, 0.0010837700000000 ] - [ 0.0006991700000000, -0.0003585000000000, 0.0004944300000000 ] - [ 0.0000424900000000, 0.0000494900000000, -0.0002540500000000 ] - [ -0.0004359000000000, 0.0002434700000000, 0.0000584400000000 ] - [ -0.0002143500000000, -0.0001078200000000, -0.0004699600000000 ] - [ -0.0002040500000000, 0.0002920800000000, -0.0007783300000000 ] - [ -0.0006370700000000, -0.0002880300000000, 0.0001263300000000 ] - [ -0.0003390800000000, -0.0004980000000000, -0.0001648000000000 ] - [ -0.0001177700000000, -0.0001296100000000, -0.0000781200000000 ] - [ -0.0002664400000000, -0.0001254600000000, 0.0002227700000000 ] - [ -0.0006061800000000, -0.0000581000000000, 0.0001107900000000 ] - [ 0.0002767600000000, -0.0004185700000000, -0.0015964600000000 ] - [ 0.0000414000000000, 0.0001178500000000, -0.0000253100000000 ] - [ -0.0004526400000000, -0.0004487000000000, 0.0006063300000000 ] - [ -0.0002470900000000, 0.0000856400000000, -0.0001352400000000 ] - [ 0.0001689000000000, 0.0004668400000000, -0.0001952100000000 ] - [ -0.0001298200000000, 0.0003777600000000, -0.0000259100000000 ] - [ -0.0006489700000000, -0.0013072700000000, -0.0012920000000000 ] - [ -0.0002090700000000, 0.0001544800000000, -0.0000677800000000 ] - [ -0.0000522200000000, 0.0002937500000000, -0.0004853100000000 ] - [ -0.0000545500000000, -0.0001629800000000, 0.0000462400000000 ] - [ 0.0024240400000000, -0.0040670200000000, 0.0000887200000000 ] - [ 0.0000181900000000, -0.0003348800000000, 0.0000768100000000 ] - [ -0.0000575000000000, -0.0007860000000000, 0.0007633700000000 ] - [ 0.0001073600000000, -0.0003180700000000, -0.0001795100000000 ] - [ 0.0002221900000000, -0.0004975400000000, -0.0001306200000000 ] - [ 0.0002505000000000, 0.0006015100000000, 0.0000804600000000 ] - [ 0.0002454900000000, 0.0005214200000000, -0.0001635600000000 ] - [ 0.0046397000000000, 0.0014744100000000, 0.0098863500000000 ] - [ 0.0001787800000000, -0.0006861600000000, 0.0003493800000000 ] - [ -0.0112751300000000, 0.0045436900000000, 0.0061090300000000 ] - [ 0.0002154100000000, 0.0005739500000000, -0.0000335400000000 ] - [ -0.0001644800000000, -0.0005276800000000, -0.0003536000000000 ] - [ -0.0003475100000000, -0.0004740000000000, -0.0002750900000000 ] - [ -0.0002406800000000, 0.0007163700000000, 0.0000678000000000 ] - [ -0.0001145500000000, 0.0007959100000000, -0.0000250600000000 ] - [ -0.0002017000000000, -0.0005641700000000, -0.0000369000000000 ] - [ -0.0110186200000000, 0.0023997900000000, 0.0064996300000000 ] - [ -0.0002639900000000, 0.0004926700000000, 0.0003079300000000 ] - [ 0.0045290600000000, 0.0043679500000000, 0.0107583100000000 ] - [ 0.0002066900000000, 0.0005583100000000, -0.0006633800000000 ] - [ 0.0000091000000000, 0.0003195000000000, -0.0002716000000000 ] - [ -0.0010086800000000, 0.0003404400000000, 0.0018015500000000 ] - [ -0.0002687200000000, 0.0002299200000000, -0.0003225500000000 ] - [ -0.0002573300000000, 0.0004411400000000, 0.0011588900000000 ] - [ -0.0001621200000000, 0.0000064700000000, 0.0003235400000000 ] - [ -0.0000089700000000, 0.0003210300000000, 0.0003646800000000 ] - [ 0.0001022800000000, -0.0003559800000000, -0.0002181600000000 ] - [ 0.0004678700000000, -0.0007311800000000, -0.0001288800000000 ] - [ 0.0005198600000000, -0.0001797200000000, 0.0000369900000000 ] - [ -0.0015481800000000, 0.0000224700000000, 0.0041229300000000 ] - [ -0.0002610800000000, -0.0001864300000000, -0.0003087900000000 ] - [ -0.0001007300000000, 0.0001774700000000, -0.0002178600000000 ] - [ -0.0002691200000000, -0.0000403000000000, 0.0003299300000000 ] - [ -0.0024637700000000, -0.0008290200000000, 0.0028206000000000 ] - [ -0.0000379000000000, 0.0001596900000000, 0.0003232200000000 ] - [ 0.0006519600000000, -0.0002356100000000, -0.0001085200000000 ] - [ 0.0004831800000000, 0.0001446100000000, 0.0000965700000000 ] - [ -0.0012905700000000, 0.0009362900000000, -0.0014366500000000 ] - [ 0.0005129300000000, 0.0000257400000000, 0.0000312200000000 ] - [ 0.0015589900000000, -0.0017180700000000, 0.0029016300000000 ] - [ 0.0000042000000000, 0.0001758500000000, -0.0000261900000000 ] - [ 0.0012236500000000, -0.0011412800000000, -0.0011224300000000 ] - [ -0.0004460000000000, -0.0001720900000000, 0.0005864900000000 ] - [ 0.0034498000000000, 0.0009783100000000, 0.0001575000000000 ] - [ 0.0004538900000000, 0.0000957300000000, 0.0005785500000000 ] - [ -0.0000728900000000, -0.0000175800000000, -0.0000679200000000 ] - [ 0.0001313000000000, 0.0001919600000000, -0.0001076900000000 ] - [ -0.0002427300000000, -0.0008567400000000, -0.0024439300000000 ] - [ -0.0002420800000000, -0.0001131700000000, -0.0004042300000000 ] - [ -0.0005784600000000, -0.0001012000000000, -0.0000698100000000 ] - [ -0.0002643200000000, -0.0002166300000000, -0.0002617500000000 ] - [ 0.0001095500000000, 0.0000888600000000, -0.0002171400000000 ] - [ 0.0004344300000000, 0.0002374000000000, -0.0006673900000000 ] - [ 0.0002909300000000, -0.0003418900000000, 0.0004127300000000 ] - [ 0.0001428700000000, -0.0000820600000000, 0.0006385700000000 ] - [ -0.0003905800000000, -0.0000424700000000, -0.0005018000000000 ] - [ -0.0006333800000000, -0.0001888300000000, -0.0004983800000000 ] - [ -0.0005325200000000, -0.0000594800000000, 0.0001826100000000 ] - [ 0.0022583800000000, 0.0008519700000000, -0.0003733500000000 ] - [ 0.0003543600000000, -0.0001477100000000, -0.0006592800000000 ] - [ -0.0001797500000000, 0.0000117800000000, -0.0002004700000000 ] - [ 0.0000128300000000, 0.0000328800000000, -0.0002400000000000 ] - [ 0.0016847900000000, -0.0007880300000000, -0.0021291800000000 ] - [ 0.0002644700000000, 0.0001689300000000, 0.0003755400000000 ] - [ 0.0004678800000000, -0.0000781100000000, 0.0003480900000000 ] - [ -0.0004408500000000, 0.0001866400000000, -0.0003070500000000 ] - [ -0.0026531000000000, 0.0010184800000000, -0.0021334600000000 ] - [ 0.0000532900000000, 0.0003738500000000, 0.0004146600000000 ] - [ 0.0004721200000000, -0.0006925000000000, 0.0036668700000000 ] - [ 0.0003871100000000, -0.0000488000000000, -0.0004264600000000 ] - [ -0.0023219000000000, -0.0014133400000000, 0.0019436500000000 ] - [ 0.0002652800000000, -0.0002361300000000, 0.0002588000000000 ] - [ 0.0001745200000000, -0.0004287600000000, 0.0001852200000000 ] - [ -0.0001625600000000, -0.0003165900000000, 0.0000915600000000 ] - [ -0.0001590200000000, -0.0011904400000000, -0.0019231700000000 ]- atom: 5 displacement: [ 0.0030577532044204, 0.0000000000000000, -0.0095210369887348 ] forces: - [ 0.0002790200000000, -0.0001402900000000, -0.0007215300000000 ] - [ 0.0000080000000000, 0.0003476800000000, -0.0000269400000000 ] - [ -0.0001454300000000, -0.0025820900000000, 0.0003018500000000 ] - [ 0.0000226500000000, 0.0001370500000000, -0.0000142000000000 ] - [ -0.0106073800000000, 0.0011192000000000, 0.0403398000000000 ] - [ 0.0002391000000000, -0.0001357500000000, 0.0000876900000000 ] - [ 0.0000118300000000, -0.0026287500000000, 0.0004292800000000 ] - [ 0.0000666200000000, -0.0003559900000000, -0.0000098600000000 ] - [ -0.0021310000000000, 0.0052535000000000, -0.0003582100000000 ] - [ 0.0001981900000000, -0.0000332400000000, 0.0001815800000000 ] - [ 0.0001856000000000, -0.0005392800000000, -0.0005559800000000 ] - [ -0.0000383100000000, -0.0001388000000000, -0.0000247500000000 ] - [ 0.0001333100000000, -0.0001159500000000, 0.0001794800000000 ] - [ 0.0003100900000000, 0.0000493700000000, -0.0001685600000000 ] - [ 0.0008183300000000, 0.0004556200000000, -0.0019257200000000 ] - [ 0.0000948700000000, 0.0001556100000000, 0.0000562800000000 ] - [ 0.0002331500000000, -0.0002456300000000, -0.0000692200000000 ] - [ 0.0006107500000000, 0.0002685200000000, 0.0001238200000000 ] - [ 0.0005673400000000, 0.0012316800000000, 0.0020184600000000 ] - [ 0.0002529800000000, -0.0000603000000000, 0.0003661300000000 ] - [ 0.0007472200000000, 0.0008991400000000, -0.0009061400000000 ] - [ 0.0000803200000000, 0.0000464700000000, 0.0002449000000000 ] - [ -0.0004565700000000, 0.0002716200000000, -0.0003777800000000 ] - [ -0.0002733200000000, 0.0003239600000000, -0.0004930900000000 ] - [ 0.0003440700000000, -0.0001054200000000, -0.0004669700000000 ] - [ 0.0001930800000000, -0.0000675300000000, -0.0001880400000000 ] - [ -0.0002738200000000, 0.0006852300000000, 0.0019715300000000 ] - [ 0.0007014000000000, 0.0003648900000000, 0.0004314800000000 ] - [ 0.0008847700000000, -0.0007087900000000, 0.0001592500000000 ] - [ 0.0004558500000000, -0.0003143600000000, 0.0003600500000000 ] - [ -0.0002460300000000, 0.0000932600000000, -0.0004154600000000 ] - [ -0.0001110000000000, -0.0001476100000000, -0.0006892200000000 ] - [ 0.0001691200000000, 0.0002799900000000, -0.0003994500000000 ] - [ 0.0000468200000000, -0.0000110700000000, 0.0002469500000000 ] - [ -0.0005697000000000, 0.0001976900000000, 0.0001894400000000 ] - [ -0.0003890600000000, 0.0004851000000000, -0.0001574900000000 ] - [ -0.0002053000000000, -0.0003968400000000, -0.0003649200000000 ] - [ -0.0003536700000000, -0.0004226400000000, -0.0002212400000000 ] - [ -0.0006022700000000, 0.0000938700000000, 0.0000562300000000 ] - [ -0.0000004700000000, 0.0001374600000000, -0.0005690600000000 ] - [ 0.0005431000000000, -0.0002863500000000, -0.0003484300000000 ] - [ -0.0000635800000000, -0.0003297000000000, 0.0002400100000000 ] - [ -0.0003141700000000, -0.0001296300000000, -0.0001579500000000 ] - [ 0.0001635900000000, -0.0003237400000000, -0.0004692200000000 ] - [ -0.0000423600000000, 0.0001559100000000, -0.0001631100000000 ] - [ -0.0000542400000000, -0.0002424000000000, 0.0001459200000000 ] - [ -0.0004893600000000, -0.0002634300000000, -0.0006123100000000 ] - [ -0.0007862800000000, -0.0000537200000000, -0.0003224300000000 ] - [ -0.0002128900000000, -0.0001603300000000, -0.0000676900000000 ] - [ -0.0000640900000000, -0.0001644200000000, -0.0003685000000000 ] - [ 0.0001030100000000, -0.0000617000000000, 0.0002431500000000 ] - [ -0.0008066100000000, 0.0002974600000000, 0.0019435200000000 ] - [ -0.0000293400000000, 0.0001557000000000, 0.0000635800000000 ] - [ 0.0004663200000000, 0.0007252700000000, -0.0005698800000000 ] - [ -0.0000248200000000, -0.0000054400000000, -0.0002771400000000 ] - [ -0.0004409500000000, -0.0003866900000000, -0.0002180200000000 ] - [ 0.0000453400000000, 0.0003246300000000, 0.0000617800000000 ] - [ 0.0005538600000000, 0.0020013800000000, 0.0013397600000000 ] - [ -0.0001215600000000, 0.0001354700000000, -0.0000781800000000 ] - [ -0.0002786500000000, -0.0000036000000000, 0.0003393600000000 ] - [ 0.0000662600000000, -0.0001109300000000, -0.0000083400000000 ] - [ -0.0024014300000000, 0.0037855000000000, -0.0000736900000000 ] - [ -0.0001031000000000, -0.0003675400000000, -0.0000406700000000 ] - [ -0.0000266500000000, 0.0000811600000000, -0.0007260700000000 ] - [ 0.0003501500000000, -0.0006979000000000, -0.0001118000000000 ] - [ 0.0002367300000000, -0.0005193300000000, -0.0001634700000000 ] - [ 0.0002083600000000, 0.0004148100000000, -0.0003780700000000 ] - [ 0.0002128800000000, 0.0004955500000000, -0.0001312800000000 ] - [ -0.0042916000000000, -0.0028159700000000, -0.0096842100000000 ] - [ 0.0002275000000000, -0.0006264800000000, -0.0000233300000000 ] - [ 0.0115316700000000, -0.0031755000000000, -0.0057176200000000 ] - [ 0.0001897100000000, 0.0007376200000000, 0.0003587300000000 ] - [ -0.0002408000000000, -0.0007838600000000, 0.0000287500000000 ] - [ -0.0000589200000000, -0.0008379200000000, -0.0000491200000000 ] - [ -0.0001651900000000, 0.0005955200000000, -0.0003930100000000 ] - [ -0.0002910400000000, 0.0005158500000000, -0.0003025000000000 ] - [ -0.0002555200000000, -0.0004516100000000, 0.0003311200000000 ] - [ 0.0107074900000000, -0.0034593000000000, -0.0062806000000000 ] - [ -0.0001951800000000, 0.0005247200000000, -0.0000143600000000 ] - [ -0.0049218700000000, -0.0032944200000000, -0.0103323500000000 ] - [ -0.0001046400000000, 0.0001124500000000, 0.0001681800000000 ] - [ 0.0000922100000000, 0.0003540700000000, -0.0002214800000000 ] - [ 0.0005914400000000, 0.0000931400000000, -0.0028593200000000 ] - [ -0.0002730100000000, 0.0001884400000000, -0.0003183900000000 ] - [ -0.0001734700000000, -0.0003926500000000, -0.0005088600000000 ] - [ -0.0002691300000000, 0.0000398400000000, 0.0003288100000000 ] - [ 0.0001090200000000, -0.0009969400000000, -0.0008532100000000 ] - [ -0.0000006900000000, -0.0003179300000000, -0.0002742000000000 ] - [ 0.0005441900000000, 0.0003944200000000, 0.0002633500000000 ] - [ 0.0004914300000000, -0.0001558900000000, 0.0000990300000000 ] - [ 0.0008474400000000, -0.0004139500000000, -0.0042673400000000 ] - [ -0.0002794800000000, -0.0002317900000000, -0.0003317700000000 ] - [ -0.0003309100000000, -0.0002216000000000, 0.0008709000000000 ] - [ -0.0001621700000000, -0.0000058400000000, 0.0003226800000000 ] - [ 0.0019869200000000, 0.0011422600000000, -0.0019755600000000 ] - [ -0.0004130400000000, 0.0001887200000000, 0.0006004500000000 ] - [ 0.0003594500000000, 0.0005722700000000, 0.0002464300000000 ] - [ 0.0005283700000000, 0.0001908200000000, 0.0000395100000000 ] - [ 0.0022213500000000, -0.0009257000000000, 0.0020253500000000 ] - [ 0.0004044300000000, -0.0000100400000000, 0.0005513400000000 ] - [ -0.0018048500000000, 0.0020052900000000, -0.0032873700000000 ] - [ -0.0002207600000000, 0.0000982400000000, -0.0003991900000000 ] - [ -0.0016716000000000, 0.0007905200000000, 0.0020466700000000 ] - [ -0.0000048900000000, -0.0001754900000000, 0.0003384500000000 ] - [ -0.0025131100000000, -0.0009904900000000, 0.0004320900000000 ] - [ 0.0004663200000000, -0.0001116100000000, 0.0000046500000000 ] - [ 0.0002894500000000, 0.0002917900000000, 0.0004924600000000 ] - [ 0.0000847100000000, 0.0000839400000000, 0.0005343100000000 ] - [ 0.0000286300000000, 0.0005843700000000, 0.0020201100000000 ] - [ 0.0000249700000000, -0.0001606500000000, -0.0000211100000000 ] - [ -0.0003415600000000, 0.0001155400000000, -0.0005134700000000 ] - [ -0.0006538000000000, 0.0002316600000000, -0.0003217000000000 ] - [ 0.0003414300000000, 0.0002582200000000, -0.0007081300000000 ] - [ 0.0000163100000000, 0.0001092100000000, -0.0002573900000000 ] - [ -0.0000749000000000, 0.0000679100000000, 0.0000123400000000 ] - [ 0.0000751400000000, -0.0001913600000000, -0.0002139000000000 ] - [ -0.0005284100000000, 0.0000271000000000, -0.0000811100000000 ] - [ -0.0002848800000000, 0.0001730900000000, -0.0000836800000000 ] - [ -0.0004817100000000, -0.0002771600000000, -0.0003193600000000 ] - [ -0.0032865200000000, -0.0011903900000000, 0.0002335200000000 ] - [ 0.0000966400000000, -0.0001995200000000, -0.0002646800000000 ] - [ 0.0006315600000000, -0.0003602800000000, -0.0007223100000000 ] - [ 0.0004181500000000, 0.0000138200000000, -0.0004125500000000 ] - [ -0.0012575100000000, 0.0008379400000000, 0.0014771500000000 ] - [ 0.0002763900000000, 0.0002495500000000, 0.0002650500000000 ] - [ 0.0000738500000000, 0.0004963100000000, 0.0002918200000000 ] - [ -0.0005693000000000, 0.0001487900000000, 0.0001713300000000 ] - [ 0.0016234800000000, -0.0006788600000000, 0.0019890600000000 ] - [ -0.0001548500000000, 0.0002988400000000, 0.0000798600000000 ] - [ -0.0005110500000000, 0.0013289400000000, -0.0032196600000000 ] - [ 0.0000439400000000, 0.0000015300000000, -0.0002250700000000 ] - [ 0.0027622200000000, 0.0013928500000000, -0.0025336100000000 ] - [ 0.0002760700000000, -0.0001821700000000, 0.0003820500000000 ] - [ 0.0003664800000000, 0.0000098900000000, 0.0004568300000000 ] - [ 0.0000616700000000, -0.0003570300000000, 0.0004018500000000 ] - [ 0.0000557400000000, 0.0005143600000000, 0.0024160500000000 ]- atom: 9 displacement: [ 0.0099997439015081, 0.0000000000000000, 0.0000715674804079 ] forces: - [ -0.0001790700000000, 0.0004125800000000, -0.0001384500000000 ] - [ 0.0002317100000000, 0.0003489400000000, 0.0000520500000000 ] - [ -0.0003196000000000, 0.0001747500000000, -0.0000340300000000 ] - [ 0.0002057500000000, 0.0001394200000000, 0.0000200100000000 ] - [ -0.0019264900000000, -0.0023580100000000, 0.0017736500000000 ] - [ 0.0004525200000000, -0.0001289300000000, 0.0001004300000000 ] - [ -0.0023452800000000, -0.0001860500000000, 0.0009994800000000 ] - [ 0.0002962900000000, -0.0003610600000000, 0.0000258200000000 ] - [ -0.0226704000000000, -0.0109255200000000, -0.0111888900000000 ] - [ 0.0004452200000000, -0.0000061600000000, 0.0002547100000000 ] - [ -0.0002841700000000, -0.0001802100000000, -0.0004741000000000 ] - [ 0.0002450300000000, -0.0001819400000000, 0.0001413900000000 ] - [ -0.0004903800000000, -0.0004598200000000, -0.0004497000000000 ] - [ 0.0005615300000000, 0.0000706500000000, -0.0001178800000000 ] - [ -0.0000768900000000, -0.0001059700000000, -0.0006402600000000 ] - [ 0.0004320400000000, 0.0001715200000000, 0.0002163200000000 ] - [ 0.0002806100000000, 0.0004169600000000, 0.0002411600000000 ] - [ 0.0007822100000000, 0.0003011500000000, 0.0002926500000000 ] - [ -0.0002260300000000, 0.0002718000000000, 0.0001351400000000 ] - [ 0.0003493000000000, -0.0000527600000000, 0.0003881700000000 ] - [ -0.0001140400000000, 0.0001880100000000, 0.0000156000000000 ] - [ 0.0003208600000000, 0.0000079000000000, 0.0002971000000000 ] - [ -0.0008024000000000, -0.0004871500000000, -0.0000063200000000 ] - [ -0.0000240200000000, 0.0003916300000000, -0.0003519000000000 ] - [ -0.0001740500000000, 0.0000144900000000, -0.0004986800000000 ] - [ 0.0004904400000000, -0.0000554900000000, -0.0000717500000000 ] - [ 0.0020164300000000, 0.0029167400000000, -0.0003988500000000 ] - [ 0.0006807900000000, 0.0002564100000000, 0.0004388700000000 ] - [ 0.0004985100000000, -0.0006604800000000, -0.0005666000000000 ] - [ 0.0008861300000000, -0.0003111300000000, 0.0004404800000000 ] - [ 0.0003953800000000, -0.0002780600000000, 0.0008593000000000 ] - [ 0.0001746400000000, 0.0000418600000000, -0.0003728800000000 ] - [ -0.0022738800000000, -0.0003340100000000, -0.0005875500000000 ] - [ 0.0003733700000000, 0.0000557600000000, 0.0004123300000000 ] - [ 0.0053127700000000, -0.0006931300000000, -0.0014856500000000 ] - [ 0.0000679700000000, 0.0002546000000000, -0.0001520700000000 ] - [ -0.0005459000000000, -0.0004724500000000, -0.0005778300000000 ] - [ -0.0000771400000000, -0.0002793200000000, -0.0001983900000000 ] - [ 0.0001622700000000, 0.0005102500000000, 0.0006807600000000 ] - [ 0.0000112700000000, -0.0000530100000000, 0.0000612500000000 ] - [ 0.0001288900000000, -0.0002404300000000, 0.0005188900000000 ] - [ 0.0005590000000000, -0.0003705900000000, 0.0004826900000000 ] - [ -0.0001002600000000, -0.0000889000000000, -0.0001473800000000 ] - [ -0.0000443400000000, -0.0000025100000000, -0.0002566300000000 ] - [ -0.0001074900000000, 0.0001075000000000, -0.0003879100000000 ] - [ -0.0000230900000000, -0.0000032400000000, -0.0002176700000000 ] - [ -0.0006504900000000, -0.0001887500000000, -0.0002875300000000 ] - [ -0.0004161400000000, -0.0002688200000000, -0.0001689800000000 ] - [ 0.0000251600000000, -0.0002962100000000, 0.0001745800000000 ] - [ -0.0000114300000000, 0.0000856400000000, -0.0003366600000000 ] - [ -0.0000084500000000, 0.0000438400000000, -0.0000323400000000 ] - [ 0.0000916800000000, -0.0003701900000000, 0.0005032500000000 ] - [ 0.0005256000000000, 0.0001228800000000, 0.0002880600000000 ] - [ 0.0023346400000000, 0.0002101500000000, -0.0013567600000000 ] - [ -0.0000255300000000, -0.0000140100000000, -0.0002181400000000 ] - [ -0.0000172000000000, 0.0003189900000000, 0.0002298200000000 ] - [ 0.0004968400000000, 0.0003307700000000, -0.0000657000000000 ] - [ 0.0063006600000000, 0.0016425800000000, 0.0036882300000000 ] - [ 0.0000456800000000, 0.0000742300000000, -0.0001209300000000 ] - [ -0.0002410600000000, 0.0005095900000000, 0.0002231300000000 ] - [ 0.0001449600000000, -0.0000927400000000, 0.0000361200000000 ] - [ -0.0001379600000000, -0.0002199700000000, 0.0000705100000000 ] - [ 0.0000564300000000, -0.0002913000000000, 0.0001007600000000 ] - [ -0.0001055200000000, -0.0003735300000000, -0.0000760800000000 ] - [ 0.0005481500000000, 0.0034988700000000, -0.0001061200000000 ] - [ 0.0008053400000000, -0.0005324100000000, -0.0000131900000000 ] - [ -0.0001272200000000, 0.0005175500000000, -0.0003533700000000 ] - [ 0.0005826600000000, 0.0005516600000000, 0.0000139000000000 ] - [ -0.0049727100000000, 0.0003227500000000, -0.0000066100000000 ] - [ 0.0007857500000000, -0.0006475800000000, 0.0003304200000000 ] - [ -0.0001853100000000, 0.0016865000000000, -0.0018986900000000 ] - [ 0.0006742100000000, 0.0006317600000000, 0.0004109300000000 ] - [ 0.0002634100000000, -0.0018227700000000, -0.0007026100000000 ] - [ 0.0002219200000000, -0.0001087700000000, -0.0003012200000000 ] - [ -0.0000872700000000, 0.0006178200000000, -0.0000830300000000 ] - [ -0.0001550500000000, 0.0006813900000000, -0.0001199400000000 ] - [ 0.0006036600000000, 0.0000216100000000, 0.0003959900000000 ] - [ 0.0005194600000000, -0.0023127200000000, -0.0001823500000000 ] - [ 0.0001222100000000, 0.0007318600000000, 0.0004293500000000 ] - [ -0.0011352800000000, -0.0003631200000000, 0.0004057500000000 ] - [ -0.0001571500000000, -0.0019373900000000, 0.0022453600000000 ] - [ -0.0004212100000000, 0.0003915800000000, -0.0004245900000000 ] - [ 0.0043759400000000, -0.0002636000000000, -0.0000804600000000 ] - [ -0.0010478800000000, 0.0001216900000000, -0.0005590000000000 ] - [ 0.0045503300000000, 0.0060574700000000, 0.0015795700000000 ] - [ -0.0006725200000000, 0.0000562000000000, 0.0002825500000000 ] - [ 0.0005018000000000, -0.0004795000000000, -0.0001164900000000 ] - [ -0.0002633600000000, -0.0003284400000000, -0.0003475400000000 ] - [ 0.0015266600000000, -0.0011724700000000, 0.0003078700000000 ] - [ 0.0000389900000000, -0.0000736100000000, -0.0000608500000000 ] - [ 0.0009982400000000, -0.0004072900000000, 0.0002704100000000 ] - [ -0.0008109700000000, -0.0002585900000000, -0.0005478100000000 ] - [ 0.0000225300000000, -0.0001879000000000, 0.0005898800000000 ] - [ -0.0004934400000000, -0.0000097800000000, 0.0001751200000000 ] - [ 0.0014470800000000, -0.0009227500000000, 0.0004951400000000 ] - [ -0.0006550600000000, 0.0001795700000000, 0.0004339200000000 ] - [ 0.0011584000000000, 0.0002720300000000, 0.0004012500000000 ] - [ 0.0001039200000000, 0.0001015300000000, -0.0001046900000000 ] - [ 0.0064935800000000, 0.0046084200000000, 0.0059099200000000 ] - [ -0.0000428800000000, 0.0001084500000000, 0.0001876500000000 ] - [ 0.0023096200000000, 0.0001813900000000, 0.0012693200000000 ] - [ -0.0005740500000000, 0.0001784800000000, -0.0004166700000000 ] - [ 0.0001530800000000, -0.0001297700000000, 0.0014814400000000 ] - [ -0.0005860800000000, -0.0001384600000000, 0.0002684400000000 ] - [ 0.0005595700000000, -0.0005885400000000, 0.0010683300000000 ] - [ 0.0000378800000000, -0.0000229700000000, 0.0000725500000000 ] - [ 0.0001476800000000, 0.0002487600000000, 0.0000994000000000 ] - [ -0.0000668000000000, 0.0000587100000000, 0.0002171500000000 ] - [ 0.0008409600000000, -0.0004452100000000, -0.0000509700000000 ] - [ -0.0004660300000000, -0.0001286200000000, -0.0003375200000000 ] - [ -0.0001421900000000, 0.0004860200000000, -0.0000503500000000 ] - [ -0.0009201200000000, -0.0003391900000000, -0.0003735900000000 ] - [ -0.0010597800000000, 0.0016802300000000, -0.0008196400000000 ] - [ -0.0003547400000000, -0.0001792900000000, -0.0004030200000000 ] - [ -0.0005168900000000, 0.0006981000000000, 0.0007793200000000 ] - [ -0.0008390100000000, -0.0010420700000000, -0.0001000300000000 ] - [ -0.0001410100000000, 0.0002840500000000, -0.0004026000000000 ] - [ -0.0007254900000000, -0.0001065100000000, -0.0004344400000000 ] - [ -0.0018138000000000, -0.0009685600000000, -0.0003095500000000 ] - [ -0.0017884600000000, 0.0009000000000000, 0.0000290000000000 ] - [ 0.0002081100000000, -0.0001436300000000, -0.0004161500000000 ] - [ 0.0001537700000000, -0.0002337100000000, -0.0005913200000000 ] - [ -0.0001416700000000, -0.0002469300000000, -0.0005553900000000 ] - [ 0.0001900400000000, 0.0004560200000000, 0.0001016600000000 ] - [ -0.0004293100000000, 0.0005233100000000, 0.0002629400000000 ] - [ 0.0000263400000000, -0.0003977600000000, 0.0002451200000000 ] - [ -0.0006509300000000, 0.0000425300000000, -0.0002053000000000 ] - [ -0.0004877300000000, 0.0005200300000000, -0.0002128900000000 ] - [ -0.0004362700000000, 0.0000782400000000, 0.0003121600000000 ] - [ -0.0000418900000000, 0.0009877900000000, -0.0000887700000000 ] - [ -0.0001001600000000, -0.0000746700000000, -0.0003446000000000 ] - [ 0.0005555700000000, 0.0006245600000000, -0.0020106300000000 ] - [ -0.0000072400000000, -0.0001249500000000, 0.0001950300000000 ] - [ 0.0004689100000000, -0.0003802500000000, 0.0003728400000000 ] - [ -0.0004692800000000, -0.0005211600000000, -0.0001684400000000 ] - [ 0.0000266100000000, -0.0000657500000000, 0.0004825200000000 ]- atom: 9 displacement: [ -0.0099997439015081, 0.0000000000000000, -0.0000715674804079 ] forces: - [ 0.0002631000000000, 0.0002913200000000, 0.0001031500000000 ] - [ -0.0001469100000000, 0.0003533200000000, -0.0000881000000000 ] - [ 0.0003068300000000, 0.0000994600000000, -0.0000047300000000 ] - [ -0.0002180400000000, 0.0001340200000000, -0.0000578700000000 ] - [ 0.0022327300000000, 0.0020820700000000, -0.0016413900000000 ] - [ -0.0001221800000000, -0.0001611900000000, 0.0000459200000000 ] - [ 0.0024175500000000, -0.0005287200000000, -0.0010700400000000 ] - [ -0.0002114900000000, -0.0003413100000000, -0.0000614500000000 ] - [ 0.0228683400000000, 0.0109419800000000, 0.0115557200000000 ] - [ -0.0001733100000000, -0.0000737100000000, 0.0001574100000000 ] - [ 0.0002705600000000, -0.0000929000000000, 0.0004332000000000 ] - [ -0.0002571700000000, -0.0000914000000000, -0.0001797600000000 ] - [ 0.0009990800000000, 0.0005727800000000, 0.0000920000000000 ] - [ -0.0000586500000000, 0.0000499400000000, -0.0002368700000000 ] - [ 0.0004050200000000, 0.0003932700000000, 0.0007856300000000 ] - [ -0.0001013600000000, 0.0001185600000000, -0.0000711300000000 ] - [ 0.0008469700000000, 0.0001346100000000, 0.0002453900000000 ] - [ 0.0003428500000000, 0.0002496700000000, 0.0001934600000000 ] - [ 0.0004851000000000, -0.0003210900000000, 0.0004976400000000 ] - [ -0.0000922800000000, 0.0000036100000000, 0.0002444900000000 ] - [ 0.0003861400000000, -0.0001077800000000, 0.0003971600000000 ] - [ -0.0000489200000000, 0.0000719400000000, 0.0001149700000000 ] - [ 0.0001739100000000, 0.0011755800000000, -0.0007280700000000 ] - [ -0.0006111600000000, 0.0002972000000000, -0.0003838400000000 ] - [ 0.0006771900000000, -0.0001354400000000, 0.0001446600000000 ] - [ 0.0000120700000000, -0.0000646100000000, -0.0002833600000000 ] - [ -0.0013860000000000, -0.0022492800000000, 0.0011428000000000 ] - [ -0.0000457800000000, 0.0004313200000000, 0.0002963300000000 ] - [ 0.0006302700000000, 0.0001087300000000, 0.0010576500000000 ] - [ 0.0002396600000000, -0.0002396100000000, 0.0000463800000000 ] - [ -0.0006517100000000, 0.0002315000000000, -0.0014993000000000 ] - [ -0.0004312700000000, -0.0000903100000000, -0.0002609100000000 ] - [ 0.0025248800000000, 0.0003785800000000, 0.0012565800000000 ] - [ -0.0001166700000000, -0.0000064100000000, 0.0002201400000000 ] - [ -0.0065225900000000, 0.0012606400000000, 0.0010233200000000 ] - [ -0.0011907700000000, 0.0002965000000000, -0.0003341200000000 ] - [ -0.0000871700000000, -0.0002157200000000, -0.0001564500000000 ] - [ -0.0005583100000000, -0.0004085800000000, -0.0005366200000000 ] - [ -0.0006654200000000, -0.0003937600000000, -0.0003302100000000 ] - [ -0.0005147300000000, 0.0001719500000000, 0.0002923400000000 ] - [ 0.0005089500000000, -0.0004478800000000, 0.0002179300000000 ] - [ 0.0000750800000000, -0.0003181700000000, 0.0002523800000000 ] - [ -0.0001708500000000, 0.0000091800000000, -0.0002649100000000 ] - [ -0.0002290700000000, -0.0000766400000000, -0.0001560500000000 ] - [ -0.0001484200000000, -0.0000589800000000, -0.0002438800000000 ] - [ -0.0002351500000000, 0.0000522600000000, -0.0004151600000000 ] - [ -0.0004734500000000, -0.0003613100000000, -0.0001978400000000 ] - [ -0.0007103600000000, -0.0002820200000000, -0.0003178300000000 ] - [ -0.0003556900000000, 0.0000070500000000, -0.0003217000000000 ] - [ -0.0003202200000000, -0.0003744900000000, 0.0001897800000000 ] - [ -0.0004938400000000, -0.0001644900000000, 0.0003897100000000 ] - [ -0.0005950300000000, 0.0002475500000000, -0.0001468700000000 ] - [ -0.0005161000000000, 0.0001508600000000, -0.0002518900000000 ] - [ -0.0023023700000000, 0.0000651800000000, 0.0013783800000000 ] - [ -0.0002459000000000, 0.0000940900000000, -0.0001931600000000 ] - [ -0.0002567200000000, -0.0002377700000000, -0.0006403900000000 ] - [ -0.0005843300000000, 0.0003716500000000, 0.0001025500000000 ] - [ -0.0062853700000000, -0.0009141100000000, -0.0035841600000000 ] - [ -0.0003766300000000, 0.0002164100000000, -0.0000242500000000 ] - [ -0.0000921300000000, -0.0002192000000000, -0.0003698200000000 ] - [ -0.0001327400000000, -0.0001810200000000, 0.0000023000000000 ] - [ 0.0001486500000000, -0.0000529300000000, -0.0000334200000000 ] - [ -0.0001406600000000, -0.0004111500000000, -0.0000650500000000 ] - [ 0.0000193400000000, -0.0003283800000000, 0.0001117200000000 ] - [ -0.0001057400000000, -0.0045037200000000, -0.0001839600000000 ] - [ -0.0003473900000000, -0.0004840200000000, -0.0002809300000000 ] - [ 0.0005839100000000, 0.0004989000000000, 0.0000582200000000 ] - [ -0.0001233800000000, 0.0004653300000000, -0.0003082200000000 ] - [ 0.0053892300000000, -0.0015865000000000, 0.0003529400000000 ] - [ -0.0003808600000000, -0.0006652200000000, -0.0000053500000000 ] - [ 0.0005917800000000, -0.0003681400000000, 0.0022224400000000 ] - [ -0.0002684900000000, 0.0006798100000000, -0.0000853000000000 ] - [ -0.0006697200000000, 0.0005180700000000, 0.0003802500000000 ] - [ -0.0006303400000000, -0.0011986900000000, -0.0000264200000000 ] - [ -0.0003167900000000, 0.0006942600000000, -0.0002417000000000 ] - [ -0.0002532000000000, 0.0006311500000000, -0.0002070000000000 ] - [ -0.0010650100000000, -0.0010423800000000, -0.0001033400000000 ] - [ -0.0009962200000000, 0.0012816400000000, 0.0004642700000000 ] - [ -0.0005800900000000, 0.0002836100000000, -0.0001360900000000 ] - [ 0.0006724700000000, 0.0013765700000000, -0.0001136700000000 ] - [ 0.0002751500000000, 0.0026043000000000, -0.0027324000000000 ] - [ 0.0005235600000000, 0.0002812200000000, -0.0000680000000000 ] - [ -0.0048237800000000, 0.0005550200000000, -0.0006065900000000 ] - [ 0.0005093000000000, 0.0002993600000000, -0.0000810000000000 ] - [ -0.0049609400000000, -0.0058950300000000, -0.0008911600000000 ] - [ 0.0002424300000000, -0.0000097500000000, 0.0003692100000000 ] - [ -0.0003998300000000, -0.0001927900000000, -0.0003757800000000 ] - [ 0.0003646600000000, -0.0003456000000000, -0.0001449600000000 ] - [ -0.0005130400000000, 0.0008384200000000, -0.0001748000000000 ] - [ 0.0009734800000000, -0.0002630100000000, 0.0001973500000000 ] - [ -0.0015358400000000, -0.0000131900000000, -0.0009083300000000 ] - [ 0.0002699200000000, -0.0001610400000000, -0.0000931100000000 ] - [ -0.0004523000000000, 0.0001401700000000, 0.0000617100000000 ] - [ 0.0000622100000000, -0.0000371600000000, 0.0004770400000000 ] - [ -0.0019058400000000, 0.0012651600000000, 0.0004308100000000 ] - [ 0.0002050900000000, 0.0001692400000000, 0.0004900700000000 ] - [ -0.0001482400000000, 0.0000666900000000, -0.0002630400000000 ] - [ 0.0009075300000000, 0.0002339000000000, 0.0002406900000000 ] - [ -0.0055687600000000, -0.0046887400000000, -0.0054240900000000 ] - [ 0.0009616900000000, -0.0000928000000000, 0.0003959300000000 ] - [ -0.0025759300000000, 0.0000610700000000, -0.0016208600000000 ] - [ 0.0003570900000000, 0.0000956900000000, -0.0000085000000000 ] - [ -0.0006038100000000, -0.0002191700000000, -0.0005569700000000 ] - [ 0.0001357700000000, -0.0002088500000000, 0.0006556900000000 ] - [ 0.0003552100000000, 0.0005698200000000, -0.0004886600000000 ] - [ 0.0008810600000000, 0.0000084500000000, 0.0005101100000000 ] - [ 0.0000666700000000, 0.0000246100000000, 0.0003248100000000 ] - [ 0.0002849000000000, 0.0002151900000000, 0.0002091400000000 ] - [ -0.0010582800000000, 0.0001651500000000, -0.0003782200000000 ] - [ 0.0002500700000000, -0.0001446300000000, -0.0000865600000000 ] - [ -0.0007809000000000, -0.0004750100000000, -0.0005344000000000 ] - [ 0.0000022500000000, 0.0003517800000000, -0.0002088200000000 ] - [ 0.0015154200000000, -0.0013446800000000, -0.0001011000000000 ] - [ 0.0008040200000000, 0.0005236500000000, -0.0005200500000000 ] - [ 0.0007363100000000, -0.0009785100000000, -0.0003597400000000 ] - [ 0.0010520800000000, 0.0007611700000000, 0.0005232400000000 ] - [ -0.0007813600000000, -0.0002983200000000, -0.0001817100000000 ] - [ -0.0001916500000000, 0.0000902000000000, -0.0001482200000000 ] - [ 0.0008090400000000, 0.0006380200000000, 0.0001739300000000 ] - [ 0.0007711400000000, -0.0012226000000000, -0.0001620700000000 ] - [ 0.0002411200000000, -0.0002050700000000, -0.0005089100000000 ] - [ 0.0002983700000000, -0.0001150900000000, -0.0003320700000000 ] - [ 0.0005725000000000, 0.0002959600000000, -0.0000949000000000 ] - [ 0.0002506300000000, -0.0004100000000000, -0.0007535300000000 ] - [ 0.0009714200000000, -0.0001050300000000, 0.0003774600000000 ] - [ 0.0005197100000000, 0.0008169200000000, 0.0003964500000000 ] - [ -0.0003628200000000, 0.0002939500000000, 0.0000688000000000 ] - [ -0.0005228200000000, -0.0001819700000000, 0.0000770900000000 ] - [ 0.0003353600000000, 0.0005962900000000, 0.0001802400000000 ] - [ -0.0000530900000000, -0.0003140200000000, 0.0005845600000000 ] - [ 0.0005302400000000, 0.0000279300000000, -0.0003076600000000 ] - [ -0.0001157100000000, -0.0006684900000000, 0.0013527300000000 ] - [ 0.0005465500000000, -0.0002954500000000, 0.0004453100000000 ] - [ 0.0000743400000000, -0.0000402100000000, 0.0002692900000000 ] - [ 0.0003678000000000, -0.0001509800000000, 0.0006630700000000 ] - [ -0.0001266800000000, -0.0006052400000000, 0.0000148200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001276600000000, 0.0012279100000000, 0.0000988100000000 ] - [ 0.0000742400000000, 0.0004500300000000, -0.0000115600000000 ] - [ -0.0000842700000000, 0.0013544900000000, -0.0000443000000000 ] - [ 0.0000226700000000, 0.0002371200000000, -0.0000063500000000 ] - [ -0.0026569700000000, 0.0043431200000000, -0.0063374200000000 ] - [ 0.0002313800000000, -0.0001529300000000, 0.0000871600000000 ] - [ 0.0002637500000000, -0.0012497300000000, 0.0047553100000000 ] - [ 0.0000728700000000, -0.0004233500000000, 0.0000043400000000 ] - [ -0.0108682500000000, -0.0410012100000000, -0.0161735100000000 ] - [ 0.0001699500000000, -0.0001137800000000, 0.0002122200000000 ] - [ 0.0000049900000000, -0.0006077000000000, 0.0000184500000000 ] - [ 0.0000309400000000, -0.0002238000000000, -0.0000175300000000 ] - [ -0.0006643700000000, 0.0025043800000000, 0.0010200000000000 ] - [ 0.0003286300000000, 0.0000774600000000, -0.0001510900000000 ] - [ -0.0004441300000000, -0.0000529500000000, 0.0007820900000000 ] - [ 0.0002769500000000, 0.0001203900000000, 0.0001152200000000 ] - [ 0.0006335400000000, 0.0013201300000000, 0.0003489000000000 ] - [ 0.0005923800000000, 0.0003749700000000, 0.0002576800000000 ] - [ 0.0001723800000000, 0.0008710500000000, -0.0000912700000000 ] - [ 0.0001318500000000, 0.0000573900000000, 0.0003197200000000 ] - [ -0.0000124600000000, 0.0004078200000000, 0.0002358400000000 ] - [ 0.0001681000000000, 0.0000911300000000, 0.0002133700000000 ] - [ -0.0013532200000000, 0.0015325800000000, -0.0014272900000000 ] - [ -0.0002124000000000, 0.0003672200000000, -0.0003648500000000 ] - [ 0.0001039900000000, 0.0002812100000000, -0.0006106600000000 ] - [ 0.0003018600000000, -0.0000450000000000, -0.0001654300000000 ] - [ 0.0032856400000000, 0.0017134100000000, -0.0007811400000000 ] - [ 0.0002157300000000, 0.0003089700000000, 0.0003422300000000 ] - [ 0.0001421600000000, -0.0007192000000000, 0.0005611900000000 ] - [ 0.0006703600000000, -0.0003770500000000, 0.0002990300000000 ] - [ -0.0003180000000000, -0.0008334000000000, -0.0006217000000000 ] - [ -0.0000317500000000, -0.0001811600000000, -0.0003152400000000 ] - [ -0.0002868300000000, -0.0026963700000000, -0.0018029400000000 ] - [ 0.0001683000000000, -0.0000422600000000, 0.0003246900000000 ] - [ -0.0013797800000000, -0.0018513800000000, -0.0002111100000000 ] - [ -0.0003919700000000, 0.0000212700000000, -0.0002549600000000 ] - [ -0.0005707500000000, -0.0002125300000000, -0.0003182600000000 ] - [ -0.0002119200000000, -0.0002674600000000, -0.0002964800000000 ] - [ 0.0005278600000000, 0.0002205200000000, 0.0005551800000000 ] - [ -0.0004053300000000, -0.0000196500000000, 0.0002461500000000 ] - [ 0.0003665800000000, -0.0004261700000000, 0.0010387800000000 ] - [ 0.0003095900000000, -0.0003709100000000, 0.0003642300000000 ] - [ -0.0000877900000000, 0.0003065600000000, -0.0002336700000000 ] - [ -0.0001723300000000, 0.0003535600000000, -0.0002324300000000 ] - [ -0.0000704300000000, 0.0002986300000000, -0.0003464500000000 ] - [ -0.0001606500000000, 0.0003159300000000, -0.0003598600000000 ] - [ -0.0004242400000000, 0.0001208600000000, -0.0000639900000000 ] - [ -0.0005677100000000, -0.0001737800000000, -0.0002535500000000 ] - [ -0.0002450900000000, -0.0000903300000000, -0.0001925000000000 ] - [ 0.0001915900000000, 0.0000817200000000, -0.0002570600000000 ] - [ -0.0000528800000000, -0.0001113400000000, 0.0001766100000000 ] - [ -0.0004513000000000, -0.0002486300000000, -0.0000062800000000 ] - [ 0.0000770300000000, -0.0001298100000000, 0.0000018300000000 ] - [ 0.0004362700000000, -0.0012402200000000, -0.0001424100000000 ] - [ -0.0001898300000000, -0.0001252500000000, -0.0001916500000000 ] - [ 0.0001401700000000, -0.0000228500000000, 0.0001255900000000 ] - [ -0.0000607700000000, 0.0001696200000000, 0.0000478500000000 ] - [ 0.0019867700000000, -0.0019532600000000, 0.0006872400000000 ] - [ -0.0002204100000000, 0.0001811100000000, -0.0000427800000000 ] - [ 0.0002625800000000, 0.0008219800000000, 0.0005139800000000 ] - [ 0.0000669600000000, -0.0000213500000000, 0.0000517100000000 ] - [ -0.0001239300000000, 0.0003301900000000, -0.0002268300000000 ] - [ 0.0000484200000000, -0.0001638000000000, 0.0000745200000000 ] - [ -0.0001322800000000, -0.0000632700000000, 0.0000583800000000 ] - [ 0.0041892600000000, 0.0061007000000000, -0.0015033200000000 ] - [ 0.0000908400000000, -0.0005715700000000, -0.0001739100000000 ] - [ 0.0004383900000000, 0.0011685400000000, 0.0000238500000000 ] - [ 0.0002212500000000, 0.0005880400000000, -0.0001542000000000 ] - [ 0.0000427000000000, 0.0127242900000000, 0.0086416600000000 ] - [ 0.0003120600000000, -0.0006316700000000, 0.0002131000000000 ] - [ 0.0005279800000000, 0.0004066700000000, -0.0003172300000000 ] - [ 0.0002868200000000, 0.0005473000000000, 0.0001872000000000 ] - [ -0.0006278500000000, -0.0003997500000000, 0.0002372700000000 ] - [ 0.0007628900000000, -0.0005390100000000, -0.0000666000000000 ] - [ -0.0003733500000000, 0.0009506500000000, -0.0002784000000000 ] - [ 0.0001405800000000, 0.0008595200000000, -0.0000523100000000 ] - [ 0.0001019900000000, -0.0003740400000000, 0.0001515900000000 ] - [ -0.0036272600000000, 0.0009274300000000, -0.0003572500000000 ] - [ 0.0000094200000000, 0.0003664300000000, 0.0003291600000000 ] - [ -0.0007890800000000, -0.0000280000000000, -0.0000555900000000 ] - [ -0.0023208000000000, -0.0005414000000000, 0.0032560000000000 ] - [ 0.0000808000000000, 0.0004314300000000, -0.0002091900000000 ] - [ 0.0018430300000000, 0.0018957200000000, 0.0001031800000000 ] - [ -0.0004889600000000, 0.0002454500000000, -0.0003773400000000 ] - [ 0.0051747900000000, 0.0134431500000000, 0.0035175900000000 ] - [ -0.0002034900000000, 0.0001139400000000, 0.0002932900000000 ] - [ 0.0000287700000000, -0.0014384000000000, -0.0003805400000000 ] - [ 0.0000151100000000, -0.0004472200000000, -0.0002485000000000 ] - [ 0.0006072900000000, -0.0030055000000000, 0.0008636300000000 ] - [ 0.0004796500000000, -0.0002360800000000, 0.0000657100000000 ] - [ -0.0001048200000000, 0.0000436300000000, 0.0002777900000000 ] - [ -0.0004441400000000, -0.0001940200000000, -0.0003921600000000 ] - [ -0.0002016600000000, -0.0007599800000000, 0.0002464500000000 ] - [ -0.0002345300000000, -0.0001469800000000, 0.0003152200000000 ] - [ -0.0009408100000000, -0.0042678500000000, 0.0005852600000000 ] - [ -0.0002430100000000, 0.0000893100000000, 0.0004384000000000 ] - [ 0.0007906700000000, -0.0003092300000000, -0.0004835900000000 ] - [ 0.0004178700000000, 0.0001720400000000, 0.0000293400000000 ] - [ 0.0031906200000000, 0.0073787800000000, 0.0052323600000000 ] - [ 0.0004575700000000, 0.0001017000000000, 0.0002699000000000 ] - [ 0.0003293500000000, 0.0039508500000000, -0.0000754100000000 ] - [ -0.0001716400000000, 0.0002686700000000, -0.0002331000000000 ] - [ -0.0001481400000000, 0.0006580500000000, 0.0005958900000000 ] - [ -0.0003037400000000, -0.0000469900000000, 0.0004397700000000 ] - [ 0.0004178300000000, 0.0000409200000000, 0.0006921300000000 ] - [ 0.0004959400000000, -0.0000149700000000, 0.0003322200000000 ] - [ 0.0001360000000000, -0.0004203100000000, 0.0003403800000000 ] - [ -0.0000209800000000, -0.0001522200000000, 0.0001524700000000 ] - [ 0.0000939900000000, -0.0017805000000000, -0.0016397100000000 ] - [ -0.0001768200000000, -0.0001972900000000, -0.0002444100000000 ] - [ 0.0000591600000000, -0.0005977600000000, -0.0003250000000000 ] - [ -0.0007740400000000, -0.0003711100000000, -0.0003681000000000 ] - [ 0.0013347100000000, 0.0003150200000000, -0.0003111800000000 ] - [ -0.0002434900000000, 0.0003733200000000, -0.0004174400000000 ] - [ 0.0003594500000000, 0.0000582000000000, 0.0000545200000000 ] - [ -0.0005789400000000, -0.0001788900000000, 0.0000001400000000 ] - [ -0.0000771100000000, 0.0000032900000000, 0.0000736200000000 ] - [ -0.0006117500000000, -0.0000257700000000, -0.0003720000000000 ] - [ -0.0011344700000000, 0.0001622900000000, -0.0000311700000000 ] - [ 0.0006581300000000, 0.0007905500000000, 0.0003387100000000 ] - [ 0.0002696300000000, -0.0005294700000000, -0.0004627200000000 ] - [ 0.0000658100000000, -0.0005267900000000, -0.0004940700000000 ] - [ -0.0001184700000000, -0.0002378600000000, -0.0003234100000000 ] - [ 0.0011945800000000, -0.0008043600000000, -0.0007661400000000 ] - [ 0.0005597900000000, 0.0000411000000000, 0.0003208400000000 ] - [ -0.0010596600000000, -0.0009127300000000, 0.0001623700000000 ] - [ -0.0008417700000000, 0.0001003700000000, -0.0003545100000000 ] - [ -0.0003554300000000, 0.0002417300000000, -0.0000100100000000 ] - [ -0.0002020700000000, 0.0001568200000000, 0.0002891900000000 ] - [ 0.0010878800000000, -0.0007460300000000, 0.0008233100000000 ] - [ 0.0001336400000000, 0.0001772200000000, -0.0004322700000000 ] - [ 0.0004130800000000, 0.0013973300000000, -0.0002461300000000 ] - [ 0.0003442900000000, -0.0002490900000000, 0.0003661900000000 ] - [ -0.0000057600000000, -0.0004929700000000, 0.0001234600000000 ] - [ -0.0002843900000000, -0.0000313000000000, 0.0000954600000000 ] - [ 0.0000480100000000, 0.0002658000000000, 0.0002925300000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002147000000000, -0.0005221500000000, -0.0001361400000000 ] - [ 0.0000104500000000, 0.0002525400000000, -0.0000241900000000 ] - [ 0.0000759300000000, -0.0010792900000000, 0.0000076200000000 ] - [ -0.0000348300000000, 0.0000365800000000, -0.0000315900000000 ] - [ 0.0030263100000000, -0.0046833300000000, 0.0065798400000000 ] - [ 0.0000997200000000, -0.0001367800000000, 0.0000589900000000 ] - [ -0.0001823900000000, 0.0005069800000000, -0.0047886000000000 ] - [ 0.0000122900000000, -0.0002795100000000, -0.0000400400000000 ] - [ 0.0107686300000000, 0.0408785600000000, 0.0166399400000000 ] - [ 0.0001025100000000, 0.0000337000000000, 0.0002001100000000 ] - [ -0.0000182600000000, 0.0003304300000000, -0.0000581500000000 ] - [ -0.0000425400000000, -0.0000502800000000, -0.0000203000000000 ] - [ 0.0011572800000000, -0.0023624300000000, -0.0013578600000000 ] - [ 0.0001747900000000, 0.0000429100000000, -0.0002035100000000 ] - [ 0.0007735200000000, 0.0003442600000000, -0.0006366600000000 ] - [ 0.0000545700000000, 0.0001701600000000, 0.0000305900000000 ] - [ 0.0004898200000000, -0.0007672400000000, 0.0001343900000000 ] - [ 0.0005337400000000, 0.0001762300000000, 0.0002288800000000 ] - [ 0.0000822200000000, -0.0009179800000000, 0.0007279800000000 ] - [ 0.0001258200000000, -0.0001060000000000, 0.0003125800000000 ] - [ 0.0002837700000000, -0.0003248300000000, 0.0001760500000000 ] - [ 0.0001041300000000, -0.0000107800000000, 0.0001988700000000 ] - [ 0.0007052600000000, -0.0008389300000000, 0.0006807600000000 ] - [ -0.0004218300000000, 0.0003212700000000, -0.0003703800000000 ] - [ 0.0003983500000000, -0.0004014500000000, 0.0002511300000000 ] - [ 0.0002013600000000, -0.0000754200000000, -0.0001892300000000 ] - [ -0.0026695700000000, -0.0010164100000000, 0.0015251600000000 ] - [ 0.0004193500000000, 0.0003800300000000, 0.0003932100000000 ] - [ 0.0009842200000000, 0.0001600500000000, -0.0000761200000000 ] - [ 0.0004554700000000, -0.0001741000000000, 0.0001874200000000 ] - [ 0.0000646100000000, 0.0007794500000000, -0.0000067600000000 ] - [ -0.0002250900000000, 0.0001315000000000, -0.0003176000000000 ] - [ 0.0005367400000000, 0.0027221100000000, 0.0024663300000000 ] - [ 0.0000890300000000, 0.0000913200000000, 0.0003081100000000 ] - [ 0.0002875100000000, 0.0023879300000000, -0.0002785800000000 ] - [ -0.0007337400000000, 0.0005291500000000, -0.0002311100000000 ] - [ -0.0000662800000000, -0.0004770200000000, -0.0004164500000000 ] - [ -0.0004225100000000, -0.0004212200000000, -0.0004386300000000 ] - [ -0.0010299400000000, -0.0000972700000000, -0.0002011500000000 ] - [ -0.0000977900000000, 0.0001398800000000, 0.0001083800000000 ] - [ 0.0002685900000000, -0.0002611600000000, -0.0003038000000000 ] - [ 0.0003249800000000, -0.0003175500000000, 0.0003709900000000 ] - [ -0.0001862900000000, -0.0003858500000000, -0.0001788700000000 ] - [ -0.0000985600000000, -0.0004324900000000, -0.0001800600000000 ] - [ -0.0001878300000000, -0.0002486300000000, -0.0002853300000000 ] - [ -0.0000956800000000, -0.0002666300000000, -0.0002722300000000 ] - [ -0.0007014600000000, -0.0006688900000000, -0.0004234100000000 ] - [ -0.0005577400000000, -0.0003762100000000, -0.0002326700000000 ] - [ -0.0000863500000000, -0.0002003600000000, 0.0000464800000000 ] - [ -0.0005196300000000, -0.0003712500000000, 0.0001101100000000 ] - [ -0.0004482000000000, -0.0000073700000000, 0.0001787800000000 ] - [ -0.0000518400000000, 0.0001293400000000, 0.0003618100000000 ] - [ -0.0000632400000000, 0.0004024400000000, 0.0000372100000000 ] - [ -0.0004297700000000, 0.0015084600000000, 0.0001826800000000 ] - [ -0.0000815000000000, 0.0002038400000000, -0.0002204700000000 ] - [ -0.0004119600000000, 0.0001010600000000, -0.0005377700000000 ] - [ -0.0000217400000000, 0.0005319600000000, -0.0000119700000000 ] - [ -0.0020974000000000, 0.0026364500000000, -0.0006603700000000 ] - [ -0.0001104900000000, 0.0001086500000000, -0.0001032200000000 ] - [ -0.0005878300000000, -0.0005289900000000, -0.0006556400000000 ] - [ -0.0000549000000000, -0.0002517800000000, -0.0000133400000000 ] - [ 0.0001368800000000, -0.0006021100000000, 0.0002667400000000 ] - [ -0.0001333900000000, -0.0005372500000000, -0.0000388500000000 ] - [ 0.0000476700000000, -0.0006371300000000, -0.0000224900000000 ] - [ -0.0036595600000000, -0.0070416600000000, 0.0012040100000000 ] - [ 0.0003678100000000, -0.0004458700000000, -0.0001201300000000 ] - [ 0.0000208600000000, -0.0001534600000000, -0.0003146100000000 ] - [ 0.0002372900000000, 0.0004290000000000, -0.0001406800000000 ] - [ 0.0003706700000000, -0.0142049700000000, -0.0084755300000000 ] - [ 0.0000945100000000, -0.0006801400000000, 0.0001127900000000 ] - [ -0.0001230300000000, 0.0009279800000000, 0.0006242500000000 ] - [ 0.0001199600000000, 0.0007649700000000, 0.0001385000000000 ] - [ 0.0002182400000000, -0.0009187800000000, -0.0005624800000000 ] - [ -0.0011637000000000, -0.0007745500000000, -0.0002564400000000 ] - [ -0.0000327600000000, 0.0003598000000000, -0.0000496500000000 ] - [ -0.0005445300000000, 0.0004525000000000, -0.0002729600000000 ] - [ -0.0005583800000000, -0.0006399300000000, 0.0001431800000000 ] - [ 0.0031662000000000, -0.0019479200000000, 0.0006395400000000 ] - [ -0.0004669600000000, 0.0006510200000000, -0.0000345200000000 ] - [ 0.0003288700000000, 0.0010460200000000, 0.0003461500000000 ] - [ 0.0024042100000000, 0.0012257900000000, -0.0037171000000000 ] - [ 0.0000202300000000, 0.0002426600000000, -0.0002837900000000 ] - [ -0.0022641100000000, -0.0016621900000000, -0.0008138900000000 ] - [ -0.0000530200000000, 0.0001739100000000, -0.0002639500000000 ] - [ -0.0052628800000000, -0.0128047200000000, -0.0026592400000000 ] - [ -0.0002279100000000, -0.0000664500000000, 0.0003583600000000 ] - [ 0.0000702100000000, 0.0007631400000000, -0.0001190800000000 ] - [ 0.0000859200000000, -0.0002267300000000, -0.0002437000000000 ] - [ 0.0003974200000000, 0.0026490100000000, -0.0007194700000000 ] - [ 0.0005320100000000, -0.0001002000000000, 0.0000704900000000 ] - [ -0.0004294400000000, -0.0004706500000000, -0.0009155000000000 ] - [ -0.0000979600000000, -0.0002261600000000, -0.0002492100000000 ] - [ -0.0002298400000000, 0.0007107500000000, 0.0004051900000000 ] - [ -0.0001965900000000, 0.0001002300000000, 0.0003369100000000 ] - [ 0.0004994900000000, 0.0046527300000000, 0.0003434500000000 ] - [ -0.0002076800000000, 0.0002586000000000, 0.0004851000000000 ] - [ 0.0002238600000000, 0.0006504200000000, 0.0006163700000000 ] - [ 0.0005937900000000, 0.0001645100000000, 0.0001068100000000 ] - [ -0.0023961000000000, -0.0075269600000000, -0.0049064900000000 ] - [ 0.0004607900000000, -0.0000862700000000, 0.0003132400000000 ] - [ -0.0005784200000000, -0.0036960600000000, -0.0002881700000000 ] - [ -0.0000455600000000, 0.0000051300000000, -0.0001913000000000 ] - [ -0.0003021800000000, -0.0010066100000000, 0.0003375200000000 ] - [ -0.0001471600000000, -0.0003005000000000, 0.0004840600000000 ] - [ 0.0004984500000000, -0.0000691900000000, -0.0001095300000000 ] - [ 0.0004222300000000, -0.0000006300000000, 0.0002506000000000 ] - [ 0.0000835000000000, 0.0006931900000000, 0.0000884500000000 ] - [ 0.0002363000000000, 0.0004255500000000, 0.0002725600000000 ] - [ -0.0003093900000000, 0.0014988300000000, 0.0012211800000000 ] - [ -0.0000401400000000, -0.0000767200000000, -0.0001800700000000 ] - [ -0.0009699100000000, 0.0006130000000000, -0.0002584800000000 ] - [ -0.0001466200000000, 0.0003855900000000, -0.0002156500000000 ] - [ -0.0008812700000000, 0.0000433500000000, -0.0006134500000000 ] - [ 0.0006914200000000, -0.0000235900000000, -0.0005062900000000 ] - [ -0.0001443000000000, -0.0003244700000000, 0.0003697500000000 ] - [ 0.0007951000000000, -0.0000912300000000, 0.0004227400000000 ] - [ -0.0008410400000000, -0.0000138200000000, -0.0006541900000000 ] - [ -0.0003077400000000, 0.0000114100000000, -0.0002114100000000 ] - [ 0.0001180500000000, -0.0005046700000000, -0.0001063900000000 ] - [ -0.0016710400000000, -0.0011277900000000, -0.0004751400000000 ] - [ 0.0001811500000000, 0.0001807300000000, -0.0004601900000000 ] - [ 0.0003834100000000, 0.0001780500000000, -0.0004303200000000 ] - [ 0.0005491400000000, 0.0002822400000000, -0.0003285700000000 ] - [ -0.0007582800000000, 0.0008462700000000, 0.0001139900000000 ] - [ -0.0000179500000000, 0.0003800300000000, 0.0003201700000000 ] - [ 0.0015939000000000, 0.0013314500000000, 0.0004733000000000 ] - [ -0.0001717200000000, 0.0002338500000000, 0.0002174500000000 ] - [ -0.0006562500000000, 0.0000930700000000, -0.0001260700000000 ] - [ 0.0001004100000000, 0.0005136700000000, 0.0002047500000000 ] - [ -0.0011934500000000, 0.0014176100000000, -0.0003287600000000 ] - [ 0.0002957700000000, -0.0002239900000000, -0.0002193700000000 ] - [ 0.0000225100000000, -0.0014459500000000, -0.0003984800000000 ] - [ 0.0001971400000000, -0.0001695100000000, 0.0002754200000000 ] - [ 0.0005442800000000, 0.0000737500000000, 0.0005164900000000 ] - [ 0.0001813100000000, -0.0006417900000000, 0.0003966200000000 ] - [ -0.0001492700000000, -0.0009368200000000, 0.0002032500000000 ]- atom: 9 displacement: [ -0.0030577532044204, 0.0000000000000000, 0.0095210369887348 ] forces: - [ -0.0000427500000000, 0.0004741500000000, 0.0000652400000000 ] - [ 0.0000496500000000, 0.0003601300000000, -0.0000359700000000 ] - [ 0.0000718200000000, 0.0002686700000000, -0.0002618100000000 ] - [ -0.0000315700000000, 0.0001422900000000, -0.0000171100000000 ] - [ 0.0027351900000000, -0.0050809200000000, 0.0007373000000000 ] - [ 0.0001210700000000, -0.0001489300000000, 0.0001033300000000 ] - [ 0.0015408200000000, 0.0032867000000000, 0.0072958200000000 ] - [ 0.0000343000000000, -0.0003566500000000, 0.0000168100000000 ] - [ -0.0033435300000000, -0.0121621500000000, -0.0307461900000000 ] - [ 0.0000877900000000, -0.0000443900000000, 0.0002038600000000 ] - [ -0.0004947100000000, -0.0001526700000000, 0.0011296400000000 ] - [ 0.0000593800000000, -0.0001605700000000, -0.0000107600000000 ] - [ 0.0000203500000000, 0.0013972100000000, -0.0002533000000000 ] - [ 0.0002297600000000, 0.0000608900000000, -0.0001842900000000 ] - [ -0.0005741200000000, 0.0005856700000000, 0.0011457900000000 ] - [ 0.0002322300000000, 0.0001521000000000, 0.0000377100000000 ] - [ 0.0006584200000000, 0.0004050100000000, 0.0001541300000000 ] - [ 0.0005319600000000, 0.0002800400000000, 0.0002611000000000 ] - [ 0.0001335100000000, -0.0002009900000000, 0.0001967400000000 ] - [ 0.0001146700000000, -0.0000148800000000, 0.0003057300000000 ] - [ 0.0000286800000000, -0.0000347900000000, 0.0005167200000000 ] - [ 0.0001662600000000, 0.0000427400000000, 0.0002038400000000 ] - [ 0.0000876700000000, -0.0000374600000000, -0.0007009200000000 ] - [ -0.0003824400000000, 0.0003316200000000, -0.0003344100000000 ] - [ 0.0001871300000000, -0.0004991600000000, 0.0003259500000000 ] - [ 0.0002725800000000, -0.0000565600000000, -0.0001750200000000 ] - [ -0.0007017700000000, -0.0011019000000000, -0.0007119000000000 ] - [ 0.0002474200000000, 0.0003522400000000, 0.0003216500000000 ] - [ -0.0002200600000000, 0.0000948600000000, 0.0013496600000000 ] - [ 0.0006453900000000, -0.0002707800000000, 0.0002255500000000 ] - [ 0.0008190500000000, -0.0002842400000000, -0.0000211000000000 ] - [ -0.0002848000000000, -0.0000174800000000, -0.0001105600000000 ] - [ -0.0000464100000000, -0.0015798200000000, 0.0091223000000000 ] - [ 0.0001423100000000, 0.0000264500000000, 0.0003367000000000 ] - [ -0.0038913400000000, 0.0006879000000000, -0.0014276800000000 ] - [ -0.0005981200000000, 0.0002269200000000, -0.0003829600000000 ] - [ -0.0005070600000000, -0.0001965100000000, -0.0001456300000000 ] - [ -0.0002650500000000, -0.0003180000000000, -0.0003862800000000 ] - [ 0.0002380000000000, 0.0002706500000000, 0.0000955200000000 ] - [ -0.0004261600000000, 0.0000929000000000, 0.0003392600000000 ] - [ 0.0004567500000000, 0.0000719600000000, 0.0012262700000000 ] - [ 0.0004027000000000, -0.0003724400000000, 0.0004468300000000 ] - [ -0.0000900200000000, 0.0000010700000000, -0.0002991800000000 ] - [ -0.0002122700000000, -0.0000264500000000, -0.0002317000000000 ] - [ -0.0002079900000000, -0.0000177700000000, -0.0002976800000000 ] - [ -0.0000963900000000, 0.0000406600000000, -0.0004018000000000 ] - [ -0.0005418700000000, -0.0002007700000000, -0.0000602800000000 ] - [ -0.0005363500000000, -0.0003036600000000, -0.0002100500000000 ] - [ -0.0000872400000000, -0.0001511200000000, -0.0001531000000000 ] - [ -0.0004597800000000, -0.0003416000000000, 0.0001934100000000 ] - [ -0.0005555500000000, -0.0001388800000000, 0.0003553500000000 ] - [ 0.0000332200000000, -0.0002080400000000, -0.0000113400000000 ] - [ 0.0000272600000000, 0.0001209800000000, -0.0001661900000000 ] - [ -0.0021802700000000, 0.0000119600000000, 0.0002413700000000 ] - [ -0.0001844700000000, 0.0000702600000000, 0.0000738300000000 ] - [ 0.0002410400000000, 0.0002719900000000, 0.0000660100000000 ] - [ -0.0002830000000000, 0.0003574300000000, 0.0000388500000000 ] - [ 0.0017768700000000, 0.0002835100000000, -0.0015032000000000 ] - [ -0.0002360500000000, 0.0001790600000000, 0.0000107500000000 ] - [ 0.0000922400000000, 0.0004456500000000, -0.0000790900000000 ] - [ -0.0000090100000000, -0.0001341800000000, 0.0000761600000000 ] - [ 0.0001238300000000, -0.0003230300000000, 0.0000384900000000 ] - [ 0.0000246200000000, -0.0003083000000000, 0.0000259600000000 ] - [ -0.0000995100000000, -0.0003687400000000, 0.0001958600000000 ] - [ 0.0003019900000000, -0.0024259400000000, -0.0037240200000000 ] - [ 0.0001439800000000, -0.0005187600000000, -0.0001945700000000 ] - [ 0.0004099400000000, 0.0010121500000000, 0.0003069500000000 ] - [ 0.0003198500000000, 0.0004814100000000, -0.0001119400000000 ] - [ 0.0016773300000000, 0.0079340700000000, 0.0015157000000000 ] - [ 0.0001373100000000, -0.0006633300000000, 0.0001723600000000 ] - [ -0.0011418900000000, -0.0006136500000000, 0.0038598300000000 ] - [ 0.0002806200000000, 0.0006385500000000, 0.0001433600000000 ] - [ -0.0003444100000000, -0.0004145300000000, -0.0005002600000000 ] - [ -0.0001909000000000, -0.0005998400000000, -0.0005842800000000 ] - [ 0.0000663800000000, 0.0003338900000000, 0.0000469800000000 ] - [ -0.0000863600000000, 0.0007837600000000, 0.0000333800000000 ] - [ -0.0004006800000000, -0.0007392900000000, -0.0000350200000000 ] - [ -0.0022824900000000, 0.0007608800000000, -0.0007728200000000 ] - [ -0.0001721200000000, 0.0005101900000000, 0.0004358700000000 ] - [ -0.0002425400000000, 0.0001692200000000, 0.0015059200000000 ] - [ 0.0022481100000000, 0.0037769200000000, -0.0006559000000000 ] - [ 0.0000602100000000, 0.0003427100000000, -0.0001996500000000 ] - [ 0.0005013400000000, -0.0010210500000000, 0.0021604100000000 ] - [ -0.0001488400000000, 0.0002476300000000, -0.0002548500000000 ] - [ -0.0010587200000000, 0.0002996300000000, 0.0030041000000000 ] - [ -0.0001236200000000, 0.0000089200000000, 0.0003347600000000 ] - [ -0.0000600600000000, -0.0005746300000000, -0.0003548100000000 ] - [ 0.0000512100000000, -0.0003401100000000, -0.0002845300000000 ] - [ 0.0002408500000000, 0.0000373500000000, 0.0009987600000000 ] - [ 0.0005583900000000, -0.0001834900000000, 0.0000848300000000 ] - [ -0.0003626400000000, 0.0003409700000000, -0.0016755200000000 ] - [ -0.0003701600000000, -0.0002225900000000, -0.0003953600000000 ] - [ -0.0000700500000000, -0.0000835200000000, -0.0002165400000000 ] - [ -0.0002747600000000, -0.0000303100000000, 0.0003362900000000 ] - [ -0.0008892800000000, -0.0005014500000000, 0.0021646500000000 ] - [ -0.0001493700000000, 0.0001671600000000, 0.0004395700000000 ] - [ 0.0008533900000000, -0.0007250300000000, -0.0009554200000000 ] - [ 0.0004443800000000, 0.0001583300000000, 0.0000450500000000 ] - [ 0.0034646000000000, 0.0063785900000000, 0.0096543200000000 ] - [ 0.0005373400000000, 0.0000002600000000, 0.0002520100000000 ] - [ 0.0001529000000000, 0.0006900200000000, 0.0007925800000000 ] - [ -0.0000948500000000, 0.0001521700000000, -0.0001669100000000 ] - [ 0.0007680600000000, -0.0007834400000000, -0.0023604800000000 ] - [ -0.0003312500000000, -0.0001591500000000, 0.0004633200000000 ] - [ 0.0011935600000000, 0.0009898000000000, -0.0005129800000000 ] - [ 0.0003773800000000, 0.0000059000000000, 0.0003317100000000 ] - [ -0.0000661700000000, 0.0002139100000000, 0.0002013500000000 ] - [ 0.0001989300000000, 0.0001303400000000, 0.0000334700000000 ] - [ -0.0002082100000000, -0.0011723500000000, -0.0008920300000000 ] - [ -0.0001260700000000, -0.0001338300000000, -0.0002428400000000 ] - [ -0.0003572700000000, -0.0001852700000000, -0.0001057900000000 ] - [ -0.0004158800000000, -0.0000137800000000, -0.0001634900000000 ] - [ 0.0001869200000000, -0.0000467900000000, 0.0004220000000000 ] - [ 0.0005318500000000, 0.0003803400000000, -0.0002204800000000 ] - [ 0.0006234600000000, -0.0005753900000000, 0.0001964100000000 ] - [ -0.0001822900000000, -0.0003109100000000, 0.0004464900000000 ] - [ -0.0008433900000000, 0.0005474800000000, -0.0008193500000000 ] - [ -0.0005325900000000, -0.0000844700000000, -0.0004721300000000 ] - [ -0.0000780400000000, 0.0001894800000000, 0.0003520000000000 ] - [ 0.0002892600000000, -0.0001633800000000, 0.0006380100000000 ] - [ 0.0002908700000000, -0.0000879400000000, -0.0007570700000000 ] - [ 0.0001109200000000, -0.0002251500000000, -0.0004931000000000 ] - [ 0.0000913000000000, 0.0000348100000000, -0.0001099000000000 ] - [ 0.0008733900000000, -0.0004643000000000, -0.0005437700000000 ] - [ 0.0003980700000000, 0.0001558300000000, 0.0004355700000000 ] - [ 0.0002384400000000, 0.0002109400000000, 0.0010728700000000 ] - [ -0.0006137900000000, 0.0001090800000000, -0.0003277600000000 ] - [ -0.0006934300000000, 0.0005070000000000, -0.0004934000000000 ] - [ 0.0000758300000000, 0.0004176500000000, 0.0002718200000000 ] - [ -0.0000931400000000, 0.0000726800000000, 0.0012600200000000 ] - [ 0.0003047000000000, -0.0000089100000000, -0.0005531000000000 ] - [ -0.0012241600000000, 0.0006444000000000, -0.0018025400000000 ] - [ 0.0000924500000000, -0.0001573700000000, 0.0002062700000000 ] - [ 0.0001281600000000, -0.0004665600000000, -0.0000684900000000 ] - [ -0.0003680100000000, -0.0004221000000000, 0.0000251400000000 ] - [ 0.0003294700000000, -0.0004956900000000, -0.0007830000000000 ]- atom: 9 displacement: [ 0.0030577532044204, 0.0000000000000000, -0.0095210369887348 ] forces: - [ 0.0001272300000000, 0.0002277500000000, -0.0000996700000000 ] - [ 0.0000352700000000, 0.0003420200000000, 0.0000001500000000 ] - [ -0.0000839400000000, 0.0000031000000000, 0.0002226600000000 ] - [ 0.0000192900000000, 0.0001309700000000, -0.0000210500000000 ] - [ -0.0023794500000000, 0.0047551100000000, -0.0006063800000000 ] - [ 0.0002091600000000, -0.0001410800000000, 0.0000425000000000 ] - [ -0.0014217000000000, -0.0039217500000000, -0.0072268600000000 ] - [ 0.0000501400000000, -0.0003456900000000, -0.0000527300000000 ] - [ 0.0039454100000000, 0.0124591300000000, 0.0311364300000000 ] - [ 0.0001840000000000, -0.0000353200000000, 0.0002082400000000 ] - [ 0.0004852100000000, -0.0001180000000000, -0.0011650200000000 ] - [ -0.0000715400000000, -0.0001128300000000, -0.0000272300000000 ] - [ 0.0004863600000000, -0.0012758600000000, -0.0001095100000000 ] - [ 0.0002726500000000, 0.0000594100000000, -0.0001706700000000 ] - [ 0.0009100300000000, -0.0003025300000000, -0.0010016800000000 ] - [ 0.0000987700000000, 0.0001382000000000, 0.0001080300000000 ] - [ 0.0004679000000000, 0.0001457100000000, 0.0003327300000000 ] - [ 0.0005935700000000, 0.0002706700000000, 0.0002255100000000 ] - [ 0.0001243600000000, 0.0001503900000000, 0.0004343600000000 ] - [ 0.0001423800000000, -0.0000341900000000, 0.0003263200000000 ] - [ 0.0002434400000000, 0.0001127500000000, -0.0001036800000000 ] - [ 0.0001058700000000, 0.0000370800000000, 0.0002082200000000 ] - [ -0.0007190700000000, 0.0007213800000000, -0.0000285700000000 ] - [ -0.0002526900000000, 0.0003568600000000, -0.0004005300000000 ] - [ 0.0003164300000000, 0.0003814400000000, -0.0006786200000000 ] - [ 0.0002303000000000, -0.0000636800000000, -0.0001799400000000 ] - [ 0.0013365000000000, 0.0017863600000000, 0.0014364000000000 ] - [ 0.0003869300000000, 0.0003367500000000, 0.0004136100000000 ] - [ 0.0013386600000000, -0.0006422900000000, -0.0008587000000000 ] - [ 0.0004798700000000, -0.0002796100000000, 0.0002600000000000 ] - [ -0.0010779000000000, 0.0002362800000000, -0.0006073900000000 ] - [ 0.0000281800000000, -0.0000306000000000, -0.0005211100000000 ] - [ 0.0002993300000000, 0.0016661400000000, -0.0086119000000000 ] - [ 0.0001148500000000, 0.0000230500000000, 0.0002961400000000 ] - [ 0.0027541500000000, -0.0001320600000000, 0.0009219300000000 ] - [ -0.0005291200000000, 0.0003243900000000, -0.0001029500000000 ] - [ -0.0001282100000000, -0.0004905000000000, -0.0005903400000000 ] - [ -0.0003702400000000, -0.0003706900000000, -0.0003498700000000 ] - [ -0.0007418100000000, -0.0001506800000000, 0.0002595700000000 ] - [ -0.0000766200000000, 0.0000268600000000, 0.0000168200000000 ] - [ 0.0001745500000000, -0.0007645400000000, -0.0004908400000000 ] - [ 0.0002326700000000, -0.0003162400000000, 0.0002886700000000 ] - [ -0.0001816300000000, -0.0000813200000000, -0.0001131000000000 ] - [ -0.0000603400000000, -0.0000539500000000, -0.0001799100000000 ] - [ -0.0000488600000000, 0.0000661600000000, -0.0003354600000000 ] - [ -0.0001609200000000, 0.0000075900000000, -0.0002313400000000 ] - [ -0.0005839600000000, -0.0003502200000000, -0.0004249800000000 ] - [ -0.0005891200000000, -0.0002474600000000, -0.0002764700000000 ] - [ -0.0002433900000000, -0.0001390400000000, 0.0000075900000000 ] - [ 0.0001285900000000, 0.0000518000000000, -0.0003376600000000 ] - [ 0.0000509900000000, 0.0000181700000000, -0.0000007600000000 ] - [ -0.0005356200000000, 0.0000884400000000, 0.0003642700000000 ] - [ -0.0000153600000000, 0.0001528900000000, 0.0002038700000000 ] - [ 0.0021996100000000, 0.0002643400000000, -0.0001961900000000 ] - [ -0.0000892400000000, 0.0000097800000000, -0.0004862700000000 ] - [ -0.0005104000000000, -0.0001906700000000, -0.0004797900000000 ] - [ 0.0001973700000000, 0.0003450800000000, -0.0000036000000000 ] - [ -0.0018912500000000, 0.0004173900000000, 0.0015149300000000 ] - [ -0.0000951600000000, 0.0001112400000000, -0.0001570200000000 ] - [ -0.0004226800000000, -0.0001569700000000, -0.0000711800000000 ] - [ 0.0000206000000000, -0.0001398700000000, -0.0000378400000000 ] - [ -0.0001112500000000, 0.0000481200000000, -0.0000011200000000 ] - [ -0.0001094500000000, -0.0003939100000000, 0.0000101000000000 ] - [ 0.0000146600000000, -0.0003341800000000, -0.0001594500000000 ] - [ 0.0001414000000000, 0.0013907200000000, 0.0034512500000000 ] - [ 0.0003153000000000, -0.0004978100000000, -0.0000994400000000 ] - [ 0.0000522300000000, 0.0000096600000000, -0.0006010100000000 ] - [ 0.0001382500000000, 0.0005355400000000, -0.0001826200000000 ] - [ -0.0012871700000000, -0.0092795600000000, -0.0011633000000000 ] - [ 0.0002683100000000, -0.0006489400000000, 0.0001535200000000 ] - [ 0.0015319900000000, 0.0019160300000000, -0.0035186800000000 ] - [ 0.0001251200000000, 0.0006738500000000, 0.0001815000000000 ] - [ -0.0000602700000000, -0.0008968700000000, 0.0001699300000000 ] - [ -0.0002192700000000, -0.0007131500000000, 0.0002605300000000 ] - [ -0.0004740100000000, 0.0009802900000000, -0.0003718800000000 ] - [ -0.0003182200000000, 0.0005290300000000, -0.0003594300000000 ] - [ -0.0000583600000000, -0.0002778400000000, 0.0003278100000000 ] - [ 0.0018193700000000, -0.0017760100000000, 0.0010655700000000 ] - [ -0.0002875000000000, 0.0005066100000000, -0.0001418800000000 ] - [ -0.0002131600000000, 0.0008447600000000, -0.0012077000000000 ] - [ -0.0021444000000000, -0.0031126400000000, 0.0001350900000000 ] - [ 0.0000410600000000, 0.0003303100000000, -0.0002935800000000 ] - [ -0.0010157600000000, 0.0013842100000000, -0.0028271600000000 ] - [ -0.0003911900000000, 0.0001733900000000, -0.0003857400000000 ] - [ 0.0006112900000000, -0.0002799500000000, -0.0023427500000000 ] - [ -0.0003067500000000, 0.0000376500000000, 0.0003174700000000 ] - [ 0.0001598400000000, -0.0000977100000000, -0.0001356700000000 ] - [ 0.0000507400000000, -0.0003333800000000, -0.0002077900000000 ] - [ 0.0007719000000000, -0.0003673900000000, -0.0008682700000000 ] - [ 0.0004535900000000, -0.0001526000000000, 0.0000513900000000 ] - [ -0.0001816200000000, -0.0007566300000000, 0.0010299500000000 ] - [ -0.0001699500000000, -0.0001981200000000, -0.0002454900000000 ] - [ -0.0003611800000000, 0.0000351500000000, 0.0008656700000000 ] - [ -0.0001561400000000, -0.0000163300000000, 0.0003156400000000 ] - [ 0.0004366100000000, 0.0008439100000000, -0.0012373700000000 ] - [ -0.0003003000000000, 0.0001812400000000, 0.0004839100000000 ] - [ 0.0001596500000000, 0.0010518500000000, 0.0010885400000000 ] - [ 0.0005680200000000, 0.0001776300000000, 0.0000913800000000 ] - [ -0.0027129000000000, -0.0065877400000000, -0.0092306000000000 ] - [ 0.0003813100000000, 0.0000148400000000, 0.0003305700000000 ] - [ -0.0005104600000000, -0.0004901500000000, -0.0009692800000000 ] - [ -0.0001211100000000, 0.0001212200000000, -0.0002569800000000 ] - [ -0.0012198100000000, 0.0004431000000000, 0.0032944600000000 ] - [ -0.0001193000000000, -0.0001888300000000, 0.0004611500000000 ] - [ -0.0002715800000000, -0.0010005200000000, 0.0010951700000000 ] - [ 0.0005409700000000, -0.0000207900000000, 0.0002516000000000 ] - [ 0.0002824700000000, 0.0000594800000000, 0.0002208300000000 ] - [ 0.0000175800000000, 0.0001442500000000, 0.0003913100000000 ] - [ -0.0000057700000000, 0.0009001500000000, 0.0004625800000000 ] - [ -0.0000905100000000, -0.0001397400000000, -0.0001820500000000 ] - [ -0.0005638700000000, 0.0001995500000000, -0.0004758700000000 ] - [ -0.0005012300000000, 0.0000296300000000, -0.0004196900000000 ] - [ 0.0002575900000000, 0.0003942700000000, -0.0013440500000000 ] - [ -0.0000802700000000, -0.0000337000000000, -0.0007056800000000 ] - [ -0.0004046100000000, 0.0002991800000000, 0.0002310600000000 ] - [ 0.0004039500000000, 0.0000403200000000, -0.0000204100000000 ] - [ -0.0000724100000000, -0.0005662200000000, 0.0002352900000000 ] - [ -0.0003864700000000, 0.0000688400000000, -0.0001112900000000 ] - [ -0.0009332400000000, -0.0005256800000000, -0.0004867100000000 ] - [ -0.0012978300000000, -0.0001752100000000, -0.0007768500000000 ] - [ 0.0001601900000000, -0.0002609200000000, -0.0001670600000000 ] - [ 0.0003391300000000, -0.0001223700000000, -0.0004294400000000 ] - [ 0.0003390100000000, 0.0000123900000000, -0.0005411700000000 ] - [ -0.0004401600000000, 0.0005110100000000, -0.0001106900000000 ] - [ 0.0001418900000000, 0.0002653600000000, 0.0002061300000000 ] - [ 0.0003072900000000, 0.0002132300000000, -0.0004342200000000 ] - [ -0.0003966900000000, 0.0002270900000000, 0.0001907300000000 ] - [ -0.0003212800000000, -0.0001673000000000, 0.0003554800000000 ] - [ -0.0001767200000000, 0.0002550900000000, 0.0002227700000000 ] - [ -0.0000090500000000, 0.0006008500000000, -0.0007638100000000 ] - [ 0.0001269500000000, -0.0000381900000000, -0.0000984700000000 ] - [ 0.0016399400000000, -0.0006883900000000, 0.0011489400000000 ] - [ 0.0004494700000000, -0.0002638100000000, 0.0004346000000000 ] - [ 0.0004100200000000, 0.0000429800000000, 0.0007087300000000 ] - [ 0.0002670100000000, -0.0002505600000000, 0.0004675000000000 ] - [ -0.0004332800000000, -0.0001767400000000, 0.0012743100000000 ]- atom: 13 displacement: [ 0.0099997439015081, 0.0000000000000000, 0.0000715674804079 ] forces: - [ -0.0000223500000000, 0.0006941700000000, -0.0003797900000000 ] - [ 0.0003470300000000, 0.0002599400000000, 0.0001242200000000 ] - [ 0.0013630300000000, 0.0038914700000000, -0.0008266100000000 ] - [ 0.0003509200000000, 0.0000416400000000, 0.0000514700000000 ] - [ -0.0001307300000000, -0.0001925300000000, 0.0001001300000000 ] - [ 0.0004166500000000, -0.0001408200000000, 0.0000922100000000 ] - [ -0.0007288800000000, -0.0036752300000000, 0.0018795800000000 ] - [ 0.0003571900000000, -0.0002968600000000, -0.0000121400000000 ] - [ -0.0006072100000000, -0.0009384400000000, -0.0002762100000000 ] - [ 0.0004454500000000, 0.0000369500000000, 0.0002828300000000 ] - [ -0.0003109800000000, -0.0002271000000000, -0.0000423800000000 ] - [ 0.0002378500000000, -0.0000980700000000, 0.0001292200000000 ] - [ -0.0343911900000000, 0.0068017100000000, -0.0024640100000000 ] - [ 0.0006741600000000, 0.0000478600000000, -0.0001125700000000 ] - [ 0.0000029700000000, 0.0001499200000000, -0.0000746300000000 ] - [ 0.0003577300000000, 0.0001551500000000, 0.0001960800000000 ] - [ -0.0005820700000000, -0.0000034600000000, 0.0004147600000000 ] - [ 0.0008672800000000, 0.0003232700000000, 0.0003466200000000 ] - [ -0.0015598700000000, -0.0018111100000000, -0.0001060000000000 ] - [ 0.0004155200000000, -0.0000401400000000, 0.0003874600000000 ] - [ -0.0002883700000000, 0.0001885400000000, 0.0000041300000000 ] - [ 0.0003749800000000, -0.0000102100000000, 0.0003050200000000 ] - [ -0.0019461100000000, 0.0003777500000000, 0.0026016700000000 ] - [ 0.0000597300000000, 0.0003460700000000, -0.0002901500000000 ] - [ -0.0002919500000000, -0.0000701600000000, -0.0009060100000000 ] - [ 0.0005987800000000, -0.0000645800000000, -0.0000093300000000 ] - [ -0.0000606100000000, 0.0002915000000000, 0.0003669800000000 ] - [ 0.0006055400000000, 0.0003267100000000, 0.0004199200000000 ] - [ 0.0001473100000000, 0.0014409500000000, -0.0012444500000000 ] - [ 0.0009043000000000, -0.0003627000000000, 0.0003960700000000 ] - [ -0.0003341000000000, 0.0002718900000000, -0.0001008200000000 ] - [ 0.0000696100000000, -0.0000916400000000, -0.0002553200000000 ] - [ -0.0002831100000000, -0.0001493700000000, -0.0001132300000000 ] - [ 0.0003877500000000, 0.0000584500000000, 0.0004437200000000 ] - [ -0.0006488600000000, 0.0018943100000000, -0.0000814500000000 ] - [ -0.0002220600000000, 0.0001412500000000, -0.0001865200000000 ] - [ 0.0034308900000000, -0.0010810300000000, -0.0050273600000000 ] - [ 0.0001811100000000, -0.0003335500000000, -0.0001791700000000 ] - [ -0.0004653800000000, 0.0000844900000000, 0.0002014700000000 ] - [ -0.0000668200000000, 0.0000566500000000, 0.0001980600000000 ] - [ 0.0000962300000000, -0.0003404400000000, 0.0001970400000000 ] - [ 0.0005588100000000, -0.0003342300000000, 0.0004768700000000 ] - [ 0.0002752900000000, -0.0008190700000000, 0.0004381900000000 ] - [ 0.0001264000000000, 0.0001141000000000, -0.0003048800000000 ] - [ 0.0004682700000000, -0.0008909900000000, -0.0005342400000000 ] - [ 0.0002491900000000, 0.0002119800000000, -0.0002210600000000 ] - [ -0.0008328600000000, -0.0005160400000000, -0.0005005900000000 ] - [ -0.0003179100000000, -0.0001637100000000, -0.0000997600000000 ] - [ 0.0001186700000000, -0.0002035700000000, 0.0003862300000000 ] - [ -0.0000309600000000, -0.0001251500000000, -0.0002892000000000 ] - [ -0.0003383500000000, -0.0000618300000000, 0.0000486700000000 ] - [ -0.0000266600000000, -0.0000966100000000, 0.0002884200000000 ] - [ 0.0002225600000000, 0.0003673300000000, 0.0002075400000000 ] - [ 0.0001799400000000, -0.0001100800000000, -0.0001623500000000 ] - [ 0.0001064200000000, 0.0002369200000000, -0.0004441100000000 ] - [ 0.0002061500000000, -0.0001625400000000, 0.0002021600000000 ] - [ 0.0002826100000000, 0.0006757900000000, 0.0000112400000000 ] - [ 0.0004426800000000, -0.0003140600000000, 0.0000350800000000 ] - [ 0.0005161700000000, 0.0000585300000000, -0.0002261900000000 ] - [ 0.0050715800000000, 0.0006772200000000, 0.0021711700000000 ] - [ 0.0002239800000000, -0.0002607100000000, -0.0000120600000000 ] - [ 0.0001492200000000, 0.0003529800000000, 0.0003069000000000 ] - [ 0.0000573900000000, -0.0004861300000000, 0.0001242100000000 ] - [ -0.0000169500000000, -0.0002244500000000, 0.0000610900000000 ] - [ 0.0059564400000000, -0.0017278300000000, -0.0067859500000000 ] - [ 0.0013304900000000, -0.0003526400000000, 0.0002498300000000 ] - [ -0.0014923100000000, 0.0003796800000000, 0.0034165400000000 ] - [ 0.0007857700000000, 0.0005638300000000, 0.0000249100000000 ] - [ -0.0003040000000000, -0.0007478800000000, -0.0000742100000000 ] - [ 0.0006969800000000, -0.0006332000000000, 0.0003546600000000 ] - [ -0.0004917000000000, 0.0005629100000000, -0.0000153100000000 ] - [ 0.0006486800000000, 0.0006775300000000, 0.0003340600000000 ] - [ 0.0052620800000000, 0.0004366400000000, 0.0019230000000000 ] - [ 0.0011363300000000, -0.0007987300000000, -0.0000968700000000 ] - [ 0.0000854200000000, 0.0009261100000000, -0.0004502100000000 ] - [ 0.0003433500000000, 0.0006404900000000, 0.0003649100000000 ] - [ 0.0001178000000000, -0.0006456800000000, 0.0003487500000000 ] - [ -0.0003196000000000, -0.0002801300000000, -0.0001619900000000 ] - [ 0.0000403600000000, 0.0007241500000000, 0.0001773500000000 ] - [ -0.0005818600000000, 0.0001858800000000, 0.0003595800000000 ] - [ -0.0002826700000000, 0.0008662300000000, 0.0014919200000000 ] - [ -0.0005206300000000, 0.0002140900000000, -0.0006103800000000 ] - [ 0.0001208700000000, 0.0004295900000000, -0.0000520800000000 ] - [ -0.0008331500000000, 0.0001825200000000, -0.0005290300000000 ] - [ 0.0078181900000000, -0.0030556400000000, -0.0015294300000000 ] - [ -0.0009401300000000, -0.0000811800000000, 0.0002442100000000 ] - [ 0.0053121300000000, 0.0010792500000000, 0.0019548100000000 ] - [ -0.0004435000000000, -0.0002670700000000, -0.0003436300000000 ] - [ 0.0029797100000000, -0.0017993100000000, 0.0031131100000000 ] - [ -0.0002260300000000, 0.0000003400000000, -0.0001774000000000 ] - [ 0.0003473800000000, -0.0002552100000000, -0.0002032600000000 ] - [ -0.0007320900000000, -0.0002235000000000, -0.0004591500000000 ] - [ 0.0003004900000000, 0.0000757600000000, 0.0001535500000000 ] - [ -0.0006134400000000, 0.0000363200000000, 0.0001442300000000 ] - [ 0.0007551900000000, 0.0001059600000000, 0.0004545700000000 ] - [ -0.0006349100000000, 0.0001642000000000, 0.0003738800000000 ] - [ 0.0045790900000000, 0.0004347100000000, 0.0006330000000000 ] - [ -0.0000452400000000, 0.0000649600000000, -0.0001153900000000 ] - [ 0.0011585100000000, 0.0000410600000000, 0.0006736400000000 ] - [ 0.0000211700000000, 0.0000761100000000, 0.0001393700000000 ] - [ 0.0011753300000000, 0.0001107500000000, -0.0000675100000000 ] - [ -0.0005497000000000, 0.0001462700000000, -0.0003283000000000 ] - [ 0.0003258800000000, -0.0003872800000000, 0.0008814700000000 ] - [ -0.0005797500000000, -0.0001509200000000, 0.0002972100000000 ] - [ 0.0009719300000000, 0.0003417100000000, 0.0006265900000000 ] - [ 0.0000205700000000, -0.0000972900000000, 0.0001274600000000 ] - [ 0.0003226700000000, 0.0004152900000000, -0.0000030500000000 ] - [ -0.0002127700000000, 0.0000018800000000, -0.0000414100000000 ] - [ 0.0004239500000000, -0.0002002700000000, 0.0000312000000000 ] - [ -0.0005113100000000, -0.0001374600000000, -0.0003892700000000 ] - [ 0.0037258000000000, -0.0007006800000000, 0.0000708600000000 ] - [ -0.0012482000000000, -0.0002261800000000, -0.0004256200000000 ] - [ -0.0008091300000000, -0.0013176400000000, -0.0024683900000000 ] - [ -0.0003995100000000, 0.0004137400000000, -0.0002875500000000 ] - [ -0.0023767800000000, -0.0018058400000000, 0.0007301100000000 ] - [ -0.0009116900000000, 0.0001591400000000, 0.0000891500000000 ] - [ -0.0001397200000000, -0.0001928500000000, 0.0000162300000000 ] - [ -0.0009704600000000, 0.0001125800000000, -0.0006073600000000 ] - [ -0.0005408800000000, -0.0005000100000000, -0.0001484700000000 ] - [ -0.0008025300000000, -0.0000498500000000, 0.0000264300000000 ] - [ -0.0005028900000000, 0.0002787300000000, 0.0002207200000000 ] - [ -0.0003530300000000, -0.0004889500000000, -0.0010840500000000 ] - [ -0.0000403900000000, 0.0003830100000000, -0.0005645400000000 ] - [ 0.0001350500000000, -0.0001699200000000, -0.0001593300000000 ] - [ -0.0014374300000000, 0.0002205800000000, -0.0003557800000000 ] - [ -0.0014721800000000, 0.0000846400000000, 0.0009656400000000 ] - [ -0.0004575500000000, 0.0002274900000000, 0.0000076400000000 ] - [ -0.0006199700000000, 0.0001466700000000, -0.0002626400000000 ] - [ -0.0004815500000000, 0.0006857800000000, 0.0000984000000000 ] - [ -0.0004348800000000, -0.0002776900000000, 0.0002272400000000 ] - [ -0.0000714100000000, -0.0002754200000000, -0.0002128200000000 ] - [ 0.0001002400000000, 0.0005567400000000, -0.0006941800000000 ] - [ -0.0002108200000000, -0.0002200100000000, 0.0002552300000000 ] - [ 0.0003417800000000, -0.0002240300000000, -0.0006034900000000 ] - [ -0.0002119800000000, -0.0005419800000000, 0.0001070500000000 ] - [ 0.0000251200000000, -0.0001998800000000, 0.0001857100000000 ]- atom: 13 displacement: [ -0.0099997439015081, 0.0000000000000000, -0.0000715674804079 ] forces: - [ 0.0001074300000000, 0.0000073900000000, 0.0003417400000000 ] - [ -0.0002628800000000, 0.0004428300000000, -0.0001603800000000 ] - [ -0.0013807400000000, -0.0035949200000000, 0.0007851400000000 ] - [ -0.0003637400000000, 0.0002323900000000, -0.0000896500000000 ] - [ 0.0004609900000000, -0.0000980200000000, 0.0000468700000000 ] - [ -0.0000866500000000, -0.0001493600000000, 0.0000537700000000 ] - [ 0.0007886000000000, 0.0029806400000000, -0.0019168800000000 ] - [ -0.0002734600000000, -0.0004060500000000, -0.0000234500000000 ] - [ 0.0008791100000000, 0.0008660800000000, 0.0006917100000000 ] - [ -0.0001744400000000, -0.0001173100000000, 0.0001288800000000 ] - [ 0.0002976100000000, -0.0000429900000000, 0.0000021000000000 ] - [ -0.0002505300000000, -0.0001757800000000, -0.0001676900000000 ] - [ 0.0348127400000000, -0.0066357400000000, 0.0022663200000000 ] - [ -0.0001721100000000, 0.0000725500000000, -0.0002424800000000 ] - [ 0.0003281400000000, 0.0001401100000000, 0.0002199700000000 ] - [ -0.0000274900000000, 0.0001346900000000, -0.0000504900000000 ] - [ 0.0017130900000000, 0.0005521500000000, 0.0000765000000000 ] - [ 0.0002574600000000, 0.0002277500000000, 0.0001392600000000 ] - [ 0.0018367700000000, 0.0017372400000000, 0.0007394600000000 ] - [ -0.0001593100000000, -0.0000090200000000, 0.0002448900000000 ] - [ 0.0005645200000000, -0.0001119500000000, 0.0004062900000000 ] - [ -0.0001035100000000, 0.0000904400000000, 0.0001069400000000 ] - [ 0.0013345000000000, 0.0003114900000000, -0.0033360500000000 ] - [ -0.0006956200000000, 0.0003423100000000, -0.0004459200000000 ] - [ 0.0008001300000000, -0.0000499000000000, 0.0005501000000000 ] - [ -0.0000969700000000, -0.0000556000000000, -0.0003458800000000 ] - [ 0.0006983100000000, 0.0003959800000000, 0.0003697100000000 ] - [ 0.0000281200000000, 0.0003617400000000, 0.0003149600000000 ] - [ 0.0009914900000000, -0.0019963300000000, 0.0017377600000000 ] - [ 0.0002205300000000, -0.0001885400000000, 0.0000902000000000 ] - [ 0.0000789400000000, -0.0003221700000000, -0.0005330500000000 ] - [ -0.0003283400000000, 0.0000422700000000, -0.0003780400000000 ] - [ 0.0005429100000000, 0.0001994000000000, 0.0007460700000000 ] - [ -0.0001315400000000, -0.0000097200000000, 0.0001884500000000 ] - [ -0.0004716600000000, -0.0013538500000000, -0.0004043000000000 ] - [ -0.0009048100000000, 0.0004090900000000, -0.0003003700000000 ] - [ -0.0040954100000000, 0.0004009500000000, 0.0043519500000000 ] - [ -0.0008153800000000, -0.0003547100000000, -0.0005555300000000 ] - [ -0.0000360400000000, 0.0000353300000000, 0.0001535400000000 ] - [ -0.0004374200000000, 0.0000633800000000, 0.0001559700000000 ] - [ 0.0005407600000000, -0.0003481400000000, 0.0005385900000000 ] - [ 0.0000743200000000, -0.0003543400000000, 0.0002579100000000 ] - [ -0.0005503900000000, 0.0007441100000000, -0.0008547700000000 ] - [ -0.0003993000000000, -0.0001924600000000, -0.0001089700000000 ] - [ -0.0007288500000000, 0.0009463500000000, -0.0000976300000000 ] - [ -0.0005070000000000, -0.0001607800000000, -0.0004113300000000 ] - [ -0.0002903400000000, -0.0000334000000000, 0.0000155300000000 ] - [ -0.0008094300000000, -0.0003866900000000, -0.0003873800000000 ] - [ -0.0004504500000000, -0.0000856600000000, -0.0005344900000000 ] - [ -0.0003020200000000, -0.0001644000000000, 0.0001394800000000 ] - [ -0.0001627800000000, -0.0000587300000000, 0.0003071600000000 ] - [ -0.0004780800000000, -0.0000235800000000, 0.0000664400000000 ] - [ -0.0002115600000000, -0.0000954600000000, -0.0001705500000000 ] - [ -0.0001700800000000, 0.0003843900000000, 0.0002003700000000 ] - [ -0.0003793400000000, -0.0001583800000000, 0.0000342300000000 ] - [ -0.0004793800000000, 0.0002395700000000, -0.0006126500000000 ] - [ -0.0003690200000000, 0.0000239000000000, 0.0000246700000000 ] - [ -0.0005266300000000, 0.0010126900000000, 0.0000006800000000 ] - [ -0.0008503800000000, 0.0002330700000000, 0.0000808900000000 ] - [ -0.0053484600000000, -0.0003796200000000, -0.0022866100000000 ] - [ -0.0002126000000000, -0.0000121900000000, 0.0000502400000000 ] - [ -0.0001406900000000, -0.0006271500000000, -0.0002684700000000 ] - [ -0.0001422800000000, -0.0002154200000000, -0.0000883700000000 ] - [ -0.0000701900000000, -0.0004788300000000, -0.0000282200000000 ] - [ -0.0054470700000000, 0.0006693300000000, 0.0064129500000000 ] - [ -0.0008748500000000, -0.0006641100000000, -0.0005456200000000 ] - [ 0.0019163300000000, 0.0006452900000000, -0.0037432000000000 ] - [ -0.0003284600000000, 0.0004532900000000, -0.0003196600000000 ] - [ 0.0007109100000000, -0.0005655200000000, 0.0004009300000000 ] - [ -0.0002929100000000, -0.0006790300000000, -0.0000298100000000 ] - [ 0.0008994200000000, 0.0007486200000000, 0.0003404600000000 ] - [ -0.0002441600000000, 0.0006341800000000, -0.0000090300000000 ] - [ -0.0057455200000000, -0.0017389500000000, -0.0022780700000000 ] - [ -0.0015383300000000, -0.0005162500000000, -0.0002300900000000 ] - [ -0.0004914100000000, 0.0003845100000000, 0.0001277400000000 ] - [ -0.0007540400000000, 0.0006708900000000, -0.0006902500000000 ] - [ -0.0005767400000000, -0.0003707700000000, -0.0000555300000000 ] - [ -0.0001397000000000, -0.0007367000000000, 0.0004549400000000 ] - [ -0.0004995400000000, 0.0002913100000000, 0.0001164600000000 ] - [ 0.0001219600000000, 0.0008304900000000, -0.0000666100000000 ] - [ 0.0003836900000000, -0.0001926500000000, -0.0019868400000000 ] - [ 0.0006242700000000, 0.0004591500000000, 0.0001185000000000 ] - [ -0.0006617200000000, -0.0000086600000000, -0.0005889500000000 ] - [ 0.0002943800000000, 0.0002391800000000, -0.0001110400000000 ] - [ -0.0078989400000000, 0.0028245700000000, 0.0020307800000000 ] - [ 0.0005122200000000, 0.0001281100000000, 0.0004087000000000 ] - [ -0.0051550900000000, -0.0016431300000000, -0.0023364800000000 ] - [ 0.0005464900000000, -0.0004074200000000, -0.0001484200000000 ] - [ -0.0019270100000000, 0.0014615500000000, -0.0030077900000000 ] - [ 0.0012398200000000, -0.0003372200000000, 0.0003146500000000 ] - [ -0.0008881800000000, -0.0001637600000000, -0.0004371800000000 ] - [ 0.0001926700000000, -0.0001973200000000, -0.0001815400000000 ] - [ -0.0007328100000000, -0.0001196400000000, 0.0005128200000000 ] - [ 0.0001835600000000, -0.0000837100000000, 0.0005081500000000 ] - [ -0.0012052100000000, 0.0002445500000000, 0.0004658900000000 ] - [ 0.0001859800000000, 0.0001840500000000, 0.0005504500000000 ] - [ -0.0035822100000000, -0.0001077900000000, -0.0004665500000000 ] - [ 0.0010580200000000, 0.0002709600000000, 0.0002517400000000 ] - [ -0.0002428300000000, -0.0000254800000000, -0.0000919400000000 ] - [ 0.0008989400000000, -0.0000606100000000, 0.0004444500000000 ] - [ -0.0013956900000000, 0.0001598500000000, -0.0003574000000000 ] - [ 0.0003344000000000, 0.0001280500000000, -0.0000958200000000 ] - [ -0.0007794700000000, 0.0000394600000000, 0.0000423800000000 ] - [ 0.0001306600000000, -0.0001961700000000, 0.0006273100000000 ] - [ -0.0000586400000000, -0.0003551100000000, -0.0000436400000000 ] - [ 0.0008995400000000, 0.0000822100000000, 0.0004558400000000 ] - [ -0.0001081800000000, -0.0001425800000000, 0.0004274200000000 ] - [ 0.0004323500000000, 0.0002719800000000, 0.0004677100000000 ] - [ -0.0006429900000000, -0.0000724600000000, -0.0004555300000000 ] - [ 0.0002961800000000, -0.0001365100000000, -0.0000346800000000 ] - [ -0.0050214400000000, 0.0008359700000000, -0.0007473900000000 ] - [ 0.0003295300000000, 0.0002404600000000, -0.0001564400000000 ] - [ 0.0012669100000000, 0.0016780000000000, 0.0015637400000000 ] - [ 0.0008501100000000, -0.0000637600000000, -0.0006337900000000 ] - [ 0.0026204200000000, 0.0015483800000000, -0.0003122000000000 ] - [ 0.0011261500000000, -0.0004283600000000, 0.0003369600000000 ] - [ -0.0007825200000000, 0.0001791700000000, -0.0006030100000000 ] - [ 0.0000551400000000, -0.0001282000000000, 0.0000245600000000 ] - [ -0.0004726700000000, 0.0001657000000000, 0.0000119500000000 ] - [ -0.0002067900000000, -0.0002858600000000, -0.0001620100000000 ] - [ 0.0009574800000000, -0.0006305900000000, -0.0011489700000000 ] - [ 0.0008055000000000, 0.0001368100000000, 0.0001553800000000 ] - [ 0.0004713500000000, -0.0003368300000000, -0.0000862600000000 ] - [ 0.0002968600000000, 0.0002172200000000, -0.0004907300000000 ] - [ 0.0019809400000000, 0.0001953000000000, 0.0009976900000000 ] - [ 0.0020067000000000, 0.0003409900000000, -0.0003151500000000 ] - [ -0.0005550800000000, 0.0001080500000000, -0.0001443000000000 ] - [ -0.0003895200000000, 0.0001909100000000, 0.0001280600000000 ] - [ 0.0003809900000000, -0.0000146000000000, 0.0003957800000000 ] - [ 0.0003342900000000, 0.0009489800000000, 0.0002646800000000 ] - [ 0.0005025200000000, 0.0002301600000000, -0.0004395200000000 ] - [ 0.0003333800000000, -0.0006046700000000, 0.0000433300000000 ] - [ 0.0007524200000000, -0.0002010500000000, 0.0003852500000000 ] - [ 0.0002115700000000, -0.0002021200000000, 0.0012428100000000 ] - [ 0.0001107300000000, -0.0001295600000000, 0.0003867500000000 ] - [ -0.0001242200000000, -0.0004736400000000, 0.0003091600000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002635900000000, 0.0003599000000000, -0.0002435800000000 ] - [ -0.0000075500000000, 0.0003404800000000, -0.0000402500000000 ] - [ 0.0033835600000000, 0.0027452800000000, -0.0010146400000000 ] - [ -0.0000700600000000, 0.0001150400000000, -0.0000333000000000 ] - [ 0.0001673700000000, 0.0006187700000000, 0.0002588800000000 ] - [ 0.0001517600000000, -0.0001064700000000, 0.0000801600000000 ] - [ -0.0027612700000000, 0.0042258000000000, -0.0035448700000000 ] - [ 0.0000615900000000, -0.0003589100000000, -0.0000232000000000 ] - [ -0.0003854600000000, 0.0023838400000000, 0.0014343500000000 ] - [ 0.0001465500000000, -0.0000223500000000, 0.0002102700000000 ] - [ -0.0000556600000000, -0.0001336600000000, -0.0004550700000000 ] - [ 0.0000138400000000, -0.0001507300000000, 0.0000062500000000 ] - [ 0.0068311700000000, -0.0283539100000000, -0.0055946200000000 ] - [ 0.0002393700000000, 0.0000395700000000, -0.0001827900000000 ] - [ 0.0001956700000000, 0.0003177000000000, 0.0000352900000000 ] - [ 0.0001681800000000, 0.0001837300000000, 0.0000662400000000 ] - [ 0.0004051100000000, 0.0009096200000000, -0.0014652800000000 ] - [ 0.0005662300000000, 0.0002704200000000, 0.0002506200000000 ] - [ -0.0013900700000000, 0.0066543300000000, 0.0017136700000000 ] - [ 0.0001344300000000, -0.0000250000000000, 0.0003132200000000 ] - [ 0.0000586600000000, 0.0003798500000000, 0.0006452700000000 ] - [ 0.0001316200000000, 0.0000549900000000, 0.0002010100000000 ] - [ -0.0000355300000000, -0.0013818300000000, 0.0003635400000000 ] - [ -0.0003250900000000, 0.0003183200000000, -0.0003550700000000 ] - [ 0.0002613300000000, -0.0002875500000000, -0.0001619200000000 ] - [ 0.0002560100000000, -0.0000827300000000, -0.0001708300000000 ] - [ 0.0001561600000000, 0.0010779600000000, 0.0003811800000000 ] - [ 0.0003308200000000, 0.0003779500000000, 0.0003692800000000 ] - [ 0.0017910600000000, 0.0006129600000000, -0.0012668700000000 ] - [ 0.0005183000000000, -0.0002802200000000, 0.0002255700000000 ] - [ -0.0000605500000000, 0.0000474100000000, -0.0000835600000000 ] - [ -0.0001692800000000, -0.0000548000000000, -0.0003450400000000 ] - [ 0.0001361700000000, 0.0001335600000000, 0.0005539900000000 ] - [ 0.0001263900000000, 0.0000268500000000, 0.0003142100000000 ] - [ 0.0007441200000000, 0.0016009800000000, 0.0001590800000000 ] - [ -0.0006409000000000, 0.0003081200000000, -0.0002353400000000 ] - [ -0.0011043300000000, -0.0018048200000000, 0.0003045000000000 ] - [ -0.0003064500000000, -0.0004005800000000, -0.0003916100000000 ] - [ -0.0002769000000000, 0.0002074000000000, 0.0001677800000000 ] - [ -0.0002477100000000, 0.0001156700000000, 0.0001648600000000 ] - [ 0.0003203500000000, -0.0001878700000000, 0.0003900000000000 ] - [ 0.0002930200000000, -0.0003062700000000, 0.0003474800000000 ] - [ -0.0005859500000000, 0.0001172300000000, -0.0005714800000000 ] - [ -0.0000234400000000, -0.0001202200000000, -0.0002047800000000 ] - [ -0.0008714300000000, 0.0003734900000000, -0.0001820900000000 ] - [ 0.0000537200000000, -0.0000209200000000, -0.0002966900000000 ] - [ -0.0006507500000000, -0.0002057500000000, -0.0002932500000000 ] - [ -0.0005093400000000, -0.0002394600000000, -0.0001943400000000 ] - [ -0.0001737200000000, -0.0002824800000000, -0.0000397600000000 ] - [ -0.0001896000000000, -0.0002909900000000, 0.0000000500000000 ] - [ -0.0002541900000000, 0.0001244300000000, 0.0001603700000000 ] - [ -0.0002877000000000, 0.0001083800000000, 0.0002209400000000 ] - [ 0.0001218100000000, 0.0002082900000000, 0.0000954300000000 ] - [ -0.0001600600000000, 0.0002693600000000, 0.0000858800000000 ] - [ -0.0000314800000000, -0.0000112900000000, -0.0002550800000000 ] - [ -0.0004422100000000, -0.0001478700000000, -0.0004599300000000 ] - [ 0.0001230400000000, 0.0004225400000000, 0.0000056500000000 ] - [ -0.0006377900000000, 0.0007393000000000, 0.0000651200000000 ] - [ -0.0002310900000000, 0.0000188100000000, -0.0000927800000000 ] - [ 0.0001030100000000, -0.0013077000000000, -0.0003626300000000 ] - [ -0.0000770700000000, -0.0001092000000000, 0.0000279700000000 ] - [ 0.0005211600000000, 0.0003878700000000, 0.0003953300000000 ] - [ -0.0001002200000000, -0.0003157400000000, -0.0000308800000000 ] - [ 0.0000596000000000, -0.0002480800000000, 0.0001566800000000 ] - [ -0.0017402700000000, -0.0031374200000000, 0.0023638900000000 ] - [ 0.0001880300000000, -0.0006232700000000, -0.0001686600000000 ] - [ 0.0005490100000000, -0.0022202600000000, 0.0031868200000000 ] - [ 0.0001982900000000, 0.0004683900000000, -0.0001520600000000 ] - [ 0.0005050300000000, 0.0005646100000000, -0.0005239200000000 ] - [ 0.0001882200000000, -0.0006134600000000, 0.0001578600000000 ] - [ 0.0006555300000000, 0.0021244800000000, -0.0006654000000000 ] - [ 0.0001995600000000, 0.0007068700000000, 0.0001673200000000 ] - [ -0.0002942500000000, -0.0030945800000000, -0.0004283800000000 ] - [ -0.0003650700000000, -0.0008129000000000, -0.0001128400000000 ] - [ -0.0002218600000000, 0.0002940500000000, -0.0001033700000000 ] - [ -0.0001237800000000, 0.0005068400000000, -0.0000309700000000 ] - [ -0.0001495300000000, -0.0001936800000000, 0.0001335000000000 ] - [ -0.0001581300000000, -0.0000419900000000, -0.0001438400000000 ] - [ -0.0002606000000000, 0.0006383200000000, 0.0001505200000000 ] - [ -0.0001015900000000, 0.0010352700000000, -0.0002177300000000 ] - [ 0.0003588200000000, 0.0008285200000000, -0.0009782800000000 ] - [ -0.0000065700000000, 0.0004065900000000, -0.0002406800000000 ] - [ -0.0003546700000000, -0.0005137000000000, -0.0003180400000000 ] - [ -0.0002737200000000, 0.0001100100000000, -0.0003155800000000 ] - [ -0.0044324600000000, 0.0055317200000000, 0.0017947400000000 ] - [ -0.0002418100000000, 0.0000931400000000, 0.0002981200000000 ] - [ 0.0017395000000000, 0.0055359800000000, 0.0028239100000000 ] - [ 0.0000817200000000, -0.0002962100000000, -0.0002398900000000 ] - [ 0.0000924300000000, 0.0030822800000000, 0.0000193500000000 ] - [ 0.0005310200000000, -0.0001198200000000, 0.0000748200000000 ] - [ -0.0002978700000000, -0.0009016300000000, -0.0001936900000000 ] - [ -0.0002634700000000, -0.0002655500000000, -0.0003218200000000 ] - [ -0.0001100400000000, 0.0004787300000000, -0.0003884400000000 ] - [ -0.0001964700000000, 0.0000232200000000, 0.0003334900000000 ] - [ -0.0005262000000000, -0.0017524600000000, 0.0016242800000000 ] - [ -0.0002145800000000, 0.0001468500000000, 0.0004721400000000 ] - [ 0.0005729700000000, 0.0037037800000000, -0.0003170300000000 ] - [ 0.0005278100000000, 0.0002153700000000, 0.0000766500000000 ] - [ 0.0004803900000000, -0.0009813500000000, 0.0001510700000000 ] - [ 0.0004770600000000, -0.0000315400000000, 0.0002987000000000 ] - [ -0.0006383100000000, -0.0022338400000000, 0.0006269200000000 ] - [ -0.0000918900000000, 0.0000966700000000, -0.0002044300000000 ] - [ -0.0003112500000000, -0.0008115000000000, 0.0008075300000000 ] - [ -0.0002059100000000, -0.0002106400000000, 0.0004648300000000 ] - [ 0.0005180600000000, -0.0016428100000000, -0.0001327600000000 ] - [ 0.0004481900000000, -0.0000632500000000, 0.0002837700000000 ] - [ 0.0002152000000000, 0.0004733400000000, 0.0004089200000000 ] - [ 0.0000621500000000, 0.0002104700000000, 0.0001580800000000 ] - [ -0.0002332200000000, -0.0006186000000000, 0.0000427700000000 ] - [ -0.0000989300000000, -0.0001732100000000, -0.0002165900000000 ] - [ -0.0007151300000000, 0.0030076600000000, 0.0000305200000000 ] - [ -0.0004201200000000, 0.0001587000000000, -0.0002665200000000 ] - [ -0.0008215000000000, 0.0010070600000000, -0.0008765800000000 ] - [ 0.0002998200000000, 0.0002383000000000, -0.0004906100000000 ] - [ -0.0008209000000000, 0.0008425200000000, 0.0001376800000000 ] - [ 0.0003494300000000, 0.0000735400000000, 0.0002394100000000 ] - [ -0.0005197900000000, 0.0003044500000000, -0.0003841000000000 ] - [ -0.0004893300000000, 0.0001530000000000, -0.0002725300000000 ] - [ -0.0007354600000000, -0.0006132800000000, -0.0001285900000000 ] - [ -0.0005117200000000, -0.0005422700000000, -0.0000943700000000 ] - [ 0.0004440300000000, 0.0000041600000000, -0.0006337900000000 ] - [ 0.0000283100000000, 0.0000005200000000, -0.0005835500000000 ] - [ 0.0003146000000000, -0.0002125600000000, -0.0002974900000000 ] - [ 0.0001154800000000, -0.0001552100000000, -0.0002692900000000 ] - [ 0.0005401400000000, 0.0006940400000000, 0.0004704700000000 ] - [ 0.0006453700000000, 0.0010928200000000, 0.0001309600000000 ] - [ -0.0004445800000000, 0.0000301100000000, -0.0000694400000000 ] - [ -0.0005017000000000, -0.0002498900000000, -0.0000688500000000 ] - [ 0.0001050000000000, 0.0000789000000000, 0.0003681600000000 ] - [ -0.0006337100000000, -0.0004146500000000, 0.0002449700000000 ] - [ 0.0001836400000000, -0.0001263700000000, -0.0003008000000000 ] - [ 0.0008155000000000, -0.0008902100000000, 0.0000715000000000 ] - [ 0.0003290300000000, -0.0000736700000000, 0.0003282300000000 ] - [ 0.0000869800000000, 0.0006702400000000, 0.0000413800000000 ] - [ -0.0000806800000000, -0.0004478100000000, 0.0001821100000000 ] - [ -0.0000112100000000, -0.0005107400000000, 0.0004069200000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001782900000000, 0.0003386000000000, 0.0002060700000000 ] - [ 0.0000926300000000, 0.0003611700000000, 0.0000045800000000 ] - [ -0.0033654800000000, -0.0024622700000000, 0.0009661700000000 ] - [ 0.0000582000000000, 0.0001576400000000, -0.0000047500000000 ] - [ 0.0001668000000000, -0.0009093600000000, -0.0001118200000000 ] - [ 0.0001786300000000, -0.0001834800000000, 0.0000657200000000 ] - [ 0.0028843000000000, -0.0049703600000000, 0.0035586300000000 ] - [ 0.0000233900000000, -0.0003430500000000, -0.0000127500000000 ] - [ 0.0006646900000000, -0.0024832700000000, -0.0010360200000000 ] - [ 0.0001256500000000, -0.0000572300000000, 0.0002020400000000 ] - [ 0.0000427700000000, -0.0001362000000000, 0.0004190200000000 ] - [ -0.0000258200000000, -0.0001223000000000, -0.0000441800000000 ] - [ -0.0066779800000000, 0.0283759200000000, 0.0050674400000000 ] - [ 0.0002639400000000, 0.0000809400000000, -0.0001719500000000 ] - [ 0.0001359600000000, -0.0000277600000000, 0.0001109100000000 ] - [ 0.0001623600000000, 0.0001063200000000, 0.0000795000000000 ] - [ 0.0007185400000000, -0.0003641500000000, 0.0019412000000000 ] - [ 0.0005597700000000, 0.0002799600000000, 0.0002358600000000 ] - [ 0.0016256800000000, -0.0066183100000000, -0.0010557100000000 ] - [ 0.0001231200000000, -0.0000246700000000, 0.0003191800000000 ] - [ 0.0002147300000000, -0.0003026200000000, -0.0002295200000000 ] - [ 0.0001405100000000, 0.0000248200000000, 0.0002113200000000 ] - [ -0.0005918200000000, 0.0020762000000000, -0.0010711600000000 ] - [ -0.0003097300000000, 0.0003703800000000, -0.0003802500000000 ] - [ 0.0002412500000000, 0.0001675000000000, -0.0001930300000000 ] - [ 0.0002471000000000, -0.0000376700000000, -0.0001837900000000 ] - [ 0.0004746500000000, -0.0003884800000000, 0.0003518100000000 ] - [ 0.0003049100000000, 0.0003107200000000, 0.0003661400000000 ] - [ -0.0006744700000000, -0.0011579600000000, 0.0017613800000000 ] - [ 0.0006076900000000, -0.0002700400000000, 0.0002607300000000 ] - [ -0.0001971200000000, -0.0000937500000000, -0.0005496400000000 ] - [ -0.0000876300000000, 0.0000070200000000, -0.0002870600000000 ] - [ 0.0001214100000000, -0.0000821200000000, 0.0000766900000000 ] - [ 0.0001310700000000, 0.0000225000000000, 0.0003184200000000 ] - [ -0.0018834000000000, -0.0010533200000000, -0.0006494800000000 ] - [ -0.0004844500000000, 0.0002433600000000, -0.0002510000000000 ] - [ 0.0004901500000000, 0.0011075000000000, -0.0010573200000000 ] - [ -0.0003287300000000, -0.0002880600000000, -0.0003437700000000 ] - [ -0.0002278500000000, -0.0000870600000000, 0.0001857800000000 ] - [ -0.0002546300000000, 0.0000045500000000, 0.0001899900000000 ] - [ 0.0003133200000000, -0.0005007500000000, 0.0003454600000000 ] - [ 0.0003424300000000, -0.0003825700000000, 0.0003882300000000 ] - [ 0.0003129800000000, -0.0002008500000000, 0.0001596600000000 ] - [ -0.0002482400000000, 0.0000390100000000, -0.0002076600000000 ] - [ 0.0006104600000000, -0.0003280000000000, -0.0004503600000000 ] - [ -0.0003104600000000, 0.0000685200000000, -0.0003351200000000 ] - [ -0.0004760800000000, -0.0003472800000000, -0.0001937000000000 ] - [ -0.0006163700000000, -0.0003118200000000, -0.0002921700000000 ] - [ -0.0001560300000000, -0.0000074200000000, -0.0001051500000000 ] - [ -0.0001419800000000, 0.0000016100000000, -0.0001467800000000 ] - [ -0.0002512800000000, -0.0002446800000000, 0.0001942500000000 ] - [ -0.0002140600000000, -0.0002290600000000, 0.0001341800000000 ] - [ -0.0001102700000000, 0.0000664100000000, -0.0000576400000000 ] - [ 0.0001729000000000, 0.0000059500000000, -0.0000476400000000 ] - [ -0.0002403500000000, 0.0000929400000000, -0.0001572700000000 ] - [ 0.0001720900000000, 0.0002303400000000, 0.0000486700000000 ] - [ -0.0002083900000000, 0.0002812800000000, 0.0000301800000000 ] - [ 0.0005575800000000, -0.0000358400000000, -0.0000297800000000 ] - [ -0.0000977200000000, 0.0002712600000000, -0.0000535400000000 ] - [ -0.0004492000000000, 0.0015967000000000, 0.0002123000000000 ] - [ 0.0000890000000000, -0.0001654400000000, 0.0000100000000000 ] - [ -0.0005059200000000, -0.0006623000000000, -0.0003547600000000 ] - [ 0.0000154300000000, -0.0003874900000000, 0.0000669000000000 ] - [ -0.0001443800000000, -0.0004561800000000, -0.0001219000000000 ] - [ 0.0021852600000000, 0.0021396500000000, -0.0026453000000000 ] - [ 0.0002735400000000, -0.0003924300000000, -0.0001246700000000 ] - [ -0.0000923000000000, 0.0032278300000000, -0.0035031500000000 ] - [ 0.0002613900000000, 0.0005483400000000, -0.0001425100000000 ] - [ -0.0000953200000000, -0.0018757100000000, 0.0008415800000000 ] - [ 0.0002175700000000, -0.0006993700000000, 0.0001676900000000 ] - [ -0.0002486400000000, -0.0008147900000000, 0.0010021600000000 ] - [ 0.0002066200000000, 0.0006057600000000, 0.0001579900000000 ] - [ -0.0000955800000000, 0.0017966600000000, 0.0001106600000000 ] - [ -0.0000433900000000, -0.0004985600000000, -0.0002131700000000 ] - [ -0.0001819700000000, 0.0010173300000000, -0.0002222100000000 ] - [ -0.0002846000000000, 0.0008050600000000, -0.0002964400000000 ] - [ -0.0003103500000000, -0.0008245800000000, 0.0001599200000000 ] - [ -0.0002955400000000, -0.0009752500000000, 0.0004371500000000 ] - [ -0.0001989700000000, 0.0003793800000000, 0.0001430600000000 ] - [ -0.0003542800000000, -0.0000202900000000, 0.0005160500000000 ] - [ -0.0002585100000000, -0.0001629300000000, 0.0004833900000000 ] - [ 0.0001071700000000, 0.0002656400000000, -0.0002531900000000 ] - [ -0.0001917700000000, 0.0009339500000000, -0.0003209500000000 ] - [ -0.0002662100000000, 0.0003088500000000, -0.0003247700000000 ] - [ 0.0042038100000000, -0.0055836300000000, -0.0012095000000000 ] - [ -0.0001903900000000, -0.0000474100000000, 0.0003539800000000 ] - [ -0.0015116900000000, -0.0060567000000000, -0.0031163300000000 ] - [ 0.0000189400000000, -0.0003768900000000, -0.0002525200000000 ] - [ 0.0009381900000000, -0.0034138600000000, 0.0000949600000000 ] - [ 0.0004802300000000, -0.0002162100000000, 0.0000612500000000 ] - [ -0.0002464700000000, 0.0004846000000000, -0.0004513300000000 ] - [ -0.0002771100000000, -0.0001530500000000, -0.0003188400000000 ] - [ -0.0003234100000000, -0.0005217900000000, 0.0010443600000000 ] - [ -0.0002353200000000, -0.0000691400000000, 0.0003185100000000 ] - [ 0.0000727400000000, 0.0020910700000000, -0.0006887400000000 ] - [ -0.0002361300000000, 0.0002025300000000, 0.0004512500000000 ] - [ 0.0004442100000000, -0.0033705300000000, 0.0004709100000000 ] - [ 0.0004839400000000, 0.0001204700000000, 0.0000595300000000 ] - [ 0.0004406400000000, 0.0009961100000000, 0.0004380200000000 ] - [ 0.0004411800000000, 0.0000467400000000, 0.0002843300000000 ] - [ 0.0004267300000000, 0.0025229500000000, -0.0010610700000000 ] - [ -0.0001249800000000, 0.0001763800000000, -0.0002197600000000 ] - [ -0.0001386100000000, 0.0004609600000000, 0.0001111900000000 ] - [ -0.0002450800000000, -0.0001376100000000, 0.0004590500000000 ] - [ 0.0004070400000000, 0.0016256200000000, 0.0007087600000000 ] - [ 0.0004698500000000, 0.0000484000000000, 0.0002991200000000 ] - [ 0.0000014100000000, -0.0001962500000000, 0.0000145200000000 ] - [ 0.0001548600000000, 0.0000644600000000, 0.0002679400000000 ] - [ 0.0000152100000000, 0.0003484300000000, -0.0004628300000000 ] - [ -0.0001177600000000, -0.0000996100000000, -0.0002077300000000 ] - [ -0.0002476700000000, -0.0029846300000000, -0.0006205600000000 ] - [ -0.0004984100000000, -0.0001433000000000, -0.0003165700000000 ] - [ 0.0012720800000000, -0.0006701300000000, -0.0000492600000000 ] - [ 0.0001513300000000, 0.0001087000000000, -0.0004331700000000 ] - [ 0.0010349100000000, -0.0011265200000000, 0.0002872100000000 ] - [ -0.0001321300000000, -0.0003488200000000, 0.0001852400000000 ] - [ -0.0004009600000000, -0.0003210000000000, -0.0002013300000000 ] - [ -0.0004288500000000, -0.0001693700000000, -0.0003109200000000 ] - [ -0.0002732900000000, 0.0002768300000000, -0.0000065200000000 ] - [ -0.0005025700000000, 0.0002048200000000, -0.0000418100000000 ] - [ 0.0000040100000000, -0.0003488600000000, -0.0002887600000000 ] - [ 0.0004241500000000, -0.0003474900000000, -0.0003398500000000 ] - [ 0.0001170600000000, 0.0002618200000000, -0.0003539200000000 ] - [ 0.0003137900000000, 0.0002042700000000, -0.0003809300000000 ] - [ -0.0000051900000000, -0.0002771900000000, 0.0001671600000000 ] - [ -0.0001006700000000, -0.0006719300000000, 0.0005102500000000 ] - [ -0.0005655600000000, 0.0003064300000000, -0.0000663100000000 ] - [ -0.0005127300000000, 0.0005897600000000, -0.0000688900000000 ] - [ -0.0002055700000000, 0.0005955200000000, 0.0001256900000000 ] - [ 0.0005276900000000, 0.0010865800000000, 0.0002467600000000 ] - [ 0.0002477400000000, 0.0000779500000000, -0.0003504600000000 ] - [ -0.0003909900000000, 0.0008468500000000, -0.0007262500000000 ] - [ 0.0002106300000000, -0.0003448100000000, 0.0003122100000000 ] - [ 0.0004579000000000, -0.0010921600000000, 0.0006013300000000 ] - [ -0.0000200000000000, -0.0002265200000000, 0.0003111300000000 ] - [ -0.0000908200000000, -0.0001633300000000, 0.0000844800000000 ]- atom: 13 displacement: [ -0.0030577532044204, 0.0000000000000000, 0.0095210369887348 ] forces: - [ -0.0003839100000000, -0.0000472300000000, 0.0004960200000000 ] - [ 0.0000714000000000, 0.0003481600000000, -0.0000342300000000 ] - [ -0.0014644400000000, -0.0024099900000000, -0.0012168200000000 ] - [ -0.0000446100000000, 0.0001357400000000, -0.0000484900000000 ] - [ 0.0002945900000000, -0.0000717600000000, -0.0002798700000000 ] - [ 0.0001258000000000, -0.0001444500000000, 0.0000702000000000 ] - [ 0.0020097900000000, -0.0030162800000000, -0.0007347900000000 ] - [ -0.0000111000000000, -0.0003529000000000, -0.0000026000000000 ] - [ 0.0001047900000000, 0.0013697400000000, 0.0002016600000000 ] - [ 0.0000983100000000, -0.0000383400000000, 0.0001939800000000 ] - [ 0.0001629200000000, -0.0006468100000000, 0.0006841300000000 ] - [ 0.0000227300000000, -0.0001363800000000, 0.0000204700000000 ] - [ 0.0086340900000000, -0.0070593600000000, -0.0257491700000000 ] - [ 0.0001844600000000, 0.0000587300000000, -0.0001885300000000 ] - [ 0.0000837600000000, 0.0000948900000000, 0.0003659800000000 ] - [ 0.0001956900000000, 0.0001546800000000, 0.0000748500000000 ] - [ 0.0010217400000000, -0.0014887900000000, 0.0013055900000000 ] - [ 0.0005474900000000, 0.0002778700000000, 0.0002899900000000 ] - [ 0.0002230900000000, 0.0022328100000000, -0.0011965300000000 ] - [ 0.0000982800000000, -0.0000330800000000, 0.0002986100000000 ] - [ -0.0000432600000000, 0.0004064600000000, 0.0006710900000000 ] - [ 0.0001637500000000, 0.0000439700000000, 0.0002107100000000 ] - [ 0.0029619800000000, 0.0005581600000000, 0.0056545900000000 ] - [ -0.0003578900000000, 0.0003274700000000, -0.0002684900000000 ] - [ -0.0002857800000000, -0.0000716300000000, 0.0015284600000000 ] - [ 0.0003054500000000, -0.0000649300000000, -0.0001667300000000 ] - [ 0.0003775700000000, 0.0004258800000000, 0.0000903900000000 ] - [ 0.0002625500000000, 0.0003542900000000, 0.0003587200000000 ] - [ -0.0004755300000000, -0.0024544700000000, 0.0010749000000000 ] - [ 0.0005578100000000, -0.0002665100000000, 0.0001883400000000 ] - [ 0.0000711600000000, 0.0003151500000000, 0.0000425800000000 ] - [ -0.0001164100000000, -0.0000508800000000, -0.0001626400000000 ] - [ -0.0000272900000000, 0.0002917500000000, 0.0010214000000000 ] - [ 0.0001556900000000, 0.0000185200000000, 0.0003306700000000 ] - [ -0.0002884000000000, 0.0004383100000000, -0.0009237800000000 ] - [ -0.0006662800000000, 0.0003157000000000, -0.0002542600000000 ] - [ -0.0060785100000000, 0.0004787300000000, 0.0024371800000000 ] - [ -0.0002903800000000, -0.0003715400000000, -0.0004780500000000 ] - [ -0.0001635000000000, 0.0000612600000000, 0.0001898700000000 ] - [ -0.0002886800000000, 0.0000731400000000, 0.0002935500000000 ] - [ 0.0002291400000000, -0.0003823900000000, 0.0006060500000000 ] - [ 0.0003659900000000, -0.0003332500000000, 0.0003749500000000 ] - [ 0.0002198300000000, -0.0001635000000000, -0.0003287000000000 ] - [ -0.0003273500000000, -0.0001522200000000, -0.0000501500000000 ] - [ -0.0005755900000000, 0.0004420400000000, -0.0005258500000000 ] - [ -0.0001165200000000, -0.0000088800000000, -0.0004974400000000 ] - [ -0.0006004900000000, -0.0002784700000000, 0.0001423600000000 ] - [ -0.0004769500000000, -0.0002417600000000, -0.0002020800000000 ] - [ 0.0000552900000000, -0.0001861700000000, 0.0000081600000000 ] - [ -0.0004084700000000, -0.0002164400000000, 0.0006754800000000 ] - [ -0.0003475300000000, -0.0000759200000000, 0.0001638800000000 ] - [ -0.0002137800000000, -0.0000075300000000, 0.0000449500000000 ] - [ 0.0000909000000000, 0.0002090700000000, -0.0000271800000000 ] - [ -0.0001817900000000, 0.0002868500000000, 0.0002532500000000 ] - [ -0.0004132600000000, -0.0000222800000000, -0.0000201300000000 ] - [ 0.0000701700000000, -0.0000744000000000, -0.0004192900000000 ] - [ -0.0000848400000000, 0.0002920000000000, -0.0000845900000000 ] - [ -0.0002193100000000, 0.0006751600000000, -0.0002522900000000 ] - [ -0.0004060900000000, 0.0001667300000000, -0.0001042500000000 ] - [ 0.0002571800000000, -0.0001941700000000, -0.0018808300000000 ] - [ -0.0000612400000000, -0.0000987900000000, 0.0000655500000000 ] - [ 0.0003187900000000, 0.0001648000000000, -0.0000832400000000 ] - [ 0.0000011700000000, -0.0003875300000000, 0.0000819100000000 ] - [ -0.0000292300000000, -0.0002071900000000, 0.0003105500000000 ] - [ -0.0080456500000000, 0.0025793400000000, 0.0040374400000000 ] - [ 0.0002372800000000, -0.0005370700000000, -0.0002521200000000 ] - [ 0.0046711100000000, 0.0037520800000000, 0.0085066000000000 ] - [ 0.0002053100000000, 0.0004903400000000, -0.0000779600000000 ] - [ 0.0001170800000000, -0.0006827300000000, 0.0002312100000000 ] - [ 0.0001906300000000, -0.0006488500000000, 0.0001817600000000 ] - [ 0.0003363000000000, 0.0005568100000000, 0.0001421300000000 ] - [ 0.0001975900000000, 0.0006677400000000, 0.0001402600000000 ] - [ 0.0000327200000000, -0.0009996700000000, -0.0020254300000000 ] - [ -0.0011192300000000, -0.0003984900000000, -0.0004534100000000 ] - [ -0.0003833700000000, 0.0005677600000000, 0.0008840900000000 ] - [ 0.0006543300000000, 0.0009333800000000, 0.0001814300000000 ] - [ -0.0001966200000000, -0.0004752500000000, -0.0000030700000000 ] - [ -0.0003857500000000, -0.0004551200000000, 0.0001515500000000 ] - [ -0.0002743200000000, 0.0005108700000000, 0.0003082200000000 ] - [ -0.0000750100000000, 0.0005825200000000, 0.0001799900000000 ] - [ 0.0011779800000000, -0.0007556700000000, -0.0020107600000000 ] - [ -0.0000622500000000, 0.0003589700000000, -0.0002178100000000 ] - [ -0.0000795500000000, 0.0000372400000000, -0.0003531100000000 ] - [ -0.0002676000000000, 0.0001962800000000, -0.0002769100000000 ] - [ -0.0034205300000000, 0.0012295200000000, 0.0047661700000000 ] - [ -0.0001100600000000, 0.0000180000000000, 0.0004005800000000 ] - [ -0.0007163600000000, 0.0000447500000000, 0.0044100000000000 ] - [ 0.0001477500000000, -0.0003305300000000, -0.0002674700000000 ] - [ 0.0025963300000000, 0.0016279100000000, -0.0025825000000000 ] - [ 0.0005230400000000, -0.0001619200000000, 0.0000781800000000 ] - [ -0.0004411800000000, -0.0003409600000000, -0.0003817400000000 ] - [ -0.0002540600000000, -0.0002168700000000, -0.0003564300000000 ] - [ -0.0001714800000000, -0.0010164500000000, -0.0018151900000000 ] - [ -0.0002867900000000, -0.0000175100000000, 0.0002687700000000 ] - [ -0.0004648500000000, 0.0007400400000000, 0.0011094300000000 ] - [ -0.0001802900000000, 0.0001649000000000, 0.0004430500000000 ] - [ 0.0002342400000000, 0.0014310100000000, 0.0000631200000000 ] - [ 0.0005138200000000, 0.0001784500000000, 0.0000674000000000 ] - [ 0.0003230500000000, -0.0002180200000000, 0.0000413800000000 ] - [ 0.0004797000000000, -0.0000017700000000, 0.0002582100000000 ] - [ -0.0003299000000000, 0.0006400200000000, 0.0004437300000000 ] - [ -0.0000507500000000, 0.0001189600000000, -0.0001774800000000 ] - [ -0.0001724300000000, 0.0003482800000000, -0.0000885100000000 ] - [ -0.0002563400000000, -0.0001915400000000, 0.0004851700000000 ] - [ 0.0006432000000000, -0.0002669200000000, 0.0002217600000000 ] - [ 0.0004485400000000, -0.0000168200000000, 0.0003296300000000 ] - [ -0.0004237300000000, 0.0004597000000000, -0.0008499900000000 ] - [ -0.0000387500000000, 0.0000283200000000, -0.0001428900000000 ] - [ 0.0000834800000000, 0.0002282000000000, -0.0006788000000000 ] - [ -0.0001459800000000, -0.0001524200000000, -0.0002440000000000 ] - [ -0.0012260200000000, 0.0003966300000000, 0.0026483800000000 ] - [ -0.0001195100000000, 0.0001436600000000, -0.0001535700000000 ] - [ -0.0014090500000000, -0.0000788600000000, 0.0001156400000000 ] - [ 0.0006026800000000, 0.0000200700000000, -0.0006702500000000 ] - [ 0.0012892900000000, 0.0002640400000000, 0.0013696800000000 ] - [ 0.0003928900000000, -0.0001757300000000, 0.0005653900000000 ] - [ -0.0001127000000000, -0.0000666800000000, -0.0017590700000000 ] - [ -0.0007828000000000, 0.0001189400000000, -0.0004213300000000 ] - [ -0.0005574200000000, -0.0002072100000000, 0.0000752600000000 ] - [ -0.0003358700000000, -0.0002760700000000, -0.0000804700000000 ] - [ 0.0012117900000000, -0.0005423600000000, -0.0012403800000000 ] - [ -0.0002053800000000, -0.0002287500000000, -0.0003082200000000 ] - [ 0.0001361000000000, 0.0000274900000000, -0.0002319300000000 ] - [ 0.0004672700000000, 0.0001231000000000, -0.0005113500000000 ] - [ 0.0003009400000000, 0.0003040900000000, 0.0006646200000000 ] - [ 0.0023007900000000, 0.0002044900000000, 0.0006124700000000 ] - [ -0.0004718700000000, 0.0001738200000000, -0.0002013600000000 ] - [ -0.0006517700000000, 0.0000463600000000, -0.0001816600000000 ] - [ 0.0000474500000000, 0.0002379200000000, 0.0003948300000000 ] - [ 0.0001704100000000, 0.0005840400000000, 0.0006076400000000 ] - [ 0.0003302600000000, 0.0000238800000000, -0.0004285100000000 ] - [ -0.0001707900000000, 0.0001109700000000, -0.0000896500000000 ] - [ 0.0003097900000000, -0.0001985600000000, 0.0000823500000000 ] - [ -0.0015450200000000, -0.0002588000000000, -0.0006611300000000 ] - [ -0.0001181600000000, -0.0004239300000000, 0.0000900300000000 ] - [ -0.0002088700000000, -0.0001912000000000, -0.0000031100000000 ]- atom: 13 displacement: [ 0.0030577532044204, 0.0000000000000000, -0.0095210369887348 ] forces: - [ 0.0004705400000000, 0.0007516600000000, -0.0005330300000000 ] - [ 0.0000142200000000, 0.0003538300000000, -0.0000007600000000 ] - [ 0.0014479500000000, 0.0026855100000000, 0.0011914800000000 ] - [ 0.0000335400000000, 0.0001372500000000, 0.0000102600000000 ] - [ 0.0000353500000000, -0.0002184300000000, 0.0004262000000000 ] - [ 0.0002052800000000, -0.0001454600000000, 0.0000754900000000 ] - [ -0.0019233500000000, 0.0023178600000000, 0.0006802500000000 ] - [ 0.0000962800000000, -0.0003495700000000, -0.0000334500000000 ] - [ 0.0001649500000000, -0.0014513400000000, 0.0002151400000000 ] - [ 0.0001744000000000, -0.0000413600000000, 0.0002182900000000 ] - [ -0.0001735600000000, 0.0003703200000000, -0.0007198600000000 ] - [ -0.0000347300000000, -0.0001371600000000, -0.0000580900000000 ] - [ -0.0083848800000000, 0.0072197300000000, 0.0251832000000000 ] - [ 0.0003191900000000, 0.0000615400000000, -0.0001663800000000 ] - [ 0.0002471900000000, 0.0001949400000000, -0.0002201300000000 ] - [ 0.0001351500000000, 0.0001353000000000, 0.0000716200000000 ] - [ 0.0000990100000000, 0.0020511600000000, -0.0008203700000000 ] - [ 0.0005786700000000, 0.0002731700000000, 0.0001970300000000 ] - [ 0.0000385500000000, -0.0023014000000000, 0.0018127100000000 ] - [ 0.0001592800000000, -0.0000162500000000, 0.0003338300000000 ] - [ 0.0003155500000000, -0.0003239100000000, -0.0002597100000000 ] - [ 0.0001085200000000, 0.0000360000000000, 0.0002017000000000 ] - [ -0.0036482200000000, 0.0001270500000000, -0.0064538700000000 ] - [ -0.0002761300000000, 0.0003610000000000, -0.0004664600000000 ] - [ 0.0007911700000000, -0.0000481900000000, -0.0018830000000000 ] - [ 0.0001979300000000, -0.0000553400000000, -0.0001876600000000 ] - [ 0.0002566100000000, 0.0002620800000000, 0.0006454300000000 ] - [ 0.0003728200000000, 0.0003342600000000, 0.0003766600000000 ] - [ 0.0015952400000000, 0.0018890300000000, -0.0005910900000000 ] - [ 0.0005681100000000, -0.0002843900000000, 0.0002980800000000 ] - [ -0.0003306800000000, -0.0003660600000000, -0.0006749600000000 ] - [ -0.0001400600000000, 0.0000018500000000, -0.0004696900000000 ] - [ 0.0002842100000000, -0.0002457600000000, -0.0003904000000000 ] - [ 0.0001018500000000, 0.0000305200000000, 0.0003022200000000 ] - [ -0.0008333700000000, 0.0001209500000000, 0.0004390700000000 ] - [ -0.0004589300000000, 0.0002350600000000, -0.0002318600000000 ] - [ 0.0053771100000000, -0.0011588800000000, -0.0031584400000000 ] - [ -0.0003444000000000, -0.0003169700000000, -0.0002571400000000 ] - [ -0.0003403000000000, 0.0000591100000000, 0.0001657000000000 ] - [ -0.0002137800000000, 0.0000470200000000, 0.0000613800000000 ] - [ 0.0004052800000000, -0.0003064000000000, 0.0001287500000000 ] - [ 0.0002690800000000, -0.0003553300000000, 0.0003604800000000 ] - [ -0.0004913600000000, 0.0000800800000000, -0.0000784700000000 ] - [ 0.0000558900000000, 0.0000727400000000, -0.0003617500000000 ] - [ 0.0003200700000000, -0.0003942400000000, -0.0001113200000000 ] - [ -0.0001404200000000, 0.0000577400000000, -0.0001346500000000 ] - [ -0.0005255200000000, -0.0002708100000000, -0.0006296000000000 ] - [ -0.0006483300000000, -0.0003087000000000, -0.0002843400000000 ] - [ -0.0003872100000000, -0.0001040200000000, -0.0001517600000000 ] - [ 0.0000782900000000, -0.0000733200000000, -0.0008218700000000 ] - [ -0.0001552600000000, -0.0000445400000000, 0.0001900700000000 ] - [ -0.0002890700000000, -0.0001126300000000, 0.0003101300000000 ] - [ -0.0000786200000000, 0.0000648500000000, 0.0000660800000000 ] - [ 0.0001945800000000, -0.0000142600000000, -0.0002144000000000 ] - [ 0.0001397800000000, 0.0001008600000000, -0.0003934400000000 ] - [ -0.0003418100000000, 0.0001540500000000, 0.0000066400000000 ] - [ 0.0000007300000000, 0.0004109100000000, 0.0001198700000000 ] - [ 0.0001356400000000, 0.0000263000000000, 0.0002890800000000 ] - [ 0.0000765900000000, 0.0001231500000000, -0.0000444500000000 ] - [ -0.0006037000000000, 0.0004835000000000, 0.0017308400000000 ] - [ 0.0000733200000000, -0.0001745500000000, -0.0000283000000000 ] - [ -0.0003060100000000, -0.0004374800000000, 0.0001212400000000 ] - [ -0.0000868400000000, -0.0003143900000000, -0.0000451600000000 ] - [ -0.0000552300000000, -0.0004942800000000, -0.0002753300000000 ] - [ 0.0086146200000000, -0.0036191200000000, -0.0043814000000000 ] - [ 0.0002260300000000, -0.0004782800000000, -0.0000403200000000 ] - [ -0.0041507800000000, -0.0027060100000000, -0.0086925700000000 ] - [ 0.0002525300000000, 0.0005271700000000, -0.0002166100000000 ] - [ 0.0002884200000000, -0.0006290700000000, 0.0000964800000000 ] - [ 0.0002165300000000, -0.0006633300000000, 0.0001443200000000 ] - [ 0.0000698200000000, 0.0007530600000000, 0.0001794500000000 ] - [ 0.0002089700000000, 0.0006445900000000, 0.0001852400000000 ] - [ -0.0004105300000000, -0.0002928300000000, 0.0017096100000000 ] - [ 0.0007153300000000, -0.0009149800000000, 0.0001300100000000 ] - [ -0.0000267000000000, 0.0007448900000000, -0.0012113400000000 ] - [ -0.0010574000000000, 0.0003798300000000, -0.0005076800000000 ] - [ -0.0002608300000000, -0.0005413500000000, 0.0002972900000000 ] - [ -0.0000728300000000, -0.0005612900000000, 0.0001425500000000 ] - [ -0.0001848600000000, 0.0005066300000000, -0.0000151200000000 ] - [ -0.0003838900000000, 0.0004333600000000, 0.0001128600000000 ] - [ -0.0010833700000000, 0.0014296200000000, 0.0015196900000000 ] - [ 0.0001622700000000, 0.0003136000000000, -0.0002766900000000 ] - [ -0.0004612100000000, 0.0003839200000000, -0.0002880200000000 ] - [ -0.0002742900000000, 0.0002239800000000, -0.0003642800000000 ] - [ 0.0030914900000000, -0.0012518500000000, -0.0041363400000000 ] - [ -0.0003227700000000, 0.0000283500000000, 0.0002516700000000 ] - [ 0.0008657200000000, -0.0006608000000000, -0.0048282100000000 ] - [ -0.0000467000000000, -0.0003432000000000, -0.0002240500000000 ] - [ -0.0014980900000000, -0.0019587400000000, 0.0025990800000000 ] - [ 0.0004869200000000, -0.0001741000000000, 0.0000574900000000 ] - [ -0.0000990700000000, -0.0000791800000000, -0.0002576900000000 ] - [ -0.0002866900000000, -0.0002034300000000, -0.0002843300000000 ] - [ -0.0002634900000000, 0.0009678500000000, 0.0024625200000000 ] - [ -0.0001439900000000, -0.0000295500000000, 0.0003826900000000 ] - [ 0.0000170900000000, -0.0003915200000000, -0.0001905800000000 ] - [ -0.0002708100000000, 0.0001834400000000, 0.0004804900000000 ] - [ 0.0007756100000000, -0.0011270600000000, 0.0003561500000000 ] - [ 0.0004982600000000, 0.0001579400000000, 0.0000689500000000 ] - [ 0.0005973600000000, 0.0002333400000000, 0.0005410500000000 ] - [ 0.0004380700000000, 0.0000170100000000, 0.0003247200000000 ] - [ 0.0001137600000000, -0.0003682800000000, -0.0008637400000000 ] - [ -0.0001663400000000, 0.0001547600000000, -0.0002469800000000 ] - [ -0.0002790500000000, -0.0006923500000000, 0.0010132900000000 ] - [ -0.0001945400000000, -0.0001561800000000, 0.0004387400000000 ] - [ 0.0002750500000000, 0.0002543600000000, 0.0003650500000000 ] - [ 0.0004696000000000, 0.0000017000000000, 0.0002533600000000 ] - [ 0.0006457600000000, -0.0001894700000000, 0.0012763300000000 ] - [ 0.0002536900000000, 0.0002454600000000, 0.0005681400000000 ] - [ -0.0003005500000000, -0.0005037400000000, 0.0002546000000000 ] - [ -0.0000712200000000, -0.0001212200000000, -0.0001809800000000 ] - [ 0.0002853000000000, -0.0003777600000000, -0.0032302400000000 ] - [ -0.0008007500000000, -0.0001293900000000, -0.0004304200000000 ] - [ 0.0018609900000000, 0.0004216400000000, -0.0010536000000000 ] - [ -0.0001539500000000, 0.0003288500000000, -0.0002537800000000 ] - [ -0.0010783400000000, -0.0005434400000000, -0.0009322900000000 ] - [ -0.0001761000000000, -0.0000978800000000, -0.0001418100000000 ] - [ -0.0008026300000000, 0.0000533700000000, 0.0011789000000000 ] - [ -0.0001371500000000, -0.0001337200000000, -0.0001622700000000 ] - [ -0.0004564300000000, -0.0001314000000000, -0.0002122900000000 ] - [ -0.0006765600000000, -0.0000602500000000, -0.0000563400000000 ] - [ -0.0007552200000000, 0.0001891500000000, 0.0003182700000000 ] - [ 0.0006554900000000, -0.0001198000000000, -0.0006144700000000 ] - [ 0.0002942100000000, 0.0000212600000000, -0.0004211000000000 ] - [ -0.0000368300000000, -0.0000765500000000, -0.0001403400000000 ] - [ 0.0002305000000000, 0.0001129500000000, -0.0000279300000000 ] - [ -0.0017672800000000, 0.0002172800000000, 0.0000258700000000 ] - [ -0.0005392900000000, 0.0001616200000000, 0.0000657100000000 ] - [ -0.0003613700000000, 0.0002910300000000, 0.0000454600000000 ] - [ -0.0001503800000000, 0.0004356300000000, 0.0000992200000000 ] - [ -0.0002721000000000, 0.0000883000000000, -0.0001147300000000 ] - [ 0.0001001700000000, -0.0000713000000000, -0.0002215400000000 ] - [ 0.0006016700000000, -0.0001579900000000, -0.0005617400000000 ] - [ 0.0002335800000000, -0.0002208900000000, 0.0005595600000000 ] - [ 0.0020785700000000, -0.0001637400000000, 0.0012990900000000 ] - [ 0.0000176000000000, -0.0002491500000000, 0.0004027800000000 ] - [ 0.0001071500000000, -0.0004807300000000, 0.0004973400000000 ]- atom: 17 displacement: [ 0.0099997439015081, 0.0000000000000000, 0.0000715674804079 ] forces: - [ 0.0082239000000000, 0.0008024900000000, -0.0021970100000000 ] - [ 0.0006296200000000, 0.0003735300000000, 0.0000903100000000 ] - [ 0.0031140600000000, 0.0003086600000000, 0.0042555000000000 ] - [ 0.0003439900000000, 0.0001428600000000, -0.0000349700000000 ] - [ 0.0000658800000000, 0.0001494300000000, 0.0003881600000000 ] - [ 0.0003690400000000, -0.0001904900000000, 0.0000894000000000 ] - [ -0.0000882900000000, -0.0004031200000000, 0.0000151900000000 ] - [ 0.0002078300000000, -0.0003012400000000, 0.0000303100000000 ] - [ -0.0001474700000000, 0.0000312300000000, 0.0002141400000000 ] - [ 0.0003554400000000, -0.0000105500000000, 0.0002445900000000 ] - [ -0.0000406600000000, -0.0002228200000000, -0.0001255600000000 ] - [ 0.0001628000000000, -0.0000668900000000, 0.0000766800000000 ] - [ -0.0008952500000000, -0.0001058000000000, -0.0000566600000000 ] - [ 0.0005561900000000, 0.0000635000000000, -0.0000952600000000 ] - [ 0.0003236600000000, 0.0005254700000000, -0.0002130200000000 ] - [ 0.0004243500000000, -0.0000135600000000, 0.0002667800000000 ] - [ -0.0306707500000000, -0.0102867300000000, -0.0099745900000000 ] - [ 0.0009160300000000, 0.0003063700000000, 0.0003277500000000 ] - [ -0.0011346800000000, -0.0000595100000000, -0.0000078400000000 ] - [ 0.0004038200000000, -0.0000654700000000, 0.0004216600000000 ] - [ 0.0000691700000000, 0.0004609800000000, -0.0006269100000000 ] - [ 0.0004585800000000, -0.0000674000000000, 0.0003961800000000 ] - [ -0.0026662300000000, 0.0057222000000000, -0.0004717700000000 ] - [ 0.0000185400000000, 0.0003393800000000, -0.0002988800000000 ] - [ -0.0001752400000000, -0.0012835900000000, -0.0013943100000000 ] - [ 0.0005931300000000, -0.0000157000000000, -0.0000734600000000 ] - [ -0.0002702100000000, -0.0003127400000000, -0.0002725300000000 ] - [ 0.0006693400000000, 0.0003562900000000, 0.0004734400000000 ] - [ 0.0001788300000000, -0.0001287600000000, 0.0000597100000000 ] - [ 0.0008101100000000, -0.0003003700000000, 0.0003593200000000 ] - [ -0.0003361100000000, 0.0002330200000000, -0.0002951200000000 ] - [ 0.0000882400000000, -0.0000169500000000, -0.0002836400000000 ] - [ -0.0002240000000000, 0.0000349200000000, 0.0001451500000000 ] - [ 0.0003577600000000, 0.0000506400000000, 0.0003972800000000 ] - [ -0.0009190500000000, 0.0004911300000000, -0.0003880900000000 ] - [ -0.0002999400000000, 0.0002564100000000, -0.0001453900000000 ] - [ -0.0008720600000000, -0.0003123000000000, -0.0007634600000000 ] - [ -0.0000045500000000, -0.0003593000000000, -0.0002315900000000 ] - [ -0.0003371400000000, -0.0012524500000000, 0.0004295900000000 ] - [ 0.0000897900000000, 0.0001387600000000, 0.0001778000000000 ] - [ -0.0002931300000000, -0.0003614500000000, 0.0001084200000000 ] - [ 0.0006022700000000, -0.0003350600000000, 0.0004650000000000 ] - [ 0.0057377300000000, 0.0007859300000000, -0.0017882600000000 ] - [ 0.0004939200000000, -0.0002115000000000, -0.0000407800000000 ] - [ -0.0001352700000000, -0.0001787100000000, -0.0008852200000000 ] - [ 0.0002225000000000, -0.0000316600000000, -0.0001026900000000 ] - [ -0.0030059100000000, -0.0013783100000000, 0.0018997800000000 ] - [ -0.0002550300000000, -0.0002257500000000, -0.0001345500000000 ] - [ 0.0003768800000000, 0.0003563300000000, 0.0001053500000000 ] - [ 0.0002244900000000, -0.0003891500000000, -0.0001304700000000 ] - [ -0.0005224600000000, -0.0001478000000000, 0.0000541100000000 ] - [ -0.0000066100000000, -0.0000062500000000, 0.0003463700000000 ] - [ 0.0000698400000000, 0.0001481700000000, 0.0000322100000000 ] - [ 0.0001297500000000, 0.0001677400000000, 0.0000077800000000 ] - [ -0.0002242800000000, 0.0001796500000000, -0.0002109700000000 ] - [ 0.0000106300000000, 0.0000346700000000, -0.0001313000000000 ] - [ -0.0000022700000000, 0.0004112400000000, -0.0000199300000000 ] - [ 0.0000467900000000, 0.0003654300000000, 0.0001122700000000 ] - [ 0.0000164700000000, 0.0002099700000000, -0.0000889000000000 ] - [ 0.0000479000000000, -0.0000461900000000, 0.0002306500000000 ] - [ 0.0001275200000000, -0.0002234700000000, 0.0002079500000000 ] - [ 0.0001867300000000, -0.0000040600000000, 0.0002954200000000 ] - [ 0.0011377900000000, -0.0007602300000000, 0.0011408000000000 ] - [ 0.0004426200000000, -0.0002330200000000, -0.0001875100000000 ] - [ 0.0016874000000000, -0.0023554600000000, 0.0004420800000000 ] - [ 0.0009745600000000, -0.0003324900000000, 0.0000272500000000 ] - [ 0.0003914900000000, -0.0003072800000000, -0.0005718400000000 ] - [ 0.0006585900000000, 0.0006866700000000, 0.0002658900000000 ] - [ 0.0000766000000000, 0.0069029200000000, 0.0007046500000000 ] - [ 0.0008052600000000, -0.0006962900000000, 0.0002796400000000 ] - [ -0.0001821700000000, 0.0007162800000000, -0.0000874500000000 ] - [ 0.0006526400000000, 0.0006642300000000, 0.0003821100000000 ] - [ 0.0003728700000000, 0.0006126300000000, -0.0002353000000000 ] - [ 0.0005385500000000, -0.0008320400000000, 0.0001329000000000 ] - [ -0.0000760200000000, 0.0025035000000000, 0.0021650000000000 ] - [ 0.0002256000000000, 0.0005277500000000, -0.0000484800000000 ] - [ 0.0002671100000000, -0.0014119500000000, -0.0006131500000000 ] - [ 0.0001227500000000, 0.0001397000000000, 0.0004415200000000 ] - [ 0.0000330100000000, 0.0003520200000000, 0.0003341500000000 ] - [ -0.0001666200000000, 0.0005087300000000, 0.0001608600000000 ] - [ -0.0002233500000000, 0.0011494400000000, 0.0000622900000000 ] - [ -0.0003742700000000, 0.0001596200000000, -0.0003917400000000 ] - [ -0.0004030300000000, -0.0004873300000000, -0.0005069500000000 ] - [ -0.0009671500000000, 0.0004672200000000, -0.0003335200000000 ] - [ -0.0001612100000000, 0.0006965500000000, -0.0002592600000000 ] - [ -0.0006192700000000, -0.0001110200000000, 0.0003537000000000 ] - [ 0.0004080100000000, -0.0000535500000000, -0.0005712300000000 ] - [ -0.0002863500000000, -0.0003337600000000, -0.0004893600000000 ] - [ 0.0078282900000000, -0.0038537000000000, 0.0017698800000000 ] - [ -0.0000721000000000, -0.0001604100000000, -0.0000377400000000 ] - [ -0.0000995200000000, -0.0004209100000000, -0.0001916500000000 ] - [ -0.0006969200000000, -0.0000874800000000, -0.0005497500000000 ] - [ -0.0008240900000000, 0.0006601300000000, 0.0015782000000000 ] - [ -0.0008099700000000, -0.0002134200000000, -0.0000652100000000 ] - [ 0.0039094600000000, 0.0035283000000000, 0.0027144400000000 ] - [ -0.0006759100000000, 0.0001740100000000, 0.0004087300000000 ] - [ 0.0010093800000000, 0.0005679800000000, 0.0004491800000000 ] - [ 0.0000532700000000, -0.0000183100000000, -0.0001596300000000 ] - [ 0.0017747900000000, -0.0009352200000000, 0.0005426600000000 ] - [ -0.0000551500000000, 0.0001009000000000, 0.0001533900000000 ] - [ 0.0003841600000000, 0.0000351700000000, -0.0000817200000000 ] - [ -0.0004768500000000, 0.0001402000000000, -0.0003676600000000 ] - [ 0.0000818700000000, -0.0003359000000000, 0.0007244300000000 ] - [ -0.0005713400000000, -0.0001536600000000, 0.0003044100000000 ] - [ 0.0011183500000000, 0.0000181300000000, 0.0006711300000000 ] - [ -0.0000071400000000, -0.0000587800000000, 0.0000676100000000 ] - [ 0.0035091500000000, 0.0006682600000000, 0.0015620300000000 ] - [ -0.0003850500000000, 0.0002188200000000, 0.0001607500000000 ] - [ 0.0047695100000000, 0.0018590400000000, -0.0001584200000000 ] - [ -0.0006427200000000, -0.0000640700000000, -0.0003492800000000 ] - [ -0.0009043400000000, -0.0017389600000000, 0.0018525100000000 ] - [ -0.0010355000000000, 0.0000169200000000, -0.0005307300000000 ] - [ 0.0002365000000000, -0.0006275800000000, -0.0004280700000000 ] - [ -0.0002362400000000, 0.0002952800000000, -0.0004983600000000 ] - [ 0.0001413900000000, -0.0008009600000000, 0.0006743300000000 ] - [ -0.0002756000000000, -0.0000371700000000, -0.0000368300000000 ] - [ 0.0007729300000000, -0.0011302900000000, -0.0006597900000000 ] - [ -0.0009061300000000, 0.0001149300000000, -0.0004371500000000 ] - [ -0.0002565200000000, 0.0001913400000000, 0.0002899100000000 ] - [ -0.0009967300000000, -0.0005522900000000, -0.0002808500000000 ] - [ 0.0007111900000000, -0.0002912800000000, -0.0013469000000000 ] - [ -0.0001298000000000, -0.0001322000000000, -0.0006342800000000 ] - [ -0.0012400200000000, 0.0012763100000000, -0.0001872100000000 ] - [ -0.0007971000000000, -0.0008341300000000, -0.0005466300000000 ] - [ -0.0005511200000000, -0.0005177900000000, 0.0004090000000000 ] - [ -0.0006377600000000, 0.0008089100000000, -0.0000391700000000 ] - [ -0.0003004100000000, 0.0007445700000000, -0.0004679300000000 ] - [ -0.0008070700000000, 0.0000738500000000, -0.0001356200000000 ] - [ -0.0003807300000000, 0.0006761900000000, 0.0006091000000000 ] - [ -0.0007502700000000, -0.0002894300000000, -0.0002150700000000 ] - [ 0.0001681100000000, 0.0000111900000000, -0.0004206000000000 ] - [ 0.0001346500000000, -0.0000801200000000, -0.0004284300000000 ] - [ -0.0001335100000000, -0.0005538500000000, -0.0001740900000000 ] - [ -0.0001260600000000, 0.0000090700000000, 0.0002927800000000 ] - [ -0.0001340300000000, -0.0002028900000000, 0.0000708400000000 ] - [ -0.0002196500000000, -0.0004028000000000, 0.0002852900000000 ]- atom: 17 displacement: [ -0.0099997439015081, 0.0000000000000000, -0.0000715674804079 ] forces: - [ -0.0080161900000000, -0.0000933800000000, 0.0021226000000000 ] - [ -0.0005490100000000, 0.0003284100000000, -0.0001269800000000 ] - [ -0.0031185200000000, -0.0000347900000000, -0.0042564700000000 ] - [ -0.0003578700000000, 0.0001304500000000, -0.0000020800000000 ] - [ 0.0002614300000000, -0.0004407900000000, -0.0002458000000000 ] - [ -0.0000387400000000, -0.0000990300000000, 0.0000570800000000 ] - [ 0.0001727100000000, -0.0002997500000000, -0.0000518800000000 ] - [ -0.0001231000000000, -0.0004014700000000, -0.0000660500000000 ] - [ 0.0004191200000000, -0.0001138900000000, 0.0001972600000000 ] - [ -0.0000839200000000, -0.0000693000000000, 0.0001677900000000 ] - [ 0.0000278700000000, -0.0000516900000000, 0.0000876100000000 ] - [ -0.0001748200000000, -0.0002072000000000, -0.0001150100000000 ] - [ 0.0013991500000000, 0.0002318200000000, -0.0003050200000000 ] - [ -0.0000539900000000, 0.0000567800000000, -0.0002595200000000 ] - [ 0.0000035100000000, -0.0002345900000000, 0.0003590700000000 ] - [ -0.0000942300000000, 0.0003051000000000, -0.0001223000000000 ] - [ 0.0315776700000000, 0.0110062200000000, 0.0105637900000000 ] - [ 0.0002088000000000, 0.0002442600000000, 0.0001585700000000 ] - [ 0.0013956800000000, 0.0000113400000000, 0.0006215000000000 ] - [ -0.0001471200000000, 0.0000166200000000, 0.0002107400000000 ] - [ 0.0002007100000000, -0.0003766200000000, 0.0010356600000000 ] - [ -0.0001878600000000, 0.0001481800000000, 0.0000148300000000 ] - [ 0.0020796500000000, -0.0050134900000000, -0.0002590400000000 ] - [ -0.0006544200000000, 0.0003488300000000, -0.0004365200000000 ] - [ 0.0006727900000000, 0.0011604500000000, 0.0010401900000000 ] - [ -0.0000914200000000, -0.0001051600000000, -0.0002817600000000 ] - [ 0.0009145500000000, 0.0009979500000000, 0.0010060600000000 ] - [ -0.0000351900000000, 0.0003325700000000, 0.0002619000000000 ] - [ 0.0009482600000000, -0.0004234800000000, 0.0004272600000000 ] - [ 0.0003147400000000, -0.0002504000000000, 0.0001266000000000 ] - [ 0.0000812000000000, -0.0002831700000000, -0.0003369800000000 ] - [ -0.0003465100000000, -0.0000321300000000, -0.0003491300000000 ] - [ 0.0004814500000000, 0.0000118400000000, 0.0004882900000000 ] - [ -0.0001009800000000, -0.0000014500000000, 0.0002347200000000 ] - [ -0.0002041300000000, 0.0000577500000000, -0.0000978000000000 ] - [ -0.0008268300000000, 0.0002946000000000, -0.0003412800000000 ] - [ 0.0002385600000000, -0.0003761100000000, 0.0000286000000000 ] - [ -0.0006313600000000, -0.0003294500000000, -0.0005042000000000 ] - [ -0.0001586200000000, 0.0013806200000000, -0.0000751300000000 ] - [ -0.0005937100000000, -0.0000178200000000, 0.0001764000000000 ] - [ 0.0009313300000000, -0.0003298900000000, 0.0006315200000000 ] - [ 0.0000314000000000, -0.0003533600000000, 0.0002697700000000 ] - [ -0.0061026700000000, -0.0008809500000000, 0.0014070000000000 ] - [ -0.0007638800000000, 0.0001301800000000, -0.0003699800000000 ] - [ -0.0001201400000000, 0.0002283500000000, 0.0002577600000000 ] - [ -0.0004800400000000, 0.0000805200000000, -0.0005296500000000 ] - [ 0.0019060100000000, 0.0008254000000000, -0.0023543300000000 ] - [ -0.0008714800000000, -0.0003247600000000, -0.0003524700000000 ] - [ -0.0007106400000000, -0.0006512000000000, -0.0002532500000000 ] - [ -0.0005556100000000, 0.0000968400000000, -0.0000147900000000 ] - [ 0.0000220400000000, 0.0000278000000000, 0.0003020300000000 ] - [ -0.0004977600000000, -0.0001136900000000, 0.0000081300000000 ] - [ -0.0000570500000000, 0.0001252500000000, 0.0000060500000000 ] - [ -0.0001193600000000, 0.0001056200000000, 0.0000299800000000 ] - [ -0.0000468300000000, -0.0001002600000000, -0.0002007800000000 ] - [ -0.0002836800000000, 0.0000447000000000, -0.0002815700000000 ] - [ -0.0000818200000000, 0.0002906900000000, 0.0000563300000000 ] - [ -0.0001331700000000, 0.0003367700000000, -0.0000769800000000 ] - [ -0.0003470800000000, 0.0000799300000000, -0.0000561100000000 ] - [ -0.0003795800000000, 0.0003349600000000, -0.0003775200000000 ] - [ -0.0001145600000000, -0.0000496600000000, -0.0001703600000000 ] - [ -0.0001760000000000, -0.0002682200000000, -0.0002575700000000 ] - [ -0.0012321100000000, 0.0000625600000000, -0.0011177200000000 ] - [ -0.0005259900000000, -0.0004674100000000, 0.0002210700000000 ] - [ -0.0012377700000000, 0.0013353600000000, -0.0007345900000000 ] - [ -0.0005187300000000, -0.0006860900000000, -0.0003219400000000 ] - [ 0.0000679000000000, 0.0013221400000000, 0.0002727400000000 ] - [ -0.0001991400000000, 0.0003281000000000, -0.0005629800000000 ] - [ 0.0002806200000000, -0.0082157600000000, -0.0003812900000000 ] - [ -0.0004017000000000, -0.0006155100000000, 0.0000458800000000 ] - [ 0.0005867800000000, 0.0005952800000000, 0.0004125900000000 ] - [ -0.0002473900000000, 0.0006482200000000, -0.0000573100000000 ] - [ -0.0007770100000000, -0.0019297900000000, -0.0000852600000000 ] - [ -0.0009464900000000, -0.0004807800000000, -0.0004590600000000 ] - [ -0.0003290500000000, -0.0012024900000000, -0.0025061000000000 ] - [ -0.0006325300000000, 0.0007837300000000, -0.0002785000000000 ] - [ -0.0007268200000000, 0.0004038600000000, 0.0009153500000000 ] - [ -0.0005886800000000, -0.0011499400000000, -0.0001464100000000 ] - [ -0.0004905100000000, 0.0006653500000000, -0.0000402000000000 ] - [ -0.0002952200000000, 0.0005085100000000, 0.0001316600000000 ] - [ 0.0003292800000000, -0.0004805100000000, -0.0005603900000000 ] - [ 0.0004768000000000, 0.0005152500000000, -0.0001006300000000 ] - [ -0.0001246300000000, 0.0009099300000000, -0.0001315100000000 ] - [ 0.0004291900000000, -0.0000499100000000, -0.0003082800000000 ] - [ -0.0002668100000000, -0.0006550100000000, 0.0009172200000000 ] - [ 0.0001893600000000, 0.0001587500000000, 0.0002974000000000 ] - [ -0.0003026100000000, -0.0006209500000000, 0.0000811700000000 ] - [ 0.0003877300000000, -0.0003397300000000, -0.0000019200000000 ] - [ -0.0066065800000000, 0.0032550900000000, -0.0015513800000000 ] - [ 0.0010860300000000, -0.0001749900000000, 0.0001740000000000 ] - [ -0.0004386600000000, 0.0000011000000000, -0.0004478700000000 ] - [ 0.0001558300000000, -0.0003333200000000, -0.0000905200000000 ] - [ 0.0003905100000000, -0.0007028200000000, -0.0009153500000000 ] - [ 0.0003810900000000, 0.0001688800000000, 0.0007203600000000 ] - [ -0.0043758100000000, -0.0031468100000000, -0.0017649500000000 ] - [ 0.0002270000000000, 0.0001741200000000, 0.0005145800000000 ] - [ 0.0000026200000000, -0.0002290200000000, -0.0003109900000000 ] - [ 0.0009592600000000, 0.0003554700000000, 0.0002968100000000 ] - [ -0.0008614600000000, 0.0009638900000000, 0.0000368900000000 ] - [ 0.0009753500000000, -0.0000864500000000, 0.0004302000000000 ] - [ -0.0006019600000000, 0.0002412200000000, -0.0003414800000000 ] - [ 0.0002610800000000, 0.0001331900000000, -0.0000562600000000 ] - [ -0.0005317600000000, -0.0000095900000000, 0.0001977900000000 ] - [ 0.0001216600000000, -0.0001943500000000, 0.0006203100000000 ] - [ -0.0002023200000000, -0.0000319800000000, -0.0000868700000000 ] - [ 0.0009267700000000, 0.0000433300000000, 0.0005161200000000 ] - [ -0.0034129900000000, -0.0004816900000000, -0.0012763200000000 ] - [ 0.0006018900000000, 0.0000561700000000, 0.0002654600000000 ] - [ -0.0048898800000000, -0.0019903500000000, -0.0003518600000000 ] - [ 0.0004284600000000, -0.0002104500000000, -0.0000746200000000 ] - [ -0.0000268400000000, 0.0017586800000000, -0.0024506100000000 ] - [ 0.0001184700000000, -0.0000008300000000, -0.0000521900000000 ] - [ 0.0002102400000000, 0.0009794000000000, -0.0004965100000000 ] - [ 0.0006882600000000, 0.0000534000000000, -0.0004249700000000 ] - [ 0.0000733300000000, 0.0005288700000000, -0.0002517600000000 ] - [ 0.0004939900000000, -0.0002359600000000, 0.0004616600000000 ] - [ -0.0016975300000000, 0.0011205400000000, 0.0000767300000000 ] - [ -0.0000110300000000, -0.0001297000000000, -0.0001454600000000 ] - [ -0.0007613400000000, -0.0005319300000000, -0.0004298700000000 ] - [ -0.0000121800000000, 0.0002144700000000, 0.0001447300000000 ] - [ -0.0002650400000000, -0.0000591900000000, 0.0004254800000000 ] - [ 0.0005813400000000, -0.0002156900000000, -0.0002888900000000 ] - [ 0.0016827600000000, -0.0012434700000000, -0.0004662100000000 ] - [ 0.0012250700000000, 0.0008714000000000, -0.0001070400000000 ] - [ 0.0010943000000000, 0.0009444600000000, 0.0002285000000000 ] - [ 0.0011857400000000, -0.0003858500000000, 0.0006812900000000 ] - [ -0.0007175200000000, -0.0004103200000000, 0.0003327100000000 ] - [ -0.0002036600000000, 0.0002616100000000, 0.0000003600000000 ] - [ 0.0002802000000000, -0.0000064000000000, -0.0001199400000000 ] - [ 0.0006507900000000, 0.0009576400000000, 0.0007072200000000 ] - [ 0.0002613000000000, -0.0000583700000000, -0.0002311400000000 ] - [ 0.0002986400000000, 0.0000336900000000, -0.0002219800000000 ] - [ 0.0006720600000000, 0.0001347600000000, 0.0008152900000000 ] - [ 0.0006673800000000, -0.0004281600000000, 0.0003494500000000 ] - [ 0.0000309700000000, -0.0004708200000000, 0.0004225300000000 ] - [ 0.0001209700000000, -0.0002696800000000, 0.0002088700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003587000000000, -0.0025950700000000, -0.0001227300000000 ] - [ 0.0001271000000000, 0.0001421300000000, -0.0000293500000000 ] - [ 0.0000417600000000, -0.0022482500000000, -0.0001121200000000 ] - [ 0.0000334500000000, -0.0000285600000000, -0.0000000100000000 ] - [ 0.0005819000000000, 0.0002700400000000, 0.0007547100000000 ] - [ 0.0001076400000000, -0.0001412400000000, 0.0000614800000000 ] - [ 0.0000284700000000, 0.0000627700000000, -0.0001037300000000 ] - [ 0.0001015700000000, -0.0002141000000000, -0.0000040500000000 ] - [ 0.0002768100000000, 0.0010045400000000, 0.0003886600000000 ] - [ 0.0001617200000000, 0.0000594900000000, 0.0002192700000000 ] - [ -0.0001057500000000, 0.0002260600000000, 0.0000243900000000 ] - [ 0.0000632900000000, 0.0000437500000000, 0.0000135000000000 ] - [ -0.0000124400000000, 0.0006977200000000, -0.0021158000000000 ] - [ 0.0002994400000000, 0.0000554700000000, -0.0001595400000000 ] - [ 0.0007755000000000, 0.0005430900000000, -0.0001874700000000 ] - [ 0.0000501100000000, 0.0001888700000000, -0.0000049900000000 ] - [ -0.0102906900000000, -0.0510118900000000, -0.0097298500000000 ] - [ 0.0005941700000000, 0.0002011200000000, 0.0002575800000000 ] - [ 0.0001107000000000, -0.0014212600000000, 0.0014877400000000 ] - [ 0.0001650000000000, -0.0001099000000000, 0.0003395000000000 ] - [ 0.0005215600000000, -0.0004005000000000, -0.0000561900000000 ] - [ 0.0001722200000000, -0.0000618400000000, 0.0002132100000000 ] - [ 0.0054560200000000, 0.0170505900000000, 0.0003922300000000 ] - [ -0.0002972700000000, 0.0003381900000000, -0.0003436900000000 ] - [ -0.0014745600000000, 0.0008262400000000, 0.0015419200000000 ] - [ 0.0003388700000000, -0.0000650500000000, -0.0001588200000000 ] - [ -0.0006140800000000, 0.0016774200000000, 0.0017469300000000 ] - [ 0.0004039700000000, 0.0003536000000000, 0.0003987400000000 ] - [ 0.0004153500000000, 0.0002274400000000, 0.0002179900000000 ] - [ 0.0005879900000000, -0.0002064400000000, 0.0002479500000000 ] - [ 0.0000438900000000, 0.0010903900000000, -0.0001273600000000 ] - [ -0.0001146000000000, 0.0000791900000000, -0.0002876200000000 ] - [ 0.0001551100000000, 0.0010554100000000, 0.0003662300000000 ] - [ 0.0001619900000000, 0.0001100000000000, 0.0003352200000000 ] - [ -0.0007800200000000, 0.0010855900000000, -0.0003279700000000 ] - [ -0.0005435300000000, 0.0003854800000000, -0.0002321700000000 ] - [ -0.0003884900000000, -0.0004510000000000, -0.0003572700000000 ] - [ -0.0002800000000000, -0.0003642200000000, -0.0003700800000000 ] - [ -0.0018791800000000, 0.0013892900000000, -0.0005126600000000 ] - [ -0.0001173500000000, 0.0000924100000000, 0.0001781000000000 ] - [ 0.0002601100000000, 0.0004620600000000, -0.0005591300000000 ] - [ 0.0003732100000000, -0.0003322800000000, 0.0003828700000000 ] - [ 0.0008594200000000, -0.0021553700000000, -0.0003275900000000 ] - [ -0.0001155700000000, -0.0002938300000000, -0.0001483100000000 ] - [ -0.0002550700000000, -0.0005453800000000, -0.0003022100000000 ] - [ -0.0000737100000000, -0.0001254900000000, -0.0002928500000000 ] - [ -0.0016402300000000, -0.0028950200000000, -0.0035746300000000 ] - [ -0.0005132400000000, -0.0003415500000000, -0.0002274900000000 ] - [ 0.0004511200000000, -0.0000098000000000, 0.0000428600000000 ] - [ -0.0004834700000000, -0.0001831000000000, 0.0000445800000000 ] - [ -0.0004928900000000, 0.0000102800000000, 0.0000963200000000 ] - [ -0.0001403400000000, -0.0000239900000000, 0.0002484000000000 ] - [ -0.0000154600000000, 0.0005235600000000, 0.0000263000000000 ] - [ 0.0000555000000000, 0.0005404800000000, 0.0000146300000000 ] - [ -0.0000509800000000, 0.0004353000000000, -0.0001005200000000 ] - [ -0.0001289500000000, 0.0001412900000000, -0.0002332500000000 ] - [ -0.0000095200000000, 0.0006355600000000, -0.0000000300000000 ] - [ 0.0000096600000000, 0.0007043200000000, 0.0000301500000000 ] - [ 0.0000224300000000, 0.0001252600000000, -0.0000252700000000 ] - [ -0.0003279400000000, 0.0000395200000000, -0.0003583000000000 ] - [ -0.0000835500000000, -0.0004306300000000, -0.0000006100000000 ] - [ 0.0001414100000000, -0.0003373200000000, 0.0001345000000000 ] - [ -0.0004104800000000, -0.0010965900000000, -0.0002375300000000 ] - [ 0.0001134700000000, -0.0005605900000000, -0.0000004800000000 ] - [ -0.0022885500000000, 0.0021403000000000, -0.0009439900000000 ] - [ 0.0006729000000000, -0.0004026800000000, -0.0000704700000000 ] - [ -0.0000607500000000, 0.0001678800000000, -0.0001105400000000 ] - [ 0.0006804900000000, 0.0003778200000000, 0.0000845700000000 ] - [ 0.0082435300000000, 0.0143714500000000, 0.0018905000000000 ] - [ 0.0000973900000000, -0.0007077400000000, 0.0001402600000000 ] - [ 0.0003889200000000, 0.0010900500000000, 0.0002669900000000 ] - [ 0.0001482900000000, 0.0007311300000000, 0.0001404300000000 ] - [ 0.0008018500000000, -0.0000114600000000, -0.0004650800000000 ] - [ -0.0006812900000000, -0.0004976900000000, -0.0003263600000000 ] - [ 0.0006702800000000, 0.0010865600000000, 0.0021654700000000 ] - [ -0.0002925600000000, 0.0005689400000000, -0.0001821900000000 ] - [ -0.0006578600000000, -0.0005283900000000, 0.0004230800000000 ] - [ 0.0010045300000000, -0.0006803000000000, 0.0005292700000000 ] - [ -0.0006325000000000, 0.0009327700000000, -0.0000692700000000 ] - [ 0.0001461800000000, 0.0006704600000000, 0.0002706200000000 ] - [ 0.0008040100000000, -0.0011298200000000, -0.0005618600000000 ] - [ -0.0001825400000000, 0.0001329900000000, -0.0003208700000000 ] - [ -0.0020010800000000, -0.0010006900000000, -0.0009561800000000 ] - [ -0.0000249100000000, 0.0001042800000000, -0.0003195100000000 ] - [ 0.0002656300000000, -0.0014153500000000, 0.0010982900000000 ] - [ -0.0003829400000000, -0.0001354400000000, 0.0003439400000000 ] - [ 0.0000026000000000, 0.0005309800000000, -0.0001446600000000 ] - [ -0.0000604800000000, -0.0001374300000000, -0.0003875900000000 ] - [ -0.0011290100000000, 0.0055592500000000, -0.0003263600000000 ] - [ 0.0003359200000000, -0.0000477600000000, 0.0000179800000000 ] - [ -0.0006035500000000, -0.0004112000000000, -0.0004241300000000 ] - [ -0.0000712300000000, -0.0002179200000000, -0.0002447600000000 ] - [ 0.0000903000000000, 0.0007969200000000, 0.0002036200000000 ] - [ -0.0005155500000000, 0.0001926000000000, 0.0002516700000000 ] - [ 0.0038748400000000, 0.0142935900000000, 0.0079087400000000 ] - [ -0.0002274500000000, 0.0002717000000000, 0.0004391900000000 ] - [ 0.0009122400000000, 0.0000886800000000, 0.0001551100000000 ] - [ 0.0003237100000000, 0.0000702900000000, 0.0000010700000000 ] - [ 0.0004597900000000, -0.0034194400000000, 0.0006291400000000 ] - [ 0.0004127300000000, -0.0000555100000000, 0.0002799700000000 ] - [ -0.0001283300000000, -0.0006701200000000, -0.0004791700000000 ] - [ -0.0001265000000000, 0.0000319200000000, -0.0002086300000000 ] - [ -0.0003643300000000, -0.0009408200000000, 0.0005754600000000 ] - [ -0.0002172600000000, -0.0002894600000000, 0.0004579400000000 ] - [ 0.0005458200000000, -0.0001848400000000, 0.0001386900000000 ] - [ 0.0003910600000000, 0.0000245500000000, 0.0002554600000000 ] - [ -0.0003317900000000, 0.0031023900000000, -0.0001010500000000 ] - [ 0.0001103900000000, 0.0002872400000000, 0.0002102400000000 ] - [ 0.0002620200000000, 0.0046446500000000, 0.0010389900000000 ] - [ -0.0000897500000000, -0.0000500600000000, -0.0001890800000000 ] - [ -0.0022567400000000, 0.0001262700000000, 0.0014655300000000 ] - [ -0.0003547000000000, 0.0001559100000000, -0.0002570000000000 ] - [ -0.0011644100000000, -0.0011960800000000, 0.0000866900000000 ] - [ 0.0004008100000000, -0.0000276700000000, -0.0005027000000000 ] - [ -0.0000664800000000, -0.0007961600000000, 0.0005371600000000 ] - [ 0.0002122900000000, -0.0003047100000000, 0.0003324800000000 ] - [ -0.0008135500000000, -0.0011501500000000, -0.0019259500000000 ] - [ -0.0004957800000000, -0.0000276900000000, -0.0003080800000000 ] - [ 0.0001497100000000, -0.0005949500000000, -0.0001298000000000 ] - [ -0.0009447400000000, -0.0004711600000000, -0.0002071000000000 ] - [ 0.0004597000000000, 0.0009070700000000, -0.0011776800000000 ] - [ 0.0002275700000000, -0.0000168500000000, -0.0004703900000000 ] - [ 0.0010789700000000, 0.0004998100000000, -0.0003113100000000 ] - [ -0.0003669800000000, 0.0003649400000000, -0.0003250000000000 ] - [ -0.0004312200000000, 0.0002184600000000, 0.0002098500000000 ] - [ 0.0015656900000000, 0.0001077200000000, 0.0007750800000000 ] - [ 0.0002801700000000, 0.0000371700000000, 0.0006022400000000 ] - [ -0.0006786700000000, 0.0002208300000000, -0.0001234800000000 ] - [ 0.0000953500000000, 0.0006637000000000, 0.0000941100000000 ] - [ -0.0005133300000000, 0.0007064400000000, -0.0000876800000000 ] - [ 0.0002681800000000, -0.0004816700000000, -0.0001742500000000 ] - [ 0.0000318500000000, -0.0003433100000000, -0.0003844100000000 ] - [ -0.0003594500000000, -0.0003495500000000, -0.0002207400000000 ] - [ 0.0004151700000000, -0.0001684800000000, 0.0003413600000000 ] - [ 0.0001396800000000, -0.0009826200000000, 0.0004091400000000 ] - [ -0.0002356300000000, -0.0006562700000000, 0.0001926800000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003085900000000, 0.0032931000000000, 0.0000911700000000 ] - [ -0.0000396700000000, 0.0005595900000000, -0.0000062600000000 ] - [ -0.0000727800000000, 0.0025200400000000, 0.0000578600000000 ] - [ -0.0000446000000000, 0.0003017300000000, -0.0000379400000000 ] - [ -0.0002475900000000, -0.0005582900000000, -0.0006044300000000 ] - [ 0.0002229500000000, -0.0001491100000000, 0.0000845000000000 ] - [ 0.0000569300000000, -0.0007652400000000, 0.0000690200000000 ] - [ -0.0000166900000000, -0.0004875700000000, -0.0000317100000000 ] - [ -0.0000029000000000, -0.0010827500000000, 0.0000264500000000 ] - [ 0.0001105100000000, -0.0001391000000000, 0.0001930000000000 ] - [ 0.0000949500000000, -0.0004998000000000, -0.0000628100000000 ] - [ -0.0000754400000000, -0.0003160100000000, -0.0000517600000000 ] - [ 0.0005153100000000, -0.0005761100000000, 0.0017716600000000 ] - [ 0.0002041900000000, 0.0000650400000000, -0.0001949100000000 ] - [ -0.0004418300000000, -0.0002525100000000, 0.0003327300000000 ] - [ 0.0002801600000000, 0.0001002000000000, 0.0001509900000000 ] - [ 0.0108688900000000, 0.0514897200000000, 0.0098341200000000 ] - [ 0.0005321800000000, 0.0003497200000000, 0.0002291000000000 ] - [ 0.0001469800000000, 0.0013653800000000, -0.0008673300000000 ] - [ 0.0000928800000000, 0.0000605100000000, 0.0002934700000000 ] - [ -0.0002513800000000, 0.0004786000000000, 0.0004697300000000 ] - [ 0.0001009300000000, 0.0001409400000000, 0.0001995700000000 ] - [ -0.0062460900000000, -0.0168212700000000, -0.0011570700000000 ] - [ -0.0003369500000000, 0.0003503700000000, -0.0003913900000000 ] - [ 0.0019875900000000, -0.0009447000000000, -0.0019082100000000 ] - [ 0.0001650000000000, -0.0000548600000000, -0.0001959200000000 ] - [ 0.0012424200000000, -0.0009838700000000, -0.0009983500000000 ] - [ 0.0002315000000000, 0.0003347400000000, 0.0003367100000000 ] - [ 0.0007096000000000, -0.0007774600000000, 0.0002678700000000 ] - [ 0.0005380400000000, -0.0003442000000000, 0.0002385600000000 ] - [ -0.0003043600000000, -0.0011393900000000, -0.0005080400000000 ] - [ -0.0001420400000000, -0.0001279400000000, -0.0003448300000000 ] - [ 0.0001039800000000, -0.0010066300000000, 0.0002641800000000 ] - [ 0.0000956500000000, -0.0000605000000000, 0.0002972500000000 ] - [ -0.0003477400000000, -0.0005335900000000, -0.0001565700000000 ] - [ -0.0005815000000000, 0.0001654800000000, -0.0002539500000000 ] - [ -0.0002478800000000, -0.0002359200000000, -0.0003793700000000 ] - [ -0.0003541900000000, -0.0003241500000000, -0.0003648800000000 ] - [ 0.0013592200000000, -0.0012649400000000, 0.0008607000000000 ] - [ -0.0003851700000000, 0.0000276200000000, 0.0001767500000000 ] - [ 0.0003761100000000, -0.0011488400000000, 0.0012859700000000 ] - [ 0.0002619300000000, -0.0003563400000000, 0.0003525700000000 ] - [ -0.0010959300000000, 0.0020840200000000, -0.0000943900000000 ] - [ -0.0001567000000000, 0.0002141800000000, -0.0002638800000000 ] - [ -0.0000015500000000, 0.0005925500000000, -0.0003319700000000 ] - [ -0.0001832000000000, 0.0001743400000000, -0.0003395900000000 ] - [ 0.0005157500000000, 0.0023072100000000, 0.0031232800000000 ] - [ -0.0006119200000000, -0.0002091500000000, -0.0002588300000000 ] - [ -0.0007809900000000, -0.0002758200000000, -0.0001909400000000 ] - [ 0.0001537400000000, -0.0001063400000000, -0.0001905000000000 ] - [ -0.0000113800000000, -0.0001313300000000, 0.0002589900000000 ] - [ -0.0003622800000000, -0.0000963700000000, 0.0001068100000000 ] - [ 0.0000255000000000, -0.0002493800000000, 0.0000115500000000 ] - [ -0.0000420300000000, -0.0002671100000000, 0.0000234300000000 ] - [ -0.0002221000000000, -0.0003545800000000, -0.0003124100000000 ] - [ -0.0001426200000000, -0.0000612900000000, -0.0001785800000000 ] - [ -0.0000763400000000, 0.0000672100000000, 0.0000360700000000 ] - [ -0.0000934400000000, -0.0000019400000000, 0.0000064100000000 ] - [ -0.0003532100000000, 0.0001657700000000, -0.0001201700000000 ] - [ -0.0000019800000000, 0.0002510600000000, 0.0002128400000000 ] - [ 0.0000963000000000, 0.0001555800000000, 0.0000404100000000 ] - [ -0.0001293200000000, 0.0000637500000000, -0.0000965100000000 ] - [ 0.0003332900000000, 0.0003877000000000, 0.0002783800000000 ] - [ -0.0001987800000000, -0.0001417000000000, 0.0000365400000000 ] - [ 0.0027610500000000, -0.0031605300000000, 0.0006549400000000 ] - [ -0.0002121200000000, -0.0006129400000000, -0.0002227400000000 ] - [ 0.0005203600000000, 0.0008506200000000, -0.0001824400000000 ] - [ -0.0002189300000000, 0.0006397000000000, -0.0003766900000000 ] - [ -0.0076703800000000, -0.0154537100000000, -0.0015363000000000 ] - [ 0.0003087800000000, -0.0006051600000000, 0.0001854500000000 ] - [ 0.0000176200000000, 0.0002190500000000, 0.0000591700000000 ] - [ 0.0002579300000000, 0.0005808800000000, 0.0001850800000000 ] - [ -0.0012100300000000, -0.0012901800000000, 0.0001459600000000 ] - [ 0.0002764200000000, -0.0008138900000000, 0.0000011800000000 ] - [ -0.0010898400000000, 0.0002480800000000, -0.0024782000000000 ] - [ -0.0001124100000000, 0.0007431300000000, -0.0001435300000000 ] - [ 0.0001977400000000, -0.0004933800000000, -0.0001313500000000 ] - [ -0.0014582800000000, -0.0003390800000000, -0.0002342300000000 ] - [ 0.0001735200000000, 0.0000817900000000, 0.0003611400000000 ] - [ -0.0006042500000000, 0.0003455400000000, 0.0000232000000000 ] - [ -0.0007066300000000, 0.0017996900000000, 0.0000654600000000 ] - [ 0.0002835400000000, 0.0005385800000000, -0.0001721200000000 ] - [ 0.0014525000000000, 0.0014215300000000, 0.0003123300000000 ] - [ -0.0005154800000000, 0.0003181400000000, -0.0003208000000000 ] - [ -0.0007001400000000, 0.0014598700000000, -0.0004470600000000 ] - [ -0.0000484200000000, 0.0001811800000000, 0.0003080800000000 ] - [ 0.0000985200000000, -0.0012057800000000, -0.0003484800000000 ] - [ 0.0001608500000000, -0.0005361700000000, -0.0001058600000000 ] - [ 0.0023755400000000, -0.0061348700000000, 0.0005380100000000 ] - [ 0.0006747300000000, -0.0002886600000000, 0.0001182200000000 ] - [ 0.0000620300000000, -0.0000090300000000, -0.0002169100000000 ] - [ -0.0004692100000000, -0.0002015900000000, -0.0003960000000000 ] - [ -0.0005209300000000, -0.0008469700000000, 0.0004465600000000 ] - [ 0.0000810700000000, -0.0002402400000000, 0.0003986100000000 ] - [ -0.0041129200000000, -0.0134934200000000, -0.0065591000000000 ] - [ -0.0002232100000000, 0.0000770800000000, 0.0004843300000000 ] - [ 0.0000997400000000, 0.0002468700000000, -0.0000186400000000 ] - [ 0.0006862700000000, 0.0002641600000000, 0.0001344200000000 ] - [ 0.0004499400000000, 0.0034054100000000, -0.0000428500000000 ] - [ 0.0005050000000000, 0.0000711300000000, 0.0003029000000000 ] - [ -0.0000890600000000, 0.0009444800000000, 0.0000511900000000 ] - [ -0.0000905400000000, 0.0002418900000000, -0.0002160800000000 ] - [ -0.0000877600000000, 0.0005941600000000, 0.0003502100000000 ] - [ -0.0002334200000000, -0.0000581300000000, 0.0004662900000000 ] - [ 0.0003738800000000, 0.0001735900000000, 0.0004428500000000 ] - [ 0.0005266400000000, -0.0000393700000000, 0.0003270800000000 ] - [ 0.0004943400000000, -0.0028854100000000, 0.0004651800000000 ] - [ 0.0001053900000000, -0.0000129400000000, 0.0002151900000000 ] - [ -0.0003209000000000, -0.0047073800000000, -0.0015481600000000 ] - [ -0.0001277000000000, -0.0002230100000000, -0.0002356700000000 ] - [ 0.0013380900000000, -0.0001322100000000, -0.0020481800000000 ] - [ -0.0005647000000000, -0.0001413300000000, -0.0003261900000000 ] - [ 0.0016278900000000, 0.0015442300000000, -0.0010165100000000 ] - [ 0.0000484700000000, 0.0003752700000000, -0.0004214100000000 ] - [ 0.0002837400000000, 0.0005175100000000, -0.0001128100000000 ] - [ 0.0000032100000000, 0.0000305400000000, 0.0000915600000000 ] - [ -0.0000947800000000, 0.0011290200000000, 0.0013551300000000 ] - [ -0.0004235400000000, 0.0000123900000000, -0.0002753600000000 ] - [ -0.0011568900000000, 0.0002594900000000, -0.0000069700000000 ] - [ -0.0000689900000000, 0.0001358500000000, 0.0000704300000000 ] - [ -0.0000069000000000, -0.0012599500000000, 0.0002460000000000 ] - [ 0.0002219600000000, -0.0003313800000000, -0.0004537600000000 ] - [ -0.0006491600000000, -0.0004434900000000, -0.0003391700000000 ] - [ 0.0007969100000000, -0.0003154300000000, -0.0003253900000000 ] - [ 0.0009706800000000, 0.0001968900000000, 0.0004316900000000 ] - [ -0.0010247000000000, 0.0003120300000000, -0.0001339800000000 ] - [ -0.0012917300000000, 0.0003052800000000, -0.0007358300000000 ] - [ -0.0003345300000000, 0.0001165200000000, -0.0000132300000000 ] - [ -0.0001970600000000, 0.0000119200000000, 0.0004001100000000 ] - [ 0.0004111900000000, -0.0000317000000000, 0.0005796100000000 ] - [ 0.0001628300000000, 0.0004349700000000, -0.0004765100000000 ] - [ 0.0003983700000000, 0.0002971500000000, -0.0002676900000000 ] - [ 0.0008976500000000, -0.0000783900000000, 0.0008556200000000 ] - [ 0.0001244800000000, -0.0002535900000000, 0.0002990200000000 ] - [ -0.0002382400000000, 0.0003094200000000, 0.0000878700000000 ] - [ 0.0001335200000000, -0.0000158100000000, 0.0003009600000000 ]- atom: 17 displacement: [ -0.0030577532044204, 0.0000000000000000, 0.0095210369887348 ] forces: - [ -0.0042273300000000, 0.0000812500000000, -0.0010928300000000 ] - [ -0.0000217300000000, 0.0003346900000000, -0.0001585900000000 ] - [ 0.0033657800000000, 0.0001821900000000, 0.0010306300000000 ] - [ -0.0001069800000000, 0.0001400800000000, 0.0000709500000000 ] - [ 0.0004428700000000, 0.0002461700000000, 0.0003676500000000 ] - [ 0.0001463600000000, -0.0001421900000000, 0.0002017400000000 ] - [ 0.0000834700000000, -0.0004261000000000, 0.0000701500000000 ] - [ 0.0000621800000000, -0.0003379500000000, 0.0000467900000000 ] - [ 0.0002215200000000, 0.0000404800000000, 0.0001128200000000 ] - [ 0.0001158800000000, -0.0000351300000000, 0.0002272200000000 ] - [ -0.0000851500000000, -0.0000811700000000, 0.0000413700000000 ] - [ 0.0000554300000000, -0.0001027900000000, -0.0000529600000000 ] - [ 0.0007584400000000, -0.0015196700000000, 0.0008986100000000 ] - [ 0.0002563700000000, 0.0000661600000000, -0.0001245900000000 ] - [ -0.0000943000000000, -0.0001230400000000, 0.0001779200000000 ] - [ 0.0002220100000000, 0.0001561900000000, -0.0000599200000000 ] - [ 0.0004192700000000, -0.0060514000000000, -0.0261933500000000 ] - [ 0.0005353500000000, 0.0002794800000000, 0.0002389900000000 ] - [ -0.0000239000000000, 0.0007534300000000, 0.0045141300000000 ] - [ 0.0001586000000000, -0.0000343200000000, 0.0003584300000000 ] - [ -0.0006219000000000, -0.0003894100000000, 0.0013154400000000 ] - [ 0.0002250100000000, 0.0000195800000000, 0.0001909300000000 ] - [ 0.0005832200000000, 0.0000329600000000, -0.0038891500000000 ] - [ -0.0003317500000000, 0.0003493600000000, -0.0003747700000000 ] - [ -0.0010416900000000, 0.0017516500000000, 0.0005746100000000 ] - [ 0.0002929200000000, -0.0000569900000000, -0.0002173900000000 ] - [ -0.0001764300000000, 0.0017477200000000, 0.0010229600000000 ] - [ 0.0003317000000000, 0.0003417800000000, 0.0003647500000000 ] - [ 0.0005039400000000, -0.0002967500000000, 0.0004535600000000 ] - [ 0.0005976900000000, -0.0002721800000000, 0.0002564200000000 ] - [ -0.0000554600000000, 0.0000459600000000, -0.0004893300000000 ] - [ -0.0001366700000000, -0.0000255700000000, -0.0003106700000000 ] - [ 0.0000640700000000, 0.0000617400000000, 0.0002324500000000 ] - [ 0.0001378000000000, 0.0000301900000000, 0.0002938900000000 ] - [ -0.0005913500000000, 0.0002916400000000, -0.0002940100000000 ] - [ -0.0005503100000000, 0.0002710000000000, -0.0002397000000000 ] - [ -0.0006094800000000, -0.0002645600000000, 0.0004488600000000 ] - [ -0.0002570600000000, -0.0003522200000000, -0.0003495700000000 ] - [ -0.0000644300000000, 0.0000752900000000, -0.0005313300000000 ] - [ -0.0003018800000000, 0.0000287800000000, 0.0001835800000000 ] - [ 0.0001301300000000, -0.0011097400000000, 0.0007114700000000 ] - [ 0.0003318000000000, -0.0003430400000000, 0.0003686400000000 ] - [ -0.0031336900000000, -0.0003286600000000, -0.0012848300000000 ] - [ -0.0002410200000000, 0.0000234500000000, -0.0003682700000000 ] - [ -0.0008182900000000, 0.0001238000000000, 0.0005998200000000 ] - [ -0.0000024600000000, 0.0000077000000000, -0.0002981700000000 ] - [ 0.0021248900000000, -0.0031064000000000, 0.0082367900000000 ] - [ -0.0005534400000000, -0.0002754500000000, -0.0002127600000000 ] - [ 0.0000096600000000, -0.0000962800000000, -0.0004517200000000 ] - [ -0.0002945200000000, -0.0000211000000000, -0.0001425900000000 ] - [ -0.0004172700000000, -0.0000798800000000, 0.0005222300000000 ] - [ -0.0001898600000000, -0.0000297600000000, 0.0002106500000000 ] - [ 0.0000026700000000, 0.0001504000000000, -0.0000780300000000 ] - [ -0.0000055300000000, 0.0001267400000000, -0.0000213500000000 ] - [ -0.0001531200000000, 0.0001685100000000, -0.0000356200000000 ] - [ -0.0001103900000000, 0.0000313200000000, -0.0001732800000000 ] - [ -0.0001159100000000, 0.0003295300000000, 0.0000996400000000 ] - [ -0.0000046500000000, 0.0003475800000000, -0.0000048200000000 ] - [ -0.0003124600000000, 0.0002161300000000, 0.0002725800000000 ] - [ 0.0000221500000000, -0.0000010300000000, -0.0000072700000000 ] - [ 0.0002272400000000, -0.0001558700000000, 0.0004049100000000 ] - [ 0.0001628200000000, -0.0000344100000000, 0.0003189200000000 ] - [ 0.0007242800000000, -0.0004744800000000, -0.0001574900000000 ] - [ -0.0002757700000000, -0.0004041800000000, 0.0001727800000000 ] - [ 0.0004282300000000, -0.0006520500000000, -0.0004449200000000 ] - [ -0.0001163600000000, -0.0006828900000000, -0.0002679900000000 ] - [ -0.0000928800000000, 0.0004456800000000, 0.0011463500000000 ] - [ 0.0005510200000000, 0.0004732500000000, -0.0000137000000000 ] - [ 0.0014803400000000, -0.0010334800000000, -0.0046221200000000 ] - [ 0.0001005200000000, -0.0006813000000000, 0.0001386700000000 ] - [ 0.0002369200000000, 0.0007556500000000, 0.0005810100000000 ] - [ 0.0003577300000000, 0.0006134800000000, 0.0002206400000000 ] - [ -0.0012852200000000, -0.0022965200000000, -0.0007854700000000 ] - [ -0.0001224300000000, -0.0006618000000000, -0.0001836300000000 ] - [ 0.0009810200000000, 0.0019262800000000, 0.0011036000000000 ] - [ -0.0002228100000000, 0.0006585100000000, -0.0000393500000000 ] - [ -0.0004813000000000, -0.0003933800000000, 0.0002416900000000 ] - [ -0.0000072200000000, -0.0004634600000000, -0.0004465700000000 ] - [ 0.0002259100000000, -0.0000260100000000, 0.0002935400000000 ] - [ -0.0002436500000000, 0.0005191000000000, 0.0002707400000000 ] - [ 0.0001360700000000, 0.0003049500000000, 0.0001987400000000 ] - [ 0.0000693200000000, 0.0003659700000000, -0.0000892400000000 ] - [ -0.0005419200000000, 0.0001153900000000, 0.0004514100000000 ] - [ -0.0000837900000000, 0.0001582400000000, -0.0002953600000000 ] - [ -0.0005003400000000, 0.0001816600000000, 0.0005568400000000 ] - [ -0.0000819700000000, 0.0000671900000000, 0.0002239100000000 ] - [ -0.0003938500000000, 0.0002523100000000, -0.0016946000000000 ] - [ -0.0000878200000000, -0.0003473000000000, -0.0004194700000000 ] - [ -0.0004295700000000, 0.0002591200000000, 0.0029676200000000 ] - [ 0.0006390600000000, -0.0001727400000000, 0.0001086600000000 ] - [ -0.0002206100000000, -0.0002008800000000, -0.0006024300000000 ] - [ -0.0005823500000000, -0.0001134200000000, -0.0004301700000000 ] - [ 0.0007727700000000, -0.0003839800000000, -0.0007116000000000 ] - [ -0.0004884100000000, -0.0000436300000000, 0.0003725900000000 ] - [ 0.0020004600000000, 0.0086301200000000, 0.0097449700000000 ] - [ -0.0001725700000000, 0.0001867600000000, 0.0004332700000000 ] - [ 0.0007096500000000, 0.0002062400000000, -0.0006155300000000 ] - [ 0.0003540600000000, 0.0001094100000000, 0.0000083100000000 ] - [ 0.0000847400000000, 0.0000268200000000, 0.0014820100000000 ] - [ 0.0005039300000000, 0.0000019300000000, 0.0003065400000000 ] - [ -0.0001709800000000, -0.0000274500000000, -0.0005485100000000 ] - [ -0.0001506700000000, 0.0001472900000000, -0.0002713000000000 ] - [ -0.0000157600000000, -0.0001523500000000, 0.0001006700000000 ] - [ -0.0003002200000000, -0.0001635200000000, 0.0004890800000000 ] - [ 0.0008979300000000, -0.0003273900000000, -0.0007592100000000 ] - [ 0.0003558600000000, -0.0000199800000000, 0.0002496500000000 ] - [ 0.0001332800000000, 0.0005748100000000, 0.0034575800000000 ] - [ 0.0002075600000000, 0.0000918900000000, 0.0001666100000000 ] - [ -0.0026922600000000, -0.0022668900000000, 0.0049306200000000 ] - [ -0.0000772500000000, -0.0001347700000000, -0.0001647700000000 ] - [ 0.0020910400000000, 0.0024088100000000, -0.0014517100000000 ] - [ -0.0005029400000000, -0.0000080500000000, -0.0002601500000000 ] - [ 0.0001677900000000, 0.0006112700000000, 0.0002006600000000 ] - [ 0.0002194800000000, 0.0001809100000000, -0.0004197100000000 ] - [ 0.0005215600000000, 0.0005236500000000, -0.0002861700000000 ] - [ 0.0000284400000000, -0.0001213400000000, 0.0002150100000000 ] - [ -0.0006185500000000, -0.0011384100000000, -0.0005912000000000 ] - [ -0.0004832300000000, -0.0000073400000000, -0.0003210100000000 ] - [ -0.0002456400000000, -0.0003186900000000, -0.0000179300000000 ] - [ -0.0005646000000000, -0.0001731600000000, 0.0000795700000000 ] - [ -0.0001012400000000, -0.0010168800000000, -0.0021008500000000 ] - [ 0.0001374300000000, -0.0001286500000000, -0.0005845800000000 ] - [ 0.0006093400000000, -0.0002733700000000, 0.0001889400000000 ] - [ 0.0005754700000000, 0.0004167900000000, 0.0000895800000000 ] - [ 0.0010245900000000, 0.0005984900000000, 0.0005714100000000 ] - [ 0.0001379100000000, 0.0002601200000000, 0.0004865000000000 ] - [ -0.0014438300000000, 0.0012033900000000, -0.0004950600000000 ] - [ -0.0004999700000000, 0.0001602500000000, -0.0002023400000000 ] - [ 0.0002658800000000, 0.0002337400000000, 0.0000198800000000 ] - [ -0.0005840900000000, -0.0000605400000000, 0.0003814600000000 ] - [ 0.0001816700000000, 0.0001360800000000, -0.0006168700000000 ] - [ 0.0001713400000000, -0.0000475100000000, -0.0004335600000000 ] - [ -0.0002570500000000, -0.0004259400000000, 0.0000789400000000 ] - [ 0.0003287400000000, -0.0002209100000000, 0.0000291200000000 ] - [ -0.0002287600000000, -0.0001865500000000, 0.0004380000000000 ] - [ 0.0000157500000000, -0.0003142300000000, 0.0001637600000000 ]- atom: 17 displacement: [ 0.0030577532044204, 0.0000000000000000, -0.0095210369887348 ] forces: - [ 0.0043198200000000, 0.0006204900000000, 0.0010807000000000 ] - [ 0.0001070100000000, 0.0003673800000000, 0.0001224700000000 ] - [ -0.0033671100000000, 0.0000874700000000, -0.0010848900000000 ] - [ 0.0000942400000000, 0.0001330000000000, -0.0001096300000000 ] - [ -0.0001095800000000, -0.0005342600000000, -0.0002230100000000 ] - [ 0.0001835900000000, -0.0001475000000000, -0.0000560500000000 ] - [ 0.0000020200000000, -0.0002765400000000, -0.0001066600000000 ] - [ 0.0000223800000000, -0.0003643600000000, -0.0000825500000000 ] - [ 0.0000509600000000, -0.0001200300000000, 0.0002978900000000 ] - [ 0.0001559600000000, -0.0000447100000000, 0.0001848500000000 ] - [ 0.0000731300000000, -0.0001930600000000, -0.0000785600000000 ] - [ -0.0000674200000000, -0.0001704300000000, 0.0000151400000000 ] - [ -0.0002499300000000, 0.0016279600000000, -0.0012548000000000 ] - [ 0.0002464900000000, 0.0000540900000000, -0.0002306000000000 ] - [ 0.0004242100000000, 0.0004135200000000, -0.0000297200000000 ] - [ 0.0001087100000000, 0.0001337000000000, 0.0002059600000000 ] - [ 0.0005619600000000, 0.0061024400000000, 0.0268206600000000 ] - [ 0.0005903200000000, 0.0002712700000000, 0.0002475400000000 ] - [ 0.0002826300000000, -0.0007941900000000, -0.0038388500000000 ] - [ 0.0000983700000000, -0.0000147000000000, 0.0002740200000000 ] - [ 0.0009000700000000, 0.0004750500000000, -0.0009046300000000 ] - [ 0.0000471400000000, 0.0000602700000000, 0.0002215300000000 ] - [ -0.0011935900000000, 0.0007300200000000, 0.0031536400000000 ] - [ -0.0003033200000000, 0.0003390900000000, -0.0003602800000000 ] - [ 0.0015503800000000, -0.0018857100000000, -0.0009238000000000 ] - [ 0.0002102700000000, -0.0000633400000000, -0.0001373800000000 ] - [ 0.0008090300000000, -0.0010478600000000, -0.0002880300000000 ] - [ 0.0003029500000000, 0.0003468800000000, 0.0003704400000000 ] - [ 0.0006216100000000, -0.0002542200000000, 0.0000329600000000 ] - [ 0.0005278600000000, -0.0002784900000000, 0.0002297100000000 ] - [ -0.0002003300000000, -0.0000924100000000, -0.0001413800000000 ] - [ -0.0001206500000000, -0.0000232900000000, -0.0003214300000000 ] - [ 0.0001926500000000, -0.0000128200000000, 0.0004019500000000 ] - [ 0.0001195600000000, 0.0000190700000000, 0.0003384300000000 ] - [ -0.0005343400000000, 0.0002604900000000, -0.0001938200000000 ] - [ -0.0005757200000000, 0.0002799700000000, -0.0002468300000000 ] - [ -0.0000259400000000, -0.0004270300000000, -0.0011852600000000 ] - [ -0.0003778300000000, -0.0003364400000000, -0.0003860300000000 ] - [ -0.0004361800000000, 0.0000418000000000, 0.0008871100000000 ] - [ -0.0002014700000000, 0.0000916200000000, 0.0001715100000000 ] - [ 0.0005066000000000, 0.0004252500000000, 0.0000267800000000 ] - [ 0.0003029600000000, -0.0003455500000000, 0.0003667000000000 ] - [ 0.0028585900000000, 0.0002453100000000, 0.0008548500000000 ] - [ -0.0000316200000000, -0.0001039200000000, -0.0000433400000000 ] - [ 0.0005558200000000, -0.0000756700000000, -0.0012311800000000 ] - [ -0.0002544600000000, 0.0000411400000000, -0.0003344600000000 ] - [ -0.0033059300000000, 0.0026125200000000, -0.0088668700000000 ] - [ -0.0005719900000000, -0.0002750800000000, -0.0002736100000000 ] - [ -0.0003378400000000, -0.0001927100000000, 0.0003057000000000 ] - [ -0.0000371900000000, -0.0002695200000000, -0.0000008700000000 ] - [ -0.0000869000000000, -0.0000386900000000, -0.0001678100000000 ] - [ -0.0003130000000000, -0.0000903600000000, 0.0001437900000000 ] - [ 0.0000097400000000, 0.0001236100000000, 0.0001159800000000 ] - [ 0.0000170000000000, 0.0001467600000000, 0.0000597000000000 ] - [ -0.0001192400000000, -0.0000887300000000, -0.0003760300000000 ] - [ -0.0001614900000000, 0.0000483400000000, -0.0002393300000000 ] - [ 0.0000311400000000, 0.0003732100000000, -0.0000642500000000 ] - [ -0.0000803300000000, 0.0003551400000000, 0.0000398800000000 ] - [ -0.0000191000000000, 0.0000731600000000, -0.0004192800000000 ] - [ -0.0003519400000000, 0.0002901200000000, -0.0001413300000000 ] - [ -0.0002179500000000, -0.0001180500000000, -0.0003673600000000 ] - [ -0.0001485900000000, -0.0002380800000000, -0.0002806500000000 ] - [ -0.0008080300000000, -0.0002298700000000, 0.0001974900000000 ] - [ 0.0001912700000000, -0.0002971100000000, -0.0001357600000000 ] - [ 0.0000162500000000, -0.0003466800000000, 0.0001466300000000 ] - [ 0.0005756900000000, -0.0003341100000000, -0.0000266300000000 ] - [ 0.0005520900000000, 0.0005656100000000, -0.0014383900000000 ] - [ -0.0000923000000000, 0.0005435100000000, -0.0002794100000000 ] - [ -0.0010882300000000, -0.0003218000000000, 0.0049395300000000 ] - [ 0.0003050700000000, -0.0006310100000000, 0.0001866500000000 ] - [ 0.0001727200000000, 0.0005626300000000, -0.0002526100000000 ] - [ 0.0000476800000000, 0.0006990300000000, 0.0001044300000000 ] - [ 0.0008775200000000, 0.0009807200000000, 0.0004571000000000 ] - [ -0.0002863800000000, -0.0006495100000000, -0.0001431000000000 ] - [ -0.0014000800000000, -0.0006174300000000, -0.0014171700000000 ] - [ -0.0001813900000000, 0.0006537100000000, -0.0002858200000000 ] - [ 0.0000226200000000, -0.0006229600000000, 0.0000489600000000 ] - [ -0.0004539500000000, -0.0005515300000000, 0.0007388600000000 ] - [ -0.0006872700000000, 0.0010457700000000, 0.0000004400000000 ] - [ -0.0002134300000000, 0.0004987000000000, 0.0000240300000000 ] - [ -0.0000311400000000, 0.0003624400000000, -0.0006982900000000 ] - [ 0.0000312200000000, 0.0003070100000000, -0.0004034500000000 ] - [ 0.0000056500000000, 0.0003055300000000, -0.0010905900000000 ] - [ -0.0004565100000000, 0.0002613400000000, -0.0003445300000000 ] - [ 0.0000698000000000, -0.0001400100000000, 0.0001020400000000 ] - [ -0.0003488900000000, -0.0000203800000000, 0.0004285100000000 ] - [ 0.0004870500000000, -0.0009183900000000, 0.0011959800000000 ] - [ 0.0001902100000000, -0.0003257100000000, -0.0000732300000000 ] - [ 0.0014369300000000, -0.0005821900000000, -0.0028304800000000 ] - [ 0.0003730100000000, -0.0001635000000000, 0.0000280200000000 ] - [ -0.0003227700000000, -0.0002214400000000, -0.0000402300000000 ] - [ 0.0000430200000000, -0.0003065300000000, -0.0002106300000000 ] - [ -0.0012096500000000, 0.0003389500000000, 0.0013605700000000 ] - [ 0.0000558700000000, -0.0000032800000000, 0.0002780700000000 ] - [ -0.0023439600000000, -0.0080549000000000, -0.0087311200000000 ] - [ -0.0002772500000000, 0.0001616200000000, 0.0004904400000000 ] - [ 0.0003029500000000, 0.0001339400000000, 0.0007514800000000 ] - [ 0.0006579400000000, 0.0002267500000000, 0.0001276900000000 ] - [ 0.0008312900000000, -0.0000104800000000, -0.0008977400000000 ] - [ 0.0004150600000000, 0.0000129800000000, 0.0002767500000000 ] - [ -0.0000475900000000, 0.0002978400000000, 0.0001246800000000 ] - [ -0.0000654600000000, 0.0001260100000000, -0.0001526400000000 ] - [ -0.0004350700000000, -0.0001973600000000, 0.0008193900000000 ] - [ -0.0001501900000000, -0.0001845500000000, 0.0004348500000000 ] - [ 0.0000213200000000, 0.0003030600000000, 0.0013380600000000 ] - [ 0.0005629800000000, 0.0000051200000000, 0.0003336600000000 ] - [ 0.0000294500000000, -0.0003224600000000, -0.0030739700000000 ] - [ 0.0000083800000000, 0.0001824000000000, 0.0002578600000000 ] - [ 0.0025952600000000, 0.0021748500000000, -0.0054449900000000 ] - [ -0.0001394200000000, -0.0001386700000000, -0.0002596700000000 ] - [ -0.0030035200000000, -0.0023813700000000, 0.0008758300000000 ] - [ -0.0004148300000000, 0.0000231200000000, -0.0003225800000000 ] - [ 0.0002765400000000, -0.0002651400000000, -0.0011189800000000 ] - [ 0.0002321200000000, 0.0001669000000000, -0.0005043500000000 ] - [ -0.0003045200000000, -0.0007967100000000, 0.0007123900000000 ] - [ 0.0001886500000000, -0.0001525000000000, 0.0002103700000000 ] - [ -0.0002964000000000, 0.0011280400000000, 0.0000008300000000 ] - [ -0.0004360600000000, -0.0000073200000000, -0.0002627800000000 ] - [ -0.0007665200000000, -0.0000201000000000, -0.0001168400000000 ] - [ -0.0004461700000000, -0.0001633800000000, -0.0002148400000000 ] - [ 0.0005610200000000, 0.0006773200000000, 0.0011780200000000 ] - [ 0.0003118500000000, -0.0002194700000000, -0.0003390700000000 ] - [ -0.0001802800000000, 0.0003216600000000, -0.0008377600000000 ] - [ -0.0001429200000000, -0.0003707900000000, -0.0007414400000000 ] - [ -0.0004833800000000, -0.0001780800000000, 0.0000711300000000 ] - [ 0.0004110300000000, 0.0001578600000000, 0.0001574100000000 ] - [ 0.0004388600000000, -0.0008739800000000, 0.0003584100000000 ] - [ -0.0005136200000000, 0.0001763600000000, 0.0000652200000000 ] - [ -0.0003651700000000, 0.0004375300000000, 0.0004763700000000 ] - [ 0.0004826800000000, 0.0007324500000000, 0.0001134200000000 ] - [ 0.0002498500000000, -0.0001847400000000, -0.0000342800000000 ] - [ 0.0002587900000000, -0.0000000200000000, -0.0002176800000000 ] - [ 0.0007986000000000, 0.0000058100000000, 0.0005579600000000 ] - [ 0.0002089400000000, -0.0001968900000000, 0.0006104200000000 ] - [ 0.0001275000000000, -0.0004880600000000, 0.0000532700000000 ] - [ -0.0001166100000000, -0.0003584800000000, 0.0003284900000000 ]- atom: 19 displacement: [ 0.0099997439015081, 0.0000000000000000, 0.0000715674804079 ] forces: - [ -0.0000143400000000, 0.0004746800000000, -0.0005532900000000 ] - [ 0.0003038800000000, 0.0003841900000000, 0.0001360000000000 ] - [ 0.0066289600000000, -0.0019659900000000, -0.0046754100000000 ] - [ 0.0004317100000000, 0.0002551900000000, 0.0001386900000000 ] - [ 0.0011501000000000, 0.0028661100000000, -0.0000776800000000 ] - [ 0.0005162000000000, -0.0002348700000000, 0.0000550300000000 ] - [ -0.0001664100000000, -0.0004701000000000, -0.0000049300000000 ] - [ 0.0002301300000000, -0.0003453500000000, -0.0000008400000000 ] - [ -0.0002207200000000, 0.0000012200000000, 0.0000952900000000 ] - [ 0.0003570400000000, -0.0000365800000000, 0.0002624600000000 ] - [ -0.0001717600000000, -0.0001992800000000, -0.0000656700000000 ] - [ 0.0001516500000000, -0.0001352100000000, 0.0000474700000000 ] - [ -0.0014525200000000, -0.0014286800000000, -0.0006353300000000 ] - [ 0.0005391800000000, 0.0000660900000000, -0.0001172700000000 ] - [ -0.0001157000000000, 0.0001613500000000, -0.0000545100000000 ] - [ 0.0003577800000000, 0.0001028600000000, 0.0002212500000000 ] - [ -0.0007011400000000, 0.0002697200000000, -0.0002840800000000 ] - [ 0.0008381100000000, 0.0003115700000000, 0.0003636000000000 ] - [ -0.0328471800000000, 0.0133482300000000, 0.0028385800000000 ] - [ 0.0004358900000000, -0.0000512100000000, 0.0003667600000000 ] - [ -0.0022610400000000, 0.0004657100000000, -0.0006946000000000 ] - [ 0.0003813000000000, 0.0000004400000000, 0.0002993500000000 ] - [ -0.0009338800000000, 0.0003469100000000, -0.0003437300000000 ] - [ -0.0000589900000000, 0.0003375400000000, -0.0002865300000000 ] - [ -0.0001622600000000, -0.0000690100000000, -0.0004687800000000 ] - [ 0.0005112600000000, -0.0000578400000000, -0.0000655300000000 ] - [ -0.0004007600000000, -0.0039324500000000, 0.0026577200000000 ] - [ 0.0006536700000000, 0.0003595000000000, 0.0004155300000000 ] - [ 0.0002106900000000, -0.0003018300000000, 0.0000618300000000 ] - [ 0.0007919600000000, -0.0003085900000000, 0.0003263400000000 ] - [ -0.0002628100000000, -0.0000178900000000, -0.0003132100000000 ] - [ 0.0000160600000000, -0.0000124900000000, -0.0002532100000000 ] - [ -0.0001304700000000, -0.0000754800000000, 0.0001554100000000 ] - [ 0.0003304100000000, 0.0000378700000000, 0.0004131300000000 ] - [ -0.0007705200000000, 0.0000993000000000, -0.0002352200000000 ] - [ -0.0003457300000000, 0.0002616300000000, -0.0001819000000000 ] - [ -0.0005401200000000, 0.0011098700000000, -0.0012069400000000 ] - [ 0.0000029000000000, -0.0004036700000000, -0.0002896600000000 ] - [ -0.0004558400000000, -0.0000098800000000, 0.0003256800000000 ] - [ -0.0000529700000000, 0.0001012300000000, 0.0002548000000000 ] - [ 0.0002078400000000, -0.0004800700000000, -0.0000486900000000 ] - [ 0.0005947500000000, -0.0003084800000000, 0.0004903200000000 ] - [ 0.0003880100000000, 0.0001522400000000, 0.0009571100000000 ] - [ 0.0001671400000000, -0.0001367700000000, -0.0002722500000000 ] - [ 0.0080379200000000, 0.0011026700000000, -0.0008653800000000 ] - [ 0.0004258700000000, -0.0000994300000000, -0.0002453100000000 ] - [ -0.0005684500000000, -0.0004008000000000, -0.0009570300000000 ] - [ -0.0002113100000000, -0.0002203600000000, 0.0000026000000000 ] - [ -0.0000571100000000, -0.0000801000000000, 0.0000857100000000 ] - [ -0.0000976700000000, -0.0002182300000000, -0.0000671300000000 ] - [ 0.0003464300000000, -0.0007969300000000, -0.0001009500000000 ] - [ 0.0001266100000000, 0.0001230000000000, 0.0003101700000000 ] - [ 0.0000966700000000, 0.0000811700000000, 0.0001194900000000 ] - [ 0.0000061900000000, 0.0001577200000000, -0.0000195200000000 ] - [ -0.0001150900000000, 0.0000979900000000, -0.0002828500000000 ] - [ -0.0000303600000000, 0.0000070000000000, -0.0001387200000000 ] - [ 0.0000902800000000, 0.0002756000000000, 0.0000315000000000 ] - [ 0.0000118200000000, 0.0004342000000000, -0.0000075600000000 ] - [ 0.0002018500000000, 0.0003794400000000, -0.0000467900000000 ] - [ 0.0003399200000000, -0.0004436700000000, 0.0000078700000000 ] - [ 0.0005251900000000, -0.0002009500000000, -0.0001579000000000 ] - [ 0.0030886100000000, 0.0004212100000000, 0.0019262500000000 ] - [ 0.0000715800000000, -0.0003693700000000, 0.0000775200000000 ] - [ 0.0000127700000000, -0.0002980600000000, 0.0004078900000000 ] - [ 0.0004051600000000, -0.0011549500000000, -0.0002920400000000 ] - [ 0.0007780200000000, -0.0003973800000000, 0.0000722700000000 ] - [ 0.0006182800000000, -0.0018336600000000, 0.0018507600000000 ] - [ 0.0006344900000000, 0.0006099000000000, -0.0000881900000000 ] - [ -0.0000677400000000, -0.0002161500000000, -0.0009759600000000 ] - [ 0.0007675700000000, -0.0006306200000000, 0.0004236700000000 ] - [ -0.0025369400000000, -0.0007177200000000, -0.0008390600000000 ] - [ 0.0006918300000000, 0.0007122800000000, 0.0003149300000000 ] - [ 0.0006981800000000, 0.0005023200000000, 0.0002452800000000 ] - [ 0.0002726100000000, -0.0007697600000000, -0.0000577200000000 ] - [ 0.0000558500000000, 0.0013564400000000, -0.0008778200000000 ] - [ 0.0000219500000000, 0.0003666500000000, 0.0002542100000000 ] - [ 0.0001940800000000, -0.0010398000000000, 0.0009354400000000 ] - [ -0.0001026900000000, 0.0002863800000000, -0.0007468700000000 ] - [ 0.0001403300000000, 0.0004531700000000, 0.0001423000000000 ] - [ -0.0001077400000000, 0.0008510300000000, 0.0004001700000000 ] - [ 0.0001599000000000, 0.0006693400000000, 0.0000583900000000 ] - [ -0.0002590400000000, 0.0002857000000000, -0.0004539400000000 ] - [ 0.0001186100000000, 0.0000103700000000, 0.0003071100000000 ] - [ -0.0009751800000000, 0.0003759100000000, -0.0006836200000000 ] - [ -0.0000984100000000, 0.0004523200000000, 0.0003893200000000 ] - [ -0.0005871300000000, -0.0000348800000000, 0.0002610900000000 ] - [ 0.0104845400000000, -0.0078841300000000, 0.0051428500000000 ] - [ -0.0004007200000000, -0.0004177700000000, -0.0002959500000000 ] - [ 0.0009064500000000, 0.0008357800000000, 0.0012320600000000 ] - [ 0.0000421100000000, -0.0001616500000000, -0.0001279300000000 ] - [ 0.0011536300000000, -0.0014644800000000, -0.0008717700000000 ] - [ -0.0007663800000000, -0.0001674700000000, -0.0004345900000000 ] - [ 0.0005279000000000, 0.0001003300000000, -0.0006691100000000 ] - [ -0.0005212800000000, -0.0000557900000000, 0.0002306300000000 ] - [ 0.0051204500000000, 0.0020919000000000, -0.0032483400000000 ] - [ -0.0006921400000000, 0.0001679700000000, 0.0003385600000000 ] - [ 0.0016806600000000, 0.0012055500000000, -0.0001921200000000 ] - [ 0.0000957300000000, 0.0000712600000000, -0.0000455100000000 ] - [ 0.0011313600000000, -0.0003174700000000, 0.0005957500000000 ] - [ 0.0000127500000000, 0.0000861200000000, 0.0001103400000000 ] - [ 0.0012859800000000, 0.0007775700000000, -0.0001368000000000 ] - [ -0.0004976600000000, 0.0001357000000000, -0.0002986400000000 ] - [ 0.0004686900000000, 0.0002853100000000, 0.0009751100000000 ] - [ -0.0005641900000000, -0.0001738100000000, 0.0003522900000000 ] - [ 0.0037128900000000, -0.0001370000000000, 0.0006105400000000 ] - [ -0.0000491000000000, -0.0001150900000000, 0.0001313400000000 ] - [ 0.0003236100000000, 0.0000347700000000, 0.0004628300000000 ] - [ -0.0001688200000000, 0.0002103000000000, -0.0000194800000000 ] - [ 0.0003369800000000, -0.0002497600000000, 0.0004126100000000 ] - [ -0.0005226400000000, -0.0001565100000000, -0.0004393500000000 ] - [ -0.0005814500000000, -0.0031261200000000, -0.0016956000000000 ] - [ -0.0009175500000000, 0.0000574600000000, -0.0003558800000000 ] - [ 0.0003539300000000, -0.0003179400000000, -0.0009412600000000 ] - [ -0.0000683700000000, 0.0002654400000000, -0.0004510600000000 ] - [ -0.0000683700000000, -0.0007504000000000, 0.0004067400000000 ] - [ -0.0002249900000000, -0.0000287600000000, 0.0001321300000000 ] - [ -0.0001111400000000, -0.0003350000000000, 0.0000859600000000 ] - [ -0.0008204900000000, 0.0001818500000000, -0.0005124600000000 ] - [ -0.0007627600000000, 0.0002940800000000, -0.0004132200000000 ] - [ -0.0008707800000000, -0.0005727300000000, 0.0000599200000000 ] - [ -0.0005793300000000, -0.0010685700000000, 0.0008698900000000 ] - [ -0.0003642000000000, 0.0002296100000000, -0.0008855100000000 ] - [ -0.0000775600000000, 0.0002258200000000, -0.0008725100000000 ] - [ 0.0000765900000000, -0.0001578600000000, 0.0000277900000000 ] - [ -0.0004221600000000, -0.0001670400000000, 0.0000052800000000 ] - [ -0.0001569100000000, 0.0006830100000000, 0.0004193600000000 ] - [ -0.0007064900000000, 0.0003701900000000, 0.0001335400000000 ] - [ -0.0008250100000000, -0.0002980800000000, -0.0005704800000000 ] - [ -0.0014104500000000, 0.0012019100000000, -0.0004774700000000 ] - [ -0.0015628700000000, -0.0006623600000000, 0.0008014700000000 ] - [ -0.0001039800000000, 0.0001158500000000, -0.0002215500000000 ] - [ 0.0001126800000000, -0.0003661900000000, -0.0005278600000000 ] - [ -0.0001389300000000, -0.0004018600000000, 0.0003767200000000 ] - [ 0.0000822500000000, 0.0000929700000000, 0.0000579000000000 ] - [ -0.0001725000000000, -0.0002641900000000, 0.0002330900000000 ] - [ -0.0000351200000000, -0.0005234200000000, 0.0000270900000000 ]- atom: 19 displacement: [ -0.0099997439015081, 0.0000000000000000, -0.0000715674804079 ] forces: - [ 0.0000965900000000, 0.0002296800000000, 0.0005141600000000 ] - [ -0.0002193200000000, 0.0003177300000000, -0.0001724900000000 ] - [ -0.0065472900000000, 0.0022038800000000, 0.0045555000000000 ] - [ -0.0004453900000000, 0.0000172200000000, -0.0001775900000000 ] - [ -0.0008287900000000, -0.0031390900000000, 0.0002197000000000 ] - [ -0.0001861200000000, -0.0000541900000000, 0.0000914700000000 ] - [ 0.0002500500000000, -0.0002316300000000, -0.0000310000000000 ] - [ -0.0001449700000000, -0.0003571700000000, -0.0000349400000000 ] - [ 0.0004913400000000, -0.0000832000000000, 0.0003160600000000 ] - [ -0.0000847900000000, -0.0000428500000000, 0.0001497200000000 ] - [ 0.0001590400000000, -0.0000741500000000, 0.0000269900000000 ] - [ -0.0001632800000000, -0.0001385100000000, -0.0000851400000000 ] - [ 0.0019436300000000, 0.0015668000000000, 0.0002841700000000 ] - [ -0.0000357900000000, 0.0000544500000000, -0.0002375500000000 ] - [ 0.0004441300000000, 0.0001280200000000, 0.0001996400000000 ] - [ -0.0000265800000000, 0.0001874700000000, -0.0000754200000000 ] - [ 0.0018261900000000, 0.0002891900000000, 0.0007866900000000 ] - [ 0.0002874700000000, 0.0002390600000000, 0.0001227500000000 ] - [ 0.0328988100000000, -0.0131124800000000, -0.0023115100000000 ] - [ -0.0001785300000000, 0.0000021100000000, 0.0002658500000000 ] - [ 0.0025382500000000, -0.0003882700000000, 0.0010765400000000 ] - [ -0.0001088500000000, 0.0000798300000000, 0.0001128200000000 ] - [ 0.0003001400000000, 0.0003431000000000, -0.0003897700000000 ] - [ -0.0005760000000000, 0.0003506800000000, -0.0004489700000000 ] - [ 0.0006658100000000, -0.0000509100000000, 0.0001136800000000 ] - [ -0.0000083100000000, -0.0000626100000000, -0.0002891700000000 ] - [ 0.0010749100000000, 0.0046223400000000, -0.0019251200000000 ] - [ -0.0000185400000000, 0.0003292800000000, 0.0003195300000000 ] - [ 0.0009161000000000, -0.0002499700000000, 0.0004246800000000 ] - [ 0.0003332900000000, -0.0002419200000000, 0.0001602300000000 ] - [ 0.0000067400000000, -0.0000316500000000, -0.0003187900000000 ] - [ -0.0002738200000000, -0.0000362000000000, -0.0003796700000000 ] - [ 0.0003874500000000, 0.0001232400000000, 0.0004770500000000 ] - [ -0.0000731900000000, 0.0000113900000000, 0.0002194400000000 ] - [ -0.0003534700000000, 0.0004502000000000, -0.0002507800000000 ] - [ -0.0007801500000000, 0.0002894900000000, -0.0003046700000000 ] - [ -0.0000888200000000, -0.0018058300000000, 0.0004732900000000 ] - [ -0.0006376900000000, -0.0002852900000000, -0.0004456200000000 ] - [ -0.0000436600000000, 0.0001300700000000, 0.0000306600000000 ] - [ -0.0004506300000000, 0.0000192100000000, 0.0000998800000000 ] - [ 0.0004290100000000, -0.0002084900000000, 0.0007856300000000 ] - [ 0.0000399400000000, -0.0003796800000000, 0.0002451000000000 ] - [ -0.0006591700000000, -0.0002349000000000, -0.0013758900000000 ] - [ -0.0004387800000000, 0.0000564500000000, -0.0001411500000000 ] - [ -0.0084694900000000, -0.0010841000000000, 0.0002423400000000 ] - [ -0.0006803900000000, 0.0001472300000000, -0.0003872700000000 ] - [ -0.0005554500000000, -0.0001474900000000, 0.0004765900000000 ] - [ -0.0009134600000000, -0.0003302400000000, -0.0004878200000000 ] - [ -0.0002730700000000, -0.0002103600000000, -0.0002313700000000 ] - [ -0.0002336900000000, -0.0000718800000000, -0.0000798800000000 ] - [ -0.0008514300000000, 0.0006832400000000, 0.0004581700000000 ] - [ -0.0006289700000000, -0.0002414600000000, 0.0000451000000000 ] - [ -0.0000838200000000, 0.0001924300000000, -0.0000812900000000 ] - [ 0.0000047200000000, 0.0001156800000000, 0.0000569600000000 ] - [ -0.0001559500000000, -0.0000188200000000, -0.0001291800000000 ] - [ -0.0002427000000000, 0.0000728100000000, -0.0002733600000000 ] - [ -0.0001743700000000, 0.0004270100000000, 0.0000043600000000 ] - [ -0.0000977900000000, 0.0002685200000000, 0.0000430400000000 ] - [ -0.0005332500000000, -0.0000914600000000, -0.0000999100000000 ] - [ -0.0006703600000000, 0.0007296100000000, -0.0001522200000000 ] - [ -0.0005159600000000, -0.0000717900000000, 0.0001977800000000 ] - [ -0.0030514400000000, -0.0006878900000000, -0.0018674500000000 ] - [ -0.0001559200000000, -0.0003324900000000, -0.0000410100000000 ] - [ -0.0000997200000000, -0.0004041000000000, -0.0003701800000000 ] - [ 0.0000514400000000, 0.0001354400000000, -0.0000022800000000 ] - [ -0.0003183700000000, -0.0006198200000000, -0.0003663500000000 ] - [ -0.0001567800000000, 0.0028409800000000, -0.0021489100000000 ] - [ -0.0001760500000000, 0.0004065000000000, -0.0002056500000000 ] - [ 0.0004555900000000, -0.0011118400000000, 0.0013127200000000 ] - [ -0.0003622500000000, -0.0006813200000000, -0.0000985300000000 ] - [ 0.0029407200000000, 0.0020192700000000, 0.0011582000000000 ] - [ -0.0002855700000000, 0.0006005200000000, 0.0000107400000000 ] - [ -0.0011003200000000, -0.0018126900000000, -0.0005700900000000 ] - [ -0.0006784600000000, -0.0005436000000000, -0.0002678900000000 ] - [ -0.0004624900000000, -0.0000482300000000, 0.0005589400000000 ] - [ -0.0004322700000000, 0.0009417100000000, -0.0005791100000000 ] - [ -0.0006503900000000, 0.0000293600000000, -0.0006468900000000 ] - [ -0.0003606300000000, -0.0012962600000000, 0.0010316000000000 ] - [ -0.0005982000000000, 0.0005645400000000, 0.0001524400000000 ] - [ -0.0003578400000000, 0.0001675700000000, -0.0001070700000000 ] - [ -0.0000571900000000, 0.0000040800000000, -0.0005519400000000 ] - [ 0.0003599900000000, 0.0003873500000000, -0.0000397100000000 ] - [ -0.0006483100000000, 0.0004135500000000, -0.0009451000000000 ] - [ 0.0004346600000000, 0.0000432200000000, 0.0000438700000000 ] - [ -0.0003291500000000, -0.0004045800000000, 0.0002622100000000 ] - [ 0.0001557400000000, 0.0000818200000000, 0.0003913900000000 ] - [ -0.0101181000000000, 0.0068656500000000, -0.0054059200000000 ] - [ 0.0005029900000000, -0.0002548400000000, -0.0001971700000000 ] - [ 0.0001123700000000, -0.0011688100000000, -0.0010906200000000 ] - [ 0.0009688300000000, -0.0001728900000000, 0.0002643200000000 ] - [ -0.0016832200000000, 0.0010446900000000, 0.0002335300000000 ] - [ 0.0002248800000000, -0.0002536100000000, -0.0002070500000000 ] - [ -0.0009550200000000, -0.0001477600000000, 0.0013212200000000 ] - [ 0.0000899100000000, 0.0000096100000000, 0.0004213100000000 ] - [ -0.0055557300000000, -0.0016917000000000, 0.0040707800000000 ] - [ 0.0002423500000000, 0.0001797100000000, 0.0005859500000000 ] - [ -0.0006714300000000, -0.0008705200000000, 0.0003304300000000 ] - [ 0.0009154600000000, 0.0002644400000000, 0.0001812600000000 ] - [ -0.0002143300000000, 0.0003429600000000, -0.0000189300000000 ] - [ 0.0009056200000000, -0.0000709200000000, 0.0004725700000000 ] - [ -0.0015020800000000, -0.0004989100000000, -0.0002875200000000 ] - [ 0.0002810100000000, 0.0001379400000000, -0.0001263700000000 ] - [ -0.0009183800000000, -0.0006297200000000, -0.0000486900000000 ] - [ 0.0001133900000000, -0.0001739500000000, 0.0005719900000000 ] - [ -0.0028263900000000, 0.0001793700000000, 0.0000137700000000 ] - [ 0.0009664800000000, 0.0000990400000000, 0.0004510200000000 ] - [ -0.0001095100000000, 0.0002383400000000, -0.0000421500000000 ] - [ 0.0003866400000000, 0.0000656800000000, 0.0004455600000000 ] - [ -0.0005493500000000, -0.0000236300000000, -0.0008474800000000 ] - [ 0.0003059500000000, -0.0001176800000000, 0.0000142800000000 ] - [ -0.0003656800000000, 0.0031370600000000, 0.0011134300000000 ] - [ -0.0000007200000000, -0.0000411200000000, -0.0002262400000000 ] - [ 0.0000951900000000, 0.0006650900000000, 0.0000156500000000 ] - [ 0.0005192000000000, 0.0000828300000000, -0.0004722100000000 ] - [ 0.0002829000000000, 0.0004762500000000, 0.0000194900000000 ] - [ 0.0004424100000000, -0.0002447400000000, 0.0002926900000000 ] - [ -0.0008090500000000, 0.0003228300000000, -0.0006713500000000 ] - [ -0.0000959900000000, -0.0001965800000000, -0.0000706900000000 ] - [ -0.0002545700000000, -0.0006335700000000, 0.0002774700000000 ] - [ -0.0001393500000000, 0.0002349700000000, -0.0001936200000000 ] - [ 0.0010351300000000, 0.0007282600000000, -0.0018060700000000 ] - [ 0.0008136400000000, -0.0005725900000000, -0.0000413900000000 ] - [ 0.0005070200000000, -0.0001803100000000, 0.0002231800000000 ] - [ 0.0003563100000000, 0.0002033500000000, -0.0006761200000000 ] - [ 0.0009598200000000, 0.0005892300000000, 0.0006350900000000 ] - [ 0.0006981300000000, -0.0002590400000000, 0.0002229000000000 ] - [ -0.0003058300000000, -0.0000365900000000, -0.0002716900000000 ] - [ -0.0001854800000000, 0.0006290100000000, 0.0004310900000000 ] - [ 0.0013185600000000, -0.0005383800000000, 0.0009775900000000 ] - [ 0.0014509900000000, 0.0013252300000000, -0.0003003300000000 ] - [ 0.0005340400000000, -0.0001636100000000, -0.0004309400000000 ] - [ 0.0003206400000000, 0.0003179600000000, -0.0001246900000000 ] - [ 0.0006802000000000, -0.0000170400000000, 0.0002627200000000 ] - [ 0.0004655200000000, -0.0005163800000000, 0.0005889700000000 ] - [ 0.0000697500000000, -0.0004089600000000, 0.0002593100000000 ] - [ -0.0000634600000000, -0.0001495300000000, 0.0004676700000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001744000000000, -0.0002691700000000, 0.0000079500000000 ] - [ 0.0000559700000000, 0.0002133900000000, -0.0000113700000000 ] - [ -0.0026795700000000, -0.0022113400000000, 0.0013894800000000 ] - [ 0.0000073100000000, -0.0000262900000000, -0.0000345300000000 ] - [ 0.0037524300000000, 0.0021383100000000, -0.0000974000000000 ] - [ 0.0000309000000000, -0.0001456400000000, 0.0000673200000000 ] - [ 0.0000128300000000, 0.0007213700000000, -0.0000967200000000 ] - [ 0.0000359000000000, -0.0002507500000000, -0.0000319600000000 ] - [ 0.0004337700000000, 0.0008536700000000, 0.0001148800000000 ] - [ 0.0001078700000000, 0.0000416800000000, 0.0002072300000000 ] - [ -0.0000402500000000, 0.0004790900000000, -0.0000297900000000 ] - [ -0.0000238500000000, -0.0000345200000000, -0.0000185100000000 ] - [ -0.0015227000000000, 0.0066527700000000, 0.0016154100000000 ] - [ 0.0002360000000000, 0.0000603100000000, -0.0001912400000000 ] - [ 0.0003206500000000, 0.0001577800000000, 0.0003915000000000 ] - [ 0.0000810400000000, 0.0001605000000000, 0.0000082900000000 ] - [ 0.0005214600000000, -0.0011116400000000, 0.0010525100000000 ] - [ 0.0005221300000000, 0.0001902000000000, 0.0002199100000000 ] - [ 0.0132307000000000, -0.0274102900000000, 0.0089490300000000 ] - [ 0.0001021500000000, -0.0000928300000000, 0.0003178500000000 ] - [ 0.0004794000000000, -0.0026757900000000, 0.0020058700000000 ] - [ 0.0001052200000000, -0.0000266700000000, 0.0001943000000000 ] - [ -0.0002130700000000, 0.0005466900000000, 0.0002903200000000 ] - [ -0.0003628600000000, 0.0003647900000000, -0.0003924400000000 ] - [ 0.0004267300000000, 0.0000482200000000, -0.0004020800000000 ] - [ 0.0002175700000000, -0.0000580000000000, -0.0001819500000000 ] - [ -0.0042241900000000, 0.0077171200000000, -0.0045175700000000 ] - [ 0.0003385900000000, 0.0003403700000000, 0.0003747800000000 ] - [ 0.0005501700000000, 0.0007545800000000, 0.0002012000000000 ] - [ 0.0005369700000000, -0.0001900100000000, 0.0002292200000000 ] - [ -0.0001357000000000, 0.0003117300000000, -0.0002935200000000 ] - [ -0.0001402900000000, 0.0001415100000000, -0.0003090200000000 ] - [ 0.0002271500000000, 0.0005188600000000, 0.0003661000000000 ] - [ 0.0001155900000000, 0.0001032200000000, 0.0003148100000000 ] - [ -0.0008213000000000, 0.0013914700000000, -0.0003995200000000 ] - [ -0.0005701800000000, 0.0003788500000000, -0.0002444400000000 ] - [ 0.0017115100000000, 0.0010499900000000, -0.0014933700000000 ] - [ -0.0004117300000000, -0.0003363900000000, -0.0003769800000000 ] - [ -0.0005448700000000, 0.0001301200000000, -0.0002755500000000 ] - [ -0.0001848100000000, 0.0000290600000000, 0.0002267000000000 ] - [ 0.0000727900000000, -0.0002030300000000, 0.0006156500000000 ] - [ 0.0003623300000000, -0.0003572500000000, 0.0003858700000000 ] - [ 0.0001188800000000, -0.0008452300000000, 0.0001509900000000 ] - [ -0.0002021500000000, -0.0001960300000000, -0.0002339400000000 ] - [ 0.0009818700000000, -0.0024703500000000, -0.0002021300000000 ] - [ -0.0002525900000000, -0.0001435100000000, -0.0002853500000000 ] - [ -0.0007657800000000, -0.0008441300000000, -0.0002038500000000 ] - [ -0.0006186600000000, -0.0004253000000000, -0.0002790200000000 ] - [ -0.0000729000000000, -0.0001251400000000, 0.0000800600000000 ] - [ -0.0003207400000000, -0.0000430800000000, -0.0002523500000000 ] - [ -0.0011723800000000, 0.0002901100000000, 0.0003220800000000 ] - [ -0.0000647800000000, -0.0001054000000000, 0.0002019900000000 ] - [ -0.0000712600000000, 0.0004041200000000, -0.0000323400000000 ] - [ 0.0000336700000000, 0.0004250400000000, 0.0000429800000000 ] - [ -0.0000532400000000, 0.0003134900000000, -0.0002232100000000 ] - [ -0.0001631900000000, 0.0003316300000000, -0.0001973300000000 ] - [ -0.0001165500000000, 0.0006831200000000, -0.0000006400000000 ] - [ 0.0000632900000000, 0.0007500600000000, -0.0000212100000000 ] - [ 0.0000960400000000, 0.0001387100000000, -0.0001274900000000 ] - [ -0.0009196100000000, 0.0004776100000000, -0.0000344800000000 ] - [ -0.0000753000000000, -0.0003629600000000, 0.0000121400000000 ] - [ 0.0001322300000000, -0.0015103600000000, 0.0000185700000000 ] - [ -0.0000775800000000, -0.0005606900000000, 0.0000056500000000 ] - [ -0.0000272800000000, -0.0008698700000000, -0.0000935300000000 ] - [ -0.0004259200000000, 0.0000781300000000, 0.0000606900000000 ] - [ 0.0005973000000000, -0.0003147300000000, -0.0000286200000000 ] - [ -0.0016199000000000, 0.0028597700000000, -0.0034704900000000 ] - [ 0.0003302600000000, 0.0004473100000000, -0.0001193200000000 ] - [ 0.0011774600000000, 0.0003513400000000, -0.0016702100000000 ] - [ 0.0000363100000000, -0.0007362200000000, 0.0000985800000000 ] - [ -0.0003142200000000, 0.0050723000000000, 0.0029400700000000 ] - [ 0.0001032800000000, 0.0006981400000000, 0.0001256100000000 ] - [ 0.0010664900000000, 0.0011632700000000, 0.0003958900000000 ] - [ -0.0005867100000000, -0.0005306200000000, -0.0002290800000000 ] - [ 0.0000217300000000, 0.0006262500000000, -0.0002890700000000 ] - [ -0.0007916000000000, 0.0006040700000000, -0.0004696000000000 ] - [ -0.0008241600000000, -0.0009177500000000, -0.0001211600000000 ] - [ 0.0005282800000000, -0.0007929900000000, 0.0002425600000000 ] - [ -0.0004824100000000, 0.0006325200000000, 0.0001197400000000 ] - [ 0.0014517000000000, 0.0010220600000000, 0.0008068800000000 ] - [ 0.0001356100000000, -0.0003601900000000, -0.0004732900000000 ] - [ 0.0000058200000000, 0.0001437000000000, -0.0003422200000000 ] - [ -0.0011954200000000, -0.0001048600000000, 0.0000080600000000 ] - [ 0.0000880100000000, 0.0002228600000000, -0.0001908600000000 ] - [ 0.0005534500000000, -0.0012065200000000, 0.0000098200000000 ] - [ -0.0003288300000000, -0.0001640900000000, 0.0003660800000000 ] - [ -0.0053325900000000, 0.0070153200000000, -0.0038036000000000 ] - [ 0.0000238100000000, -0.0002129200000000, -0.0002614800000000 ] - [ 0.0013045300000000, -0.0004075600000000, -0.0010500600000000 ] - [ 0.0004202100000000, -0.0000908700000000, 0.0000477300000000 ] - [ -0.0021343800000000, -0.0016156800000000, -0.0023884000000000 ] - [ -0.0000933700000000, -0.0001964500000000, -0.0002721300000000 ] - [ -0.0003126000000000, 0.0005894800000000, 0.0021986900000000 ] - [ -0.0002309300000000, 0.0000904200000000, 0.0003257700000000 ] - [ 0.0006403000000000, 0.0055535100000000, -0.0026070400000000 ] - [ -0.0001416500000000, 0.0002857800000000, 0.0004729200000000 ] - [ 0.0005433800000000, -0.0019842500000000, 0.0014107100000000 ] - [ 0.0005261600000000, 0.0001200500000000, 0.0000733500000000 ] - [ 0.0002133900000000, -0.0007292900000000, 0.0009728600000000 ] - [ 0.0004814700000000, -0.0000453200000000, 0.0002928200000000 ] - [ -0.0003042400000000, -0.0027007200000000, -0.0005885200000000 ] - [ -0.0000530400000000, 0.0000588500000000, -0.0001900200000000 ] - [ 0.0000415500000000, -0.0014545500000000, -0.0003051400000000 ] - [ -0.0001897200000000, -0.0002621400000000, 0.0004755200000000 ] - [ -0.0005540900000000, 0.0052691100000000, 0.0012649100000000 ] - [ 0.0004595000000000, 0.0000567300000000, 0.0002929500000000 ] - [ 0.0001211700000000, 0.0004884200000000, 0.0000905800000000 ] - [ 0.0002997800000000, 0.0003055900000000, 0.0003877200000000 ] - [ -0.0003225400000000, 0.0003872700000000, 0.0003140500000000 ] - [ -0.0000366500000000, -0.0000283200000000, -0.0001656600000000 ] - [ -0.0039215900000000, -0.0016480000000000, -0.0021929300000000 ] - [ -0.0003214500000000, 0.0000785800000000, -0.0002661000000000 ] - [ 0.0000519700000000, -0.0009107200000000, -0.0009055400000000 ] - [ 0.0003729400000000, -0.0000381900000000, -0.0004730000000000 ] - [ -0.0003439500000000, -0.0013446800000000, 0.0002698800000000 ] - [ 0.0003023100000000, -0.0003857600000000, 0.0002528500000000 ] - [ -0.0007535700000000, -0.0002383300000000, -0.0002534700000000 ] - [ -0.0002594500000000, -0.0001995400000000, -0.0002123500000000 ] - [ 0.0007496200000000, -0.0005956300000000, 0.0003979400000000 ] - [ -0.0007310800000000, -0.0002817100000000, -0.0001179500000000 ] - [ -0.0002979400000000, 0.0003413600000000, -0.0002163800000000 ] - [ 0.0006346400000000, 0.0000204300000000, -0.0003362100000000 ] - [ 0.0004376000000000, 0.0004909900000000, -0.0001005600000000 ] - [ -0.0000089500000000, 0.0004226800000000, -0.0002661000000000 ] - [ -0.0006332400000000, -0.0000134800000000, -0.0000576300000000 ] - [ 0.0007757500000000, 0.0001157200000000, 0.0003193000000000 ] - [ -0.0001086400000000, 0.0002432100000000, -0.0000661700000000 ] - [ -0.0010069700000000, 0.0006259600000000, -0.0001927100000000 ] - [ 0.0003290700000000, 0.0008834200000000, 0.0002436600000000 ] - [ -0.0004869600000000, 0.0012254300000000, 0.0002416300000000 ] - [ 0.0004634200000000, -0.0003410700000000, -0.0003538800000000 ] - [ -0.0004564900000000, -0.0007325200000000, -0.0005078500000000 ] - [ 0.0001037800000000, -0.0002504400000000, 0.0003010400000000 ] - [ 0.0011635600000000, -0.0006755000000000, 0.0008894000000000 ] - [ 0.0000611800000000, -0.0005817300000000, 0.0002801300000000 ] - [ -0.0003576600000000, -0.0009045600000000, -0.0002314200000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000921100000000, 0.0009740600000000, -0.0000422300000000 ] - [ 0.0000295000000000, 0.0004888900000000, -0.0000241700000000 ] - [ 0.0026389000000000, 0.0025136200000000, -0.0014144300000000 ] - [ -0.0000184500000000, 0.0002999900000000, -0.0000031100000000 ] - [ -0.0033875200000000, -0.0024222600000000, 0.0002359900000000 ] - [ 0.0003000100000000, -0.0001447100000000, 0.0000787000000000 ] - [ 0.0000749200000000, -0.0014252200000000, 0.0000625000000000 ] - [ 0.0000489800000000, -0.0004516900000000, -0.0000037600000000 ] - [ -0.0001603800000000, -0.0009353600000000, 0.0002931600000000 ] - [ 0.0001643000000000, -0.0001217000000000, 0.0002053800000000 ] - [ 0.0000289600000000, -0.0007535800000000, -0.0000064600000000 ] - [ 0.0000120000000000, -0.0002389500000000, -0.0000195100000000 ] - [ 0.0020519800000000, -0.0066199100000000, -0.0019994600000000 ] - [ 0.0002674000000000, 0.0000605200000000, -0.0001633100000000 ] - [ 0.0000081700000000, 0.0001301800000000, -0.0002442000000000 ] - [ 0.0002499000000000, 0.0001292600000000, 0.0001375200000000 ] - [ 0.0006037600000000, 0.0016750200000000, -0.0005465000000000 ] - [ 0.0006039000000000, 0.0003607100000000, 0.0002667100000000 ] - [ -0.0131080300000000, 0.0271921900000000, -0.0083880200000000 ] - [ 0.0001554500000000, 0.0000437600000000, 0.0003148200000000 ] - [ -0.0002072300000000, 0.0027426500000000, -0.0016234400000000 ] - [ 0.0001673900000000, 0.0001068100000000, 0.0002177600000000 ] - [ -0.0004234300000000, 0.0001434600000000, -0.0010284600000000 ] - [ -0.0002716400000000, 0.0003237800000000, -0.0003427200000000 ] - [ 0.0000747000000000, -0.0001673500000000, 0.0000492500000000 ] - [ 0.0002857000000000, -0.0000622100000000, -0.0001728300000000 ] - [ 0.0047850700000000, -0.0069264000000000, 0.0051612400000000 ] - [ 0.0002963600000000, 0.0003482800000000, 0.0003603800000000 ] - [ 0.0005726200000000, -0.0013075100000000, 0.0002866500000000 ] - [ 0.0005889400000000, -0.0003606000000000, 0.0002574100000000 ] - [ -0.0001215500000000, -0.0003610500000000, -0.0003396100000000 ] - [ -0.0001164200000000, -0.0001901800000000, -0.0003231300000000 ] - [ 0.0000291100000000, -0.0004713800000000, 0.0002664200000000 ] - [ 0.0001419500000000, -0.0000542000000000, 0.0003178800000000 ] - [ -0.0003073600000000, -0.0008382800000000, -0.0000890800000000 ] - [ -0.0005549800000000, 0.0001717900000000, -0.0002419000000000 ] - [ -0.0023674100000000, -0.0017435500000000, 0.0007658500000000 ] - [ -0.0002228800000000, -0.0003518800000000, -0.0003582400000000 ] - [ 0.0000427600000000, -0.0000111700000000, 0.0006286900000000 ] - [ -0.0003180700000000, 0.0000907600000000, 0.0001286000000000 ] - [ 0.0005626700000000, -0.0004866500000000, 0.0001191600000000 ] - [ 0.0002729500000000, -0.0003315300000000, 0.0003495900000000 ] - [ -0.0003855200000000, 0.0007675700000000, -0.0005577100000000 ] - [ -0.0000704400000000, 0.0001166900000000, -0.0001779000000000 ] - [ -0.0012029500000000, 0.0025266000000000, -0.0004348600000000 ] - [ -0.0000054000000000, 0.0001927000000000, -0.0003473900000000 ] - [ -0.0003582000000000, 0.0002936700000000, -0.0002823700000000 ] - [ -0.0005070200000000, -0.0001255800000000, -0.0002077600000000 ] - [ -0.0002576600000000, -0.0001643200000000, -0.0002259400000000 ] - [ -0.0000091600000000, -0.0002465000000000, 0.0001072200000000 ] - [ 0.0006667500000000, -0.0004113200000000, 0.0000347000000000 ] - [ -0.0004371100000000, -0.0000158200000000, 0.0001525200000000 ] - [ 0.0000828100000000, -0.0001303800000000, 0.0000697600000000 ] - [ -0.0000212100000000, -0.0001525100000000, -0.0000047400000000 ] - [ -0.0002199200000000, -0.0002339300000000, -0.0001886400000000 ] - [ -0.0001076100000000, -0.0002510900000000, -0.0002142000000000 ] - [ 0.0000309000000000, 0.0000191600000000, 0.0000365300000000 ] - [ -0.0001464300000000, -0.0000481000000000, 0.0000562700000000 ] - [ -0.0004268400000000, 0.0001524400000000, -0.0000184500000000 ] - [ 0.0005921900000000, -0.0001856500000000, -0.0001104000000000 ] - [ 0.0000886600000000, 0.0000889900000000, 0.0000254700000000 ] - [ -0.0001352000000000, 0.0012325300000000, 0.0000118800000000 ] - [ -0.0000065200000000, -0.0001417100000000, 0.0000305900000000 ] - [ -0.0000584500000000, 0.0001677000000000, 0.0001284700000000 ] - [ 0.0008884500000000, -0.0010905300000000, -0.0003584700000000 ] - [ -0.0001372200000000, -0.0007015700000000, -0.0002651800000000 ] - [ 0.0021067800000000, -0.0018407300000000, 0.0031943200000000 ] - [ 0.0001290500000000, 0.0005700500000000, -0.0001751000000000 ] - [ -0.0007787600000000, -0.0016832400000000, 0.0020015700000000 ] - [ 0.0003698800000000, -0.0005764900000000, 0.0002273500000000 ] - [ 0.0006936900000000, -0.0037306800000000, -0.0025707200000000 ] - [ 0.0003033100000000, 0.0006137600000000, 0.0001998600000000 ] - [ -0.0014702700000000, -0.0024688300000000, -0.0007226400000000 ] - [ 0.0001817000000000, -0.0007808800000000, -0.0000965900000000 ] - [ -0.0004284100000000, 0.0006893800000000, -0.0000366200000000 ] - [ 0.0003869600000000, 0.0007090200000000, 0.0001432400000000 ] - [ 0.0003636300000000, -0.0001042000000000, 0.0004154400000000 ] - [ -0.0009890600000000, -0.0002255800000000, 0.0000513000000000 ] - [ 0.0000243100000000, 0.0003832700000000, 0.0001742100000000 ] - [ -0.0019052600000000, -0.0000058200000000, -0.0005103800000000 ] - [ -0.0000345900000000, 0.0010330500000000, -0.0000194600000000 ] - [ 0.0000953500000000, 0.0005292400000000, -0.0001507500000000 ] - [ 0.0006606800000000, 0.0005330000000000, -0.0006465800000000 ] - [ -0.0006281700000000, 0.0001988300000000, -0.0004499300000000 ] - [ -0.0009943000000000, 0.0012568100000000, 0.0006472400000000 ] - [ -0.0001021600000000, 0.0002103900000000, 0.0002859300000000 ] - [ 0.0056918400000000, -0.0078653200000000, 0.0034787600000000 ] - [ 0.0000769300000000, -0.0004616000000000, -0.0002304800000000 ] - [ -0.0002951100000000, 0.0000624000000000, 0.0011923700000000 ] - [ 0.0005911700000000, -0.0002457600000000, 0.0000882900000000 ] - [ 0.0015844400000000, 0.0011952700000000, 0.0017319400000000 ] - [ -0.0004479800000000, -0.0002235800000000, -0.0003688900000000 ] - [ -0.0001194600000000, -0.0006436300000000, -0.0015533200000000 ] - [ -0.0002007000000000, -0.0001374000000000, 0.0003260500000000 ] - [ -0.0010257300000000, -0.0051204600000000, 0.0033675500000000 ] - [ -0.0003089000000000, 0.0000628200000000, 0.0004502500000000 ] - [ 0.0004635800000000, 0.0023309400000000, -0.0012888900000000 ] - [ 0.0004853700000000, 0.0002157500000000, 0.0000627100000000 ] - [ 0.0007021100000000, 0.0007536800000000, -0.0003889100000000 ] - [ 0.0004368500000000, 0.0000606100000000, 0.0002900400000000 ] - [ 0.0000918300000000, 0.0029565800000000, 0.0001565300000000 ] - [ -0.0001639800000000, 0.0002150100000000, -0.0002343700000000 ] - [ -0.0004856100000000, 0.0011137600000000, 0.0012272600000000 ] - [ -0.0002613000000000, -0.0000854800000000, 0.0004484300000000 ] - [ 0.0013352000000000, -0.0050422400000000, -0.0005186100000000 ] - [ 0.0004587300000000, -0.0000714500000000, 0.0002900700000000 ] - [ 0.0000943900000000, -0.0002179200000000, 0.0003318800000000 ] - [ -0.0000838000000000, -0.0000318800000000, 0.0000375100000000 ] - [ 0.0001094900000000, -0.0006576200000000, -0.0007462300000000 ] - [ -0.0001803900000000, -0.0002450400000000, -0.0002589600000000 ] - [ 0.0030003600000000, 0.0016220300000000, 0.0016093900000000 ] - [ -0.0005979600000000, -0.0000648300000000, -0.0003172700000000 ] - [ 0.0003999400000000, 0.0012544600000000, -0.0000184700000000 ] - [ 0.0000768000000000, 0.0003861400000000, -0.0004509000000000 ] - [ 0.0005631500000000, 0.0010681400000000, 0.0001584800000000 ] - [ -0.0000869700000000, 0.0001115000000000, 0.0001712500000000 ] - [ -0.0001630200000000, 0.0002224600000000, -0.0003306500000000 ] - [ -0.0006598500000000, 0.0001838800000000, -0.0003712900000000 ] - [ -0.0017541200000000, 0.0002585900000000, -0.0005325000000000 ] - [ -0.0002803300000000, -0.0000526400000000, -0.0000178500000000 ] - [ 0.0007487600000000, -0.0006956400000000, -0.0007049400000000 ] - [ -0.0001837800000000, -0.0003702200000000, -0.0005868300000000 ] - [ -0.0000076400000000, -0.0004417500000000, -0.0005513700000000 ] - [ 0.0004413200000000, -0.0003752400000000, -0.0003861200000000 ] - [ 0.0011725300000000, 0.0004318500000000, 0.0006981300000000 ] - [ -0.0002368000000000, 0.0003018200000000, 0.0003212000000000 ] - [ -0.0009045700000000, 0.0000939900000000, -0.0000702700000000 ] - [ -0.0000078700000000, -0.0002857500000000, 0.0000559200000000 ] - [ -0.0004329700000000, -0.0002059900000000, 0.0002474600000000 ] - [ 0.0003882500000000, -0.0005476100000000, 0.0002520800000000 ] - [ -0.0000327700000000, 0.0002945800000000, -0.0002979600000000 ] - [ 0.0008834000000000, 0.0006854700000000, -0.0001464200000000 ] - [ 0.0004365400000000, -0.0001708700000000, 0.0003396200000000 ] - [ -0.0006258200000000, 0.0002494000000000, -0.0002472900000000 ] - [ -0.0001627700000000, -0.0000908900000000, 0.0002131800000000 ] - [ 0.0002550000000000, 0.0002318400000000, 0.0007222900000000 ]- atom: 19 displacement: [ -0.0030577532044204, 0.0000000000000000, 0.0095210369887348 ] forces: - [ -0.0005162100000000, 0.0003576600000000, 0.0011137300000000 ] - [ 0.0001233600000000, 0.0003626400000000, -0.0000082100000000 ] - [ -0.0065758500000000, 0.0019506900000000, 0.0011875300000000 ] - [ -0.0000484400000000, 0.0001035000000000, -0.0001029700000000 ] - [ -0.0004100900000000, -0.0015219900000000, -0.0016739500000000 ] - [ 0.0001079200000000, -0.0001197700000000, 0.0000444200000000 ] - [ 0.0001157200000000, -0.0003564800000000, -0.0002584800000000 ] - [ 0.0000295200000000, -0.0003534100000000, -0.0000250000000000 ] - [ 0.0000732800000000, -0.0004423800000000, 0.0000663300000000 ] - [ 0.0001368900000000, -0.0000374600000000, 0.0002007200000000 ] - [ -0.0000058600000000, -0.0001783300000000, 0.0001238100000000 ] - [ 0.0000023600000000, -0.0001492900000000, 0.0000133700000000 ] - [ 0.0003737300000000, 0.0018525800000000, -0.0016592200000000 ] - [ 0.0002316700000000, 0.0000559500000000, -0.0001915900000000 ] - [ 0.0000947700000000, 0.0003560600000000, 0.0007782100000000 ] - [ 0.0002083400000000, 0.0001254100000000, 0.0001295600000000 ] - [ 0.0006181100000000, 0.0013938100000000, 0.0044644300000000 ] - [ 0.0005789000000000, 0.0002861400000000, 0.0002806600000000 ] - [ 0.0127333600000000, 0.0039473400000000, -0.0274571400000000 ] - [ 0.0000828900000000, -0.0000148600000000, 0.0003024100000000 ] - [ -0.0000686700000000, 0.0019650600000000, 0.0091267700000000 ] - [ 0.0001521900000000, 0.0000444600000000, 0.0002270400000000 ] - [ -0.0001048700000000, 0.0008013300000000, -0.0000478400000000 ] - [ -0.0003036700000000, 0.0003372500000000, -0.0003075800000000 ] - [ -0.0000358000000000, -0.0002868100000000, 0.0004851700000000 ] - [ 0.0002931800000000, -0.0000589200000000, -0.0001584200000000 ] - [ 0.0028941100000000, -0.0031121000000000, -0.0008075200000000 ] - [ 0.0002389000000000, 0.0003366400000000, 0.0003698000000000 ] - [ 0.0005083900000000, -0.0003156400000000, 0.0001610000000000 ] - [ 0.0005701100000000, -0.0002830800000000, 0.0002203700000000 ] - [ -0.0000857800000000, -0.0000482100000000, -0.0001960400000000 ] - [ -0.0001131600000000, -0.0000344500000000, -0.0002453700000000 ] - [ 0.0000530300000000, 0.0000074400000000, 0.0005695300000000 ] - [ 0.0001588700000000, 0.0000219300000000, 0.0003328300000000 ] - [ -0.0004781000000000, 0.0001484700000000, -0.0004127200000000 ] - [ -0.0005981400000000, 0.0002525600000000, -0.0002465300000000 ] - [ -0.0013444700000000, -0.0019841400000000, -0.0005445100000000 ] - [ -0.0003020900000000, -0.0003359200000000, -0.0004176900000000 ] - [ 0.0000134400000000, -0.0001395600000000, 0.0005562100000000 ] - [ -0.0002546000000000, 0.0000754000000000, 0.0003257100000000 ] - [ 0.0000519200000000, -0.0001667600000000, 0.0009031400000000 ] - [ 0.0003773800000000, -0.0003345700000000, 0.0003666400000000 ] - [ 0.0008220300000000, 0.0001916900000000, 0.0000928600000000 ] - [ -0.0002826600000000, -0.0000119700000000, 0.0000021800000000 ] - [ -0.0031585000000000, -0.0002011200000000, -0.0023402300000000 ] - [ -0.0002293700000000, 0.0000913200000000, -0.0004917400000000 ] - [ -0.0011145000000000, -0.0002218400000000, 0.0007159900000000 ] - [ -0.0004674700000000, -0.0002699700000000, -0.0002351500000000 ] - [ -0.0000955800000000, -0.0001028900000000, 0.0000118500000000 ] - [ -0.0002054500000000, -0.0002597900000000, 0.0002918100000000 ] - [ -0.0006407900000000, 0.0002941800000000, -0.0000117000000000 ] - [ -0.0002753300000000, -0.0000978000000000, -0.0000151000000000 ] - [ 0.0000635700000000, 0.0001096400000000, 0.0000322700000000 ] - [ -0.0000808300000000, 0.0000901000000000, 0.0001516300000000 ] - [ -0.0002105200000000, -0.0000071000000000, -0.0001862600000000 ] - [ -0.0000740800000000, 0.0000090600000000, -0.0002817800000000 ] - [ -0.0000374400000000, 0.0003784600000000, -0.0000555300000000 ] - [ -0.0000918700000000, 0.0002759400000000, -0.0000896200000000 ] - [ -0.0002337900000000, 0.0000302900000000, -0.0002216700000000 ] - [ -0.0001518300000000, 0.0002391000000000, -0.0005035800000000 ] - [ -0.0002240600000000, -0.0000956800000000, 0.0000667500000000 ] - [ 0.0009480700000000, -0.0000586100000000, -0.0007089300000000 ] - [ -0.0000324900000000, -0.0003476200000000, 0.0002218800000000 ] - [ 0.0003986700000000, -0.0002929800000000, 0.0004418300000000 ] - [ -0.0004752300000000, 0.0004714100000000, -0.0003149400000000 ] - [ 0.0003574800000000, -0.0004765400000000, -0.0001467700000000 ] - [ 0.0018989300000000, -0.0013509600000000, 0.0002752000000000 ] - [ 0.0001356500000000, 0.0005238300000000, -0.0000894100000000 ] - [ -0.0015144300000000, -0.0026797800000000, 0.0037619200000000 ] - [ 0.0002543700000000, -0.0006489500000000, 0.0001802800000000 ] - [ 0.0001531300000000, 0.0041021700000000, 0.0004844600000000 ] - [ 0.0001647900000000, 0.0006458400000000, 0.0001399600000000 ] - [ 0.0001622400000000, -0.0001598100000000, -0.0001057300000000 ] - [ -0.0004972000000000, -0.0005211700000000, -0.0002575900000000 ] - [ -0.0005097500000000, 0.0004646800000000, 0.0008426100000000 ] - [ 0.0001336500000000, 0.0006809800000000, -0.0001147800000000 ] - [ 0.0000869300000000, -0.0003648400000000, -0.0003286600000000 ] - [ -0.0010183800000000, -0.0006352300000000, 0.0005779300000000 ] - [ -0.0003449400000000, 0.0006049600000000, 0.0002824300000000 ] - [ 0.0009946700000000, 0.0010768200000000, 0.0002865600000000 ] - [ 0.0003529500000000, 0.0000343100000000, -0.0007159100000000 ] - [ -0.0000243100000000, 0.0003288500000000, -0.0002763100000000 ] - [ 0.0008288100000000, 0.0008838900000000, -0.0008588100000000 ] - [ -0.0003867800000000, 0.0001827400000000, -0.0002467600000000 ] - [ -0.0000511700000000, -0.0002645900000000, 0.0006971200000000 ] - [ -0.0002425300000000, 0.0000203400000000, 0.0003801800000000 ] - [ 0.0009026900000000, -0.0020208000000000, 0.0041025800000000 ] - [ 0.0001635400000000, -0.0003084100000000, -0.0002405300000000 ] - [ 0.0015802100000000, -0.0017879900000000, -0.0009291900000000 ] - [ 0.0004403200000000, -0.0001510000000000, 0.0000709600000000 ] - [ -0.0018509300000000, -0.0022210800000000, -0.0007583900000000 ] - [ -0.0002028300000000, -0.0002257900000000, -0.0003482300000000 ] - [ -0.0011205100000000, 0.0012065500000000, -0.0012718600000000 ] - [ -0.0002354600000000, -0.0000575000000000, 0.0002347000000000 ] - [ -0.0037386700000000, -0.0031928600000000, 0.0084819000000000 ] - [ -0.0001964100000000, 0.0001491200000000, 0.0004622300000000 ] - [ 0.0003333600000000, 0.0011371600000000, 0.0001495300000000 ] - [ 0.0005297700000000, 0.0001813100000000, 0.0000627900000000 ] - [ 0.0004258200000000, 0.0010679600000000, -0.0008079400000000 ] - [ 0.0004387000000000, 0.0000147300000000, 0.0002469100000000 ] - [ -0.0004904600000000, -0.0004248600000000, 0.0010891300000000 ] - [ -0.0000670900000000, 0.0001390300000000, -0.0001829200000000 ] - [ 0.0000652100000000, -0.0007834800000000, 0.0000016200000000 ] - [ -0.0002539500000000, -0.0001714200000000, 0.0004677500000000 ] - [ -0.0011001700000000, 0.0017089400000000, 0.0047038900000000 ] - [ 0.0004970900000000, 0.0000026200000000, 0.0003453200000000 ] - [ -0.0001586400000000, -0.0001456300000000, -0.0008054800000000 ] - [ -0.0000952400000000, 0.0001819400000000, 0.0000611000000000 ] - [ 0.0010083300000000, -0.0001014700000000, -0.0028380200000000 ] - [ -0.0001906800000000, -0.0001414500000000, -0.0002540200000000 ] - [ -0.0019674000000000, -0.0009416500000000, 0.0012282100000000 ] - [ -0.0003330200000000, -0.0000145300000000, -0.0002732200000000 ] - [ 0.0000373400000000, 0.0000562700000000, -0.0004286300000000 ] - [ 0.0003391000000000, 0.0001456000000000, -0.0006029500000000 ] - [ 0.0000835000000000, -0.0002927200000000, 0.0007467300000000 ] - [ 0.0001492400000000, -0.0001467500000000, 0.0003409200000000 ] - [ -0.0002999400000000, 0.0000969900000000, -0.0007385500000000 ] - [ -0.0006007200000000, 0.0000512800000000, -0.0003275600000000 ] - [ -0.0009932700000000, -0.0000975800000000, 0.0001163800000000 ] - [ -0.0001879300000000, 0.0000328500000000, -0.0001241300000000 ] - [ 0.0012178300000000, 0.0003284100000000, -0.0011743500000000 ] - [ 0.0000086300000000, -0.0001956800000000, -0.0003316200000000 ] - [ -0.0002036200000000, 0.0001210000000000, -0.0003183500000000 ] - [ 0.0005314700000000, -0.0000729600000000, -0.0009314800000000 ] - [ -0.0000147400000000, 0.0001077700000000, 0.0003360700000000 ] - [ 0.0008360200000000, -0.0001256600000000, 0.0003594000000000 ] - [ -0.0002775100000000, 0.0000511900000000, -0.0003334100000000 ] - [ -0.0009714900000000, 0.0000913900000000, -0.0001196000000000 ] - [ 0.0002041000000000, -0.0000227300000000, 0.0008629500000000 ] - [ 0.0010145700000000, 0.0008388400000000, 0.0005525300000000 ] - [ 0.0003735600000000, -0.0001251500000000, -0.0003853700000000 ] - [ -0.0000930100000000, -0.0000971300000000, 0.0001847800000000 ] - [ 0.0004549800000000, -0.0001145200000000, 0.0001251900000000 ] - [ -0.0002794900000000, 0.0000057500000000, 0.0003211900000000 ] - [ -0.0000832800000000, -0.0003464700000000, 0.0000470800000000 ] - [ -0.0002900800000000, -0.0005589800000000, -0.0001053600000000 ]- atom: 19 displacement: [ 0.0030577532044204, 0.0000000000000000, -0.0095210369887348 ] forces: - [ 0.0006063600000000, 0.0003425100000000, -0.0011490100000000 ] - [ -0.0000391000000000, 0.0003392000000000, -0.0000273800000000 ] - [ 0.0066382600000000, -0.0017013600000000, -0.0012157000000000 ] - [ 0.0000365800000000, 0.0001696800000000, 0.0000648600000000 ] - [ 0.0007343300000000, 0.0012262300000000, 0.0018317300000000 ] - [ 0.0002227200000000, -0.0001702000000000, 0.0001011400000000 ] - [ -0.0000316600000000, -0.0003423200000000, 0.0002225400000000 ] - [ 0.0000551400000000, -0.0003490600000000, -0.0000111700000000 ] - [ 0.0001990500000000, 0.0003654100000000, 0.0003473300000000 ] - [ 0.0001351300000000, -0.0000425500000000, 0.0002118000000000 ] - [ -0.0000059000000000, -0.0000941500000000, -0.0001633200000000 ] - [ -0.0000148300000000, -0.0001242100000000, -0.0000514400000000 ] - [ 0.0001186500000000, -0.0017056600000000, 0.0013274300000000 ] - [ 0.0002713300000000, 0.0000648700000000, -0.0001632300000000 ] - [ 0.0002382200000000, -0.0000622600000000, -0.0006324200000000 ] - [ 0.0001217200000000, 0.0001648300000000, 0.0000160600000000 ] - [ 0.0005040800000000, -0.0008597700000000, -0.0040234900000000 ] - [ 0.0005469400000000, 0.0002643800000000, 0.0002055300000000 ] - [ -0.0126789900000000, -0.0045077400000000, 0.0284186300000000 ] - [ 0.0001743300000000, -0.0000341500000000, 0.0003299900000000 ] - [ 0.0003466200000000, -0.0018486900000000, -0.0085852300000000 ] - [ 0.0001193800000000, 0.0000359500000000, 0.0001847600000000 ] - [ -0.0005328700000000, -0.0001173100000000, -0.0006847800000000 ] - [ -0.0003311900000000, 0.0003513400000000, -0.0004281500000000 ] - [ 0.0005392000000000, 0.0001630800000000, -0.0008419000000000 ] - [ 0.0002091800000000, -0.0000615500000000, -0.0001964900000000 ] - [ -0.0022672500000000, 0.0038005000000000, 0.0015697600000000 ] - [ 0.0003963800000000, 0.0003524300000000, 0.0003654500000000 ] - [ 0.0006181300000000, -0.0002341700000000, 0.0003245500000000 ] - [ 0.0005550000000000, -0.0002671600000000, 0.0002661000000000 ] - [ -0.0001717900000000, -0.0000001200000000, -0.0004363100000000 ] - [ -0.0001439200000000, -0.0000137600000000, -0.0003876800000000 ] - [ 0.0002045500000000, 0.0000419200000000, 0.0000618800000000 ] - [ 0.0000981200000000, 0.0000271800000000, 0.0002995600000000 ] - [ -0.0006478900000000, 0.0004044600000000, -0.0000728700000000 ] - [ -0.0005274700000000, 0.0002986200000000, -0.0002398200000000 ] - [ 0.0007146700000000, 0.0012933100000000, -0.0002027500000000 ] - [ -0.0003339700000000, -0.0003526100000000, -0.0003175400000000 ] - [ -0.0005190300000000, 0.0002624600000000, -0.0002032200000000 ] - [ -0.0002475900000000, 0.0000451700000000, 0.0000285200000000 ] - [ 0.0005825400000000, -0.0005186800000000, -0.0001707500000000 ] - [ 0.0002571800000000, -0.0003542600000000, 0.0003685300000000 ] - [ -0.0010994100000000, -0.0002767100000000, -0.0005011900000000 ] - [ 0.0000121400000000, -0.0000687700000000, -0.0004140600000000 ] - [ 0.0029143100000000, 0.0002453900000000, 0.0016890100000000 ] - [ -0.0000288000000000, -0.0000432900000000, -0.0001390800000000 ] - [ -0.0000170300000000, -0.0003276600000000, -0.0012039300000000 ] - [ -0.0006589600000000, -0.0002810600000000, -0.0002520700000000 ] - [ -0.0002358900000000, -0.0001878600000000, -0.0001563900000000 ] - [ -0.0001237200000000, -0.0000310000000000, -0.0004386300000000 ] - [ 0.0001381700000000, -0.0004144900000000, 0.0003653700000000 ] - [ -0.0002279900000000, -0.0000230200000000, 0.0003705900000000 ] - [ -0.0000517000000000, 0.0001645300000000, 0.0000061200000000 ] - [ 0.0000935000000000, 0.0001841100000000, -0.0001136300000000 ] - [ -0.0000606200000000, 0.0000869200000000, -0.0002269300000000 ] - [ -0.0001984900000000, 0.0000724700000000, -0.0001305100000000 ] - [ -0.0000469000000000, 0.0003242900000000, 0.0000912600000000 ] - [ 0.0000070400000000, 0.0004275500000000, 0.0001261000000000 ] - [ -0.0000958000000000, 0.0002597000000000, 0.0000742000000000 ] - [ -0.0001838100000000, 0.0000532900000000, 0.0003622600000000 ] - [ 0.0002361000000000, -0.0001779700000000, -0.0000302200000000 ] - [ -0.0009493000000000, -0.0002219700000000, 0.0007390500000000 ] - [ -0.0000540400000000, -0.0003545100000000, -0.0001866400000000 ] - [ -0.0004793600000000, -0.0004102200000000, -0.0004082500000000 ] - [ 0.0009382300000000, -0.0014965900000000, 0.0000282300000000 ] - [ 0.0001033600000000, -0.0005394900000000, -0.0001470300000000 ] - [ -0.0014237200000000, 0.0023747100000000, -0.0006118600000000 ] - [ 0.0003217200000000, 0.0004932300000000, -0.0002061300000000 ] - [ 0.0019350900000000, 0.0013969700000000, -0.0034540600000000 ] - [ 0.0001512700000000, -0.0006635000000000, 0.0001451700000000 ] - [ 0.0002402200000000, -0.0027822100000000, -0.0001633100000000 ] - [ 0.0002407000000000, 0.0006666200000000, 0.0001850800000000 ] - [ -0.0005600900000000, -0.0011415300000000, -0.0002178700000000 ] - [ 0.0000920200000000, -0.0007919800000000, -0.0000661500000000 ] - [ 0.0001040100000000, 0.0008428000000000, -0.0011703100000000 ] - [ -0.0005428400000000, 0.0006305800000000, -0.0002158200000000 ] - [ -0.0005468700000000, -0.0006518100000000, 0.0006255800000000 ] - [ 0.0005633600000000, -0.0003801900000000, -0.0002823800000000 ] - [ -0.0001151500000000, 0.0004133700000000, 0.0000099500000000 ] - [ -0.0014505400000000, -0.0000610000000000, 0.0000080700000000 ] - [ -0.0002536300000000, 0.0006416400000000, 0.0002223100000000 ] - [ 0.0001255700000000, 0.0003442000000000, -0.0002171300000000 ] - [ -0.0013722700000000, -0.0004675000000000, 0.0002164400000000 ] - [ -0.0001532300000000, 0.0002362000000000, -0.0003943700000000 ] - [ -0.0003761500000000, 0.0003096000000000, -0.0000524900000000 ] - [ -0.0001892700000000, 0.0000258900000000, 0.0002720800000000 ] - [ -0.0007586400000000, 0.0013311600000000, -0.0046037800000000 ] - [ -0.0000619100000000, -0.0003656300000000, -0.0002506600000000 ] - [ -0.0005762900000000, 0.0014681400000000, 0.0010650900000000 ] - [ 0.0005714800000000, -0.0001853700000000, 0.0000651600000000 ] - [ 0.0013031900000000, 0.0017972300000000, 0.0001223100000000 ] - [ -0.0003370000000000, -0.0001935400000000, -0.0002919800000000 ] - [ 0.0006734000000000, -0.0012396200000000, 0.0019285500000000 ] - [ -0.0001946700000000, 0.0000113900000000, 0.0004174800000000 ] - [ 0.0034979800000000, 0.0038544900000000, -0.0080306700000000 ] - [ -0.0002540800000000, 0.0001996300000000, 0.0004610800000000 ] - [ 0.0006727200000000, -0.0008069500000000, -0.0000019800000000 ] - [ 0.0004834800000000, 0.0001552800000000, 0.0000738300000000 ] - [ 0.0004934300000000, -0.0010597500000000, 0.0013928100000000 ] - [ 0.0004801200000000, 0.0000001600000000, 0.0003365500000000 ] - [ 0.0002759400000000, 0.0006976500000000, -0.0015168200000000 ] - [ -0.0001493300000000, 0.0001342100000000, -0.0002411300000000 ] - [ -0.0005139800000000, 0.0004370900000000, 0.0009282900000000 ] - [ -0.0001961200000000, -0.0001767500000000, 0.0004560300000000 ] - [ 0.0019386800000000, -0.0015424000000000, -0.0040248800000000 ] - [ 0.0004221100000000, -0.0000173700000000, 0.0002378200000000 ] - [ 0.0003813800000000, 0.0004249200000000, 0.0012344200000000 ] - [ 0.0003108500000000, 0.0000935300000000, 0.0003664700000000 ] - [ -0.0012257000000000, -0.0001827300000000, 0.0024123700000000 ] - [ -0.0000251900000000, -0.0001318100000000, -0.0001700900000000 ] - [ 0.0010297800000000, 0.0009375200000000, -0.0018351900000000 ] - [ -0.0005863100000000, 0.0000295000000000, -0.0003110600000000 ] - [ 0.0004135200000000, 0.0002869200000000, -0.0005002200000000 ] - [ 0.0001105200000000, 0.0002028300000000, -0.0003206800000000 ] - [ 0.0001302200000000, 0.0000155500000000, -0.0003205100000000 ] - [ 0.0000687100000000, -0.0001276100000000, 0.0000816100000000 ] - [ -0.0006203200000000, -0.0001090400000000, 0.0001562200000000 ] - [ -0.0003164400000000, -0.0000674000000000, -0.0002547700000000 ] - [ -0.0000179900000000, -0.0002412600000000, -0.0002541000000000 ] - [ -0.0008255400000000, -0.0003706700000000, -0.0000130600000000 ] - [ -0.0007644200000000, -0.0006734300000000, 0.0002557200000000 ] - [ 0.0004468300000000, -0.0001531000000000, -0.0005898700000000 ] - [ 0.0006378100000000, -0.0000740400000000, -0.0003345500000000 ] - [ -0.0001036900000000, 0.0001188600000000, 0.0002786400000000 ] - [ 0.0005504100000000, 0.0003102100000000, 0.0003019800000000 ] - [ -0.0002981500000000, 0.0005475000000000, 0.0002780000000000 ] - [ -0.0007328000000000, 0.0002833000000000, 0.0001990400000000 ] - [ -0.0000420400000000, 0.0002487900000000, -0.0000146000000000 ] - [ -0.0003072500000000, 0.0006974400000000, -0.0003715900000000 ] - [ -0.0011193800000000, -0.0001670500000000, -0.0000655900000000 ] - [ 0.0000568600000000, 0.0000774900000000, -0.0002648500000000 ] - [ 0.0005232500000000, 0.0000488100000000, -0.0008371200000000 ] - [ 0.0000880400000000, -0.0003026500000000, 0.0005166200000000 ] - [ 0.0008241100000000, -0.0004300000000000, 0.0003299900000000 ] - [ -0.0000170400000000, -0.0003278700000000, 0.0004463400000000 ] - [ 0.0001878800000000, -0.0001150400000000, 0.0005994000000000 ]- atom: 23 displacement: [ 0.0099997439015081, 0.0000000000000000, 0.0000715674804079 ] forces: - [ 0.0005769800000000, 0.0012233600000000, -0.0001497900000000 ] - [ 0.0004474400000000, 0.0001230800000000, 0.0000571000000000 ] - [ 0.0003088300000000, 0.0009012900000000, 0.0004645500000000 ] - [ 0.0002760600000000, -0.0000026700000000, -0.0000349500000000 ] - [ 0.0000468100000000, -0.0001384000000000, 0.0001812800000000 ] - [ 0.0003348100000000, -0.0001452300000000, 0.0000823000000000 ] - [ -0.0001393600000000, -0.0006537600000000, 0.0001950300000000 ] - [ 0.0002366600000000, -0.0002636200000000, 0.0000423200000000 ] - [ -0.0003542900000000, -0.0010791200000000, 0.0004703500000000 ] - [ 0.0004300700000000, 0.0000646900000000, 0.0002328200000000 ] - [ 0.0001800900000000, -0.0004369000000000, -0.0003253300000000 ] - [ 0.0003571200000000, 0.0000583000000000, 0.0003201000000000 ] - [ -0.0013998900000000, 0.0003438300000000, 0.0028116400000000 ] - [ 0.0006297800000000, 0.0000525100000000, -0.0000978800000000 ] - [ 0.0001623800000000, 0.0000853100000000, -0.0000456500000000 ] - [ 0.0003707100000000, 0.0001914000000000, 0.0001752400000000 ] - [ -0.0018379100000000, 0.0061128500000000, 0.0003822200000000 ] - [ 0.0008996700000000, 0.0002957300000000, 0.0003364200000000 ] - [ -0.0004894900000000, 0.0000858400000000, 0.0003447900000000 ] - [ 0.0003876400000000, -0.0000702800000000, 0.0004145600000000 ] - [ -0.0000940700000000, 0.0002924900000000, -0.0000651700000000 ] - [ 0.0003777900000000, -0.0000657900000000, 0.0003386500000000 ] - [ -0.0379019500000000, -0.0149820500000000, -0.0027094400000000 ] - [ 0.0001272800000000, 0.0003546900000000, -0.0002951900000000 ] - [ 0.0040291200000000, 0.0007363700000000, -0.0049940500000000 ] - [ 0.0007494500000000, -0.0000709600000000, 0.0000097600000000 ] - [ -0.0001984600000000, 0.0004630600000000, 0.0002966000000000 ] - [ 0.0006279000000000, 0.0003264900000000, 0.0004536100000000 ] - [ 0.0000058500000000, -0.0002045000000000, -0.0002352700000000 ] - [ 0.0008766600000000, -0.0003127300000000, 0.0004074800000000 ] - [ -0.0008496100000000, 0.0045194300000000, 0.0021481800000000 ] - [ 0.0002083100000000, -0.0000459200000000, -0.0002911600000000 ] - [ -0.0001000900000000, -0.0020112600000000, -0.0008414300000000 ] - [ 0.0004490900000000, 0.0001187700000000, 0.0004355200000000 ] - [ -0.0011547000000000, 0.0011956600000000, -0.0009476000000000 ] - [ -0.0002100500000000, 0.0001886500000000, -0.0001146300000000 ] - [ -0.0009622200000000, -0.0003319500000000, -0.0010476700000000 ] - [ 0.0000539200000000, -0.0003356500000000, -0.0001919900000000 ] - [ -0.0006305600000000, 0.0002191600000000, 0.0001165700000000 ] - [ 0.0000377400000000, 0.0000469200000000, 0.0002122100000000 ] - [ -0.0001573100000000, -0.0004047100000000, 0.0001811500000000 ] - [ 0.0006086700000000, -0.0003290500000000, 0.0004648500000000 ] - [ 0.0015617200000000, -0.0029968900000000, -0.0007375400000000 ] - [ 0.0002277300000000, 0.0000624200000000, -0.0001627600000000 ] - [ -0.0002401700000000, -0.0002190700000000, -0.0006254600000000 ] - [ 0.0001489400000000, 0.0000695700000000, -0.0001640200000000 ] - [ -0.0011764800000000, -0.0003431700000000, -0.0006338900000000 ] - [ -0.0002770700000000, -0.0002193900000000, -0.0001363200000000 ] - [ 0.0045662700000000, -0.0004810700000000, 0.0020614800000000 ] - [ 0.0005267800000000, -0.0000546300000000, -0.0002554600000000 ] - [ -0.0004742000000000, -0.0000562900000000, 0.0000156100000000 ] - [ -0.0000090000000000, -0.0000850800000000, 0.0003063500000000 ] - [ 0.0005048400000000, 0.0007546400000000, 0.0000194000000000 ] - [ 0.0003647500000000, -0.0002340500000000, 0.0000783200000000 ] - [ -0.0003244400000000, 0.0000956200000000, -0.0001105700000000 ] - [ 0.0001059400000000, 0.0000320400000000, -0.0000382800000000 ] - [ 0.0001763200000000, 0.0005826400000000, -0.0001780400000000 ] - [ 0.0002020500000000, 0.0000666600000000, 0.0002173100000000 ] - [ 0.0000067800000000, 0.0001043000000000, -0.0002478600000000 ] - [ 0.0001676200000000, 0.0002560500000000, 0.0004364300000000 ] - [ 0.0000406100000000, -0.0002453000000000, 0.0000525200000000 ] - [ 0.0001315400000000, -0.0000007200000000, 0.0001383800000000 ] - [ 0.0000855500000000, -0.0007968300000000, 0.0002821400000000 ] - [ 0.0001681400000000, -0.0002243800000000, -0.0000184900000000 ] - [ 0.0060710700000000, -0.0011768700000000, 0.0021766900000000 ] - [ 0.0015303200000000, -0.0003749000000000, -0.0001099200000000 ] - [ 0.0005361100000000, 0.0002851500000000, -0.0003970000000000 ] - [ 0.0007772700000000, 0.0005174400000000, 0.0003901500000000 ] - [ -0.0001151200000000, -0.0002732000000000, 0.0000359300000000 ] - [ 0.0006828000000000, -0.0006751000000000, 0.0002889800000000 ] - [ -0.0000726000000000, 0.0004605100000000, -0.0001901700000000 ] - [ 0.0005812300000000, 0.0007000800000000, 0.0003883800000000 ] - [ 0.0053720600000000, -0.0000670600000000, -0.0065108300000000 ] - [ 0.0009258200000000, -0.0007724700000000, 0.0002735600000000 ] - [ -0.0017843900000000, 0.0006383300000000, 0.0038032800000000 ] - [ 0.0003737200000000, 0.0006132400000000, 0.0000139500000000 ] - [ 0.0000772000000000, -0.0006542500000000, 0.0000401200000000 ] - [ -0.0001309400000000, -0.0003965800000000, 0.0002052800000000 ] - [ -0.0002023000000000, 0.0008727100000000, 0.0005304200000000 ] - [ -0.0002208800000000, 0.0002732700000000, 0.0001359800000000 ] - [ -0.0027780000000000, 0.0020346900000000, 0.0002964000000000 ] - [ -0.0009838900000000, 0.0000179800000000, -0.0003435600000000 ] - [ -0.0001515500000000, 0.0003572800000000, -0.0002796400000000 ] - [ -0.0007699700000000, 0.0001548700000000, -0.0003997100000000 ] - [ -0.0013963000000000, 0.0014045900000000, -0.0018867600000000 ] - [ -0.0008247400000000, -0.0001689400000000, 0.0005054400000000 ] - [ 0.0001932800000000, -0.0006553500000000, -0.0004683600000000 ] - [ -0.0002606700000000, -0.0001965900000000, -0.0005181600000000 ] - [ 0.0063439700000000, 0.0009697200000000, 0.0008606700000000 ] - [ -0.0002996700000000, 0.0000583000000000, -0.0000689800000000 ] - [ -0.0000795000000000, -0.0002262500000000, -0.0001853900000000 ] - [ -0.0006135100000000, -0.0002414600000000, -0.0005456800000000 ] - [ -0.0008739300000000, -0.0005041800000000, 0.0009128300000000 ] - [ -0.0007949300000000, 0.0003101300000000, -0.0002460200000000 ] - [ 0.0002241300000000, -0.0004702000000000, 0.0001444600000000 ] - [ -0.0006190300000000, 0.0001918500000000, 0.0004018500000000 ] - [ 0.0008287300000000, 0.0003552100000000, 0.0005178900000000 ] - [ -0.0000235700000000, 0.0000333200000000, -0.0002477300000000 ] - [ 0.0015022400000000, -0.0000626000000000, 0.0004803000000000 ] - [ -0.0000368400000000, 0.0000606100000000, 0.0001621500000000 ] - [ 0.0006294400000000, 0.0001645100000000, 0.0000606800000000 ] - [ -0.0004955300000000, 0.0001217500000000, -0.0003713200000000 ] - [ 0.0000413400000000, 0.0001150900000000, 0.0010480300000000 ] - [ -0.0005926700000000, -0.0002360200000000, 0.0002538500000000 ] - [ 0.0010149600000000, 0.0001503600000000, 0.0005854600000000 ] - [ 0.0000245000000000, -0.0000666100000000, 0.0000848400000000 ] - [ 0.0053199500000000, -0.0010126800000000, 0.0019376500000000 ] - [ -0.0004143900000000, 0.0000711600000000, 0.0001189700000000 ] - [ 0.0002599500000000, -0.0007364000000000, 0.0001701700000000 ] - [ -0.0005471300000000, -0.0000771500000000, -0.0003355900000000 ] - [ 0.0009247700000000, 0.0020257700000000, 0.0033358900000000 ] - [ -0.0012011700000000, -0.0001830300000000, -0.0005641400000000 ] - [ 0.0123054100000000, 0.0054922100000000, -0.0040549800000000 ] - [ -0.0005323800000000, 0.0002904000000000, -0.0005635700000000 ] - [ -0.0001686400000000, -0.0005858200000000, 0.0018853300000000 ] - [ -0.0005158500000000, -0.0000451800000000, -0.0001489100000000 ] - [ 0.0039214000000000, -0.0003445900000000, 0.0000016400000000 ] - [ -0.0010249900000000, 0.0000833400000000, -0.0004854100000000 ] - [ -0.0004330100000000, -0.0005442100000000, 0.0001393300000000 ] - [ -0.0008982200000000, -0.0000532300000000, -0.0002331200000000 ] - [ 0.0007729100000000, -0.0001616600000000, -0.0006977100000000 ] - [ -0.0001938700000000, -0.0002512300000000, -0.0006462400000000 ] - [ -0.0000575600000000, 0.0006159900000000, -0.0004303200000000 ] - [ -0.0001125100000000, -0.0002314400000000, -0.0003773700000000 ] - [ -0.0014409500000000, 0.0003079600000000, 0.0009199800000000 ] - [ -0.0015152100000000, 0.0000338400000000, -0.0003414200000000 ] - [ -0.0001702400000000, 0.0001685200000000, -0.0001039600000000 ] - [ -0.0007995400000000, 0.0002075100000000, -0.0001535500000000 ] - [ -0.0002420600000000, 0.0005450400000000, 0.0003845700000000 ] - [ -0.0003666800000000, 0.0000696100000000, 0.0000670600000000 ] - [ 0.0002077500000000, -0.0001581000000000, -0.0003854500000000 ] - [ 0.0001017100000000, 0.0001839400000000, -0.0005014600000000 ] - [ 0.0003527700000000, -0.0002096900000000, -0.0005264600000000 ] - [ -0.0002277300000000, -0.0001957200000000, 0.0002291300000000 ] - [ -0.0003926200000000, -0.0010126800000000, -0.0002777200000000 ] - [ -0.0003225700000000, -0.0001172800000000, 0.0003219200000000 ]- atom: 23 displacement: [ -0.0099997439015081, 0.0000000000000000, -0.0000715674804079 ] forces: - [ -0.0004896400000000, -0.0005142300000000, 0.0001136000000000 ] - [ -0.0003622200000000, 0.0005811500000000, -0.0000933700000000 ] - [ -0.0003200400000000, -0.0006225200000000, -0.0005001200000000 ] - [ -0.0002875400000000, 0.0002770000000000, -0.0000016800000000 ] - [ 0.0002827100000000, -0.0001521300000000, -0.0000355600000000 ] - [ -0.0000029800000000, -0.0001446400000000, 0.0000646500000000 ] - [ 0.0002223000000000, -0.0000503100000000, -0.0002297600000000 ] - [ -0.0001498200000000, -0.0004390400000000, -0.0000773300000000 ] - [ 0.0006206800000000, 0.0009941800000000, -0.0000586300000000 ] - [ -0.0001569100000000, -0.0001448400000000, 0.0001801200000000 ] - [ -0.0001923500000000, 0.0001611500000000, 0.0002848700000000 ] - [ -0.0003679200000000, -0.0003342100000000, -0.0003593000000000 ] - [ 0.0018810900000000, -0.0002225400000000, -0.0031675100000000 ] - [ -0.0001255500000000, 0.0000679000000000, -0.0002559800000000 ] - [ 0.0001669700000000, 0.0002039200000000, 0.0001909100000000 ] - [ -0.0000381200000000, 0.0000985700000000, -0.0000294400000000 ] - [ 0.0029114300000000, -0.0055980300000000, 0.0000943200000000 ] - [ 0.0002269600000000, 0.0002556400000000, 0.0001504000000000 ] - [ 0.0007446100000000, -0.0001338900000000, 0.0002866000000000 ] - [ -0.0001291300000000, 0.0000213200000000, 0.0002186800000000 ] - [ 0.0003637300000000, -0.0002112400000000, 0.0004764900000000 ] - [ -0.0001039400000000, 0.0001458500000000, 0.0000738200000000 ] - [ 0.0374875400000000, 0.0157794300000000, 0.0017160500000000 ] - [ -0.0007610300000000, 0.0003338700000000, -0.0004398200000000 ] - [ -0.0034984700000000, -0.0008485600000000, 0.0045781400000000 ] - [ -0.0002470200000000, -0.0000491900000000, -0.0003652200000000 ] - [ 0.0008322400000000, 0.0002255900000000, 0.0004380200000000 ] - [ 0.0000081000000000, 0.0003618700000000, 0.0002821500000000 ] - [ 0.0011153700000000, -0.0003449400000000, 0.0007217500000000 ] - [ 0.0002501900000000, -0.0002385000000000, 0.0000792700000000 ] - [ 0.0006284100000000, -0.0045580400000000, -0.0027798800000000 ] - [ -0.0004643000000000, -0.0000033900000000, -0.0003415300000000 ] - [ 0.0003467700000000, 0.0020512400000000, 0.0014670800000000 ] - [ -0.0001908500000000, -0.0000702700000000, 0.0001971500000000 ] - [ 0.0000292700000000, -0.0006412100000000, 0.0004577600000000 ] - [ -0.0009141200000000, 0.0003615800000000, -0.0003710400000000 ] - [ 0.0003214400000000, -0.0003571000000000, 0.0003141700000000 ] - [ -0.0006875500000000, -0.0003527800000000, -0.0005429000000000 ] - [ 0.0001275500000000, -0.0000990200000000, 0.0002370700000000 ] - [ -0.0005399200000000, 0.0000729900000000, 0.0001426000000000 ] - [ 0.0007901200000000, -0.0002844700000000, 0.0005538900000000 ] - [ 0.0000270300000000, -0.0003596200000000, 0.0002705900000000 ] - [ -0.0018372100000000, 0.0029416700000000, 0.0003277200000000 ] - [ -0.0004991600000000, -0.0001415000000000, -0.0002491700000000 ] - [ -0.0000175200000000, 0.0002672400000000, -0.0000045800000000 ] - [ -0.0004054400000000, -0.0000201300000000, -0.0004681700000000 ] - [ 0.0000461900000000, -0.0002139600000000, 0.0001489700000000 ] - [ -0.0008477600000000, -0.0003308100000000, -0.0003499700000000 ] - [ -0.0049456300000000, 0.0001959400000000, -0.0022368700000000 ] - [ -0.0008536500000000, -0.0002340600000000, 0.0001084300000000 ] - [ -0.0000295700000000, -0.0000638000000000, 0.0003397400000000 ] - [ -0.0004932700000000, -0.0000355100000000, 0.0000488800000000 ] - [ -0.0004927100000000, -0.0004846000000000, 0.0000196900000000 ] - [ -0.0003510100000000, 0.0005045800000000, -0.0000400100000000 ] - [ 0.0000547500000000, -0.0000120100000000, -0.0002980900000000 ] - [ -0.0003771400000000, 0.0000475800000000, -0.0003731800000000 ] - [ -0.0002586900000000, 0.0001204800000000, 0.0002138200000000 ] - [ -0.0002859000000000, 0.0006336400000000, -0.0001802700000000 ] - [ -0.0003355000000000, 0.0001859500000000, 0.0001056300000000 ] - [ -0.0004970400000000, 0.0000351900000000, -0.0005800900000000 ] - [ -0.0000270300000000, -0.0000292600000000, -0.0000120500000000 ] - [ -0.0001195200000000, -0.0002720100000000, -0.0001003100000000 ] - [ -0.0001670000000000, 0.0000940500000000, -0.0002475900000000 ] - [ -0.0002528300000000, -0.0004768200000000, 0.0000540200000000 ] - [ -0.0055308400000000, 0.0001721700000000, -0.0024354700000000 ] - [ -0.0010749000000000, -0.0006449900000000, -0.0001824600000000 ] - [ -0.0000771500000000, 0.0007310500000000, 0.0001004100000000 ] - [ -0.0003127400000000, 0.0004988600000000, -0.0006854800000000 ] - [ 0.0005165800000000, -0.0010404300000000, 0.0002872300000000 ] - [ -0.0002747200000000, -0.0006371900000000, 0.0000375900000000 ] - [ 0.0004758100000000, 0.0008510400000000, 0.0005149600000000 ] - [ -0.0001721000000000, 0.0006115700000000, -0.0000619700000000 ] - [ -0.0058310700000000, -0.0012801400000000, 0.0062627700000000 ] - [ -0.0013274400000000, -0.0005398200000000, -0.0005972000000000 ] - [ 0.0014175000000000, 0.0006772400000000, -0.0040964300000000 ] - [ -0.0007776800000000, 0.0006989800000000, -0.0003396900000000 ] - [ -0.0005335500000000, -0.0003617000000000, 0.0002548600000000 ] - [ -0.0003292500000000, -0.0006204000000000, 0.0000885200000000 ] - [ -0.0002539000000000, 0.0001449400000000, -0.0002351700000000 ] - [ -0.0002391900000000, 0.0007414600000000, 0.0001572100000000 ] - [ 0.0028496200000000, -0.0013437500000000, -0.0007827400000000 ] - [ 0.0010879600000000, 0.0006602200000000, -0.0001511300000000 ] - [ -0.0003856800000000, 0.0000656100000000, -0.0003598800000000 ] - [ 0.0002268900000000, 0.0002653100000000, -0.0002418700000000 ] - [ 0.0009575700000000, -0.0013463000000000, 0.0025170400000000 ] - [ 0.0003933500000000, 0.0002175800000000, 0.0001435600000000 ] - [ -0.0000903400000000, -0.0000194000000000, -0.0000243100000000 ] - [ 0.0003589500000000, -0.0004777800000000, 0.0000251900000000 ] - [ -0.0049343900000000, -0.0011608400000000, -0.0006046300000000 ] - [ 0.0013118500000000, -0.0003950500000000, 0.0002044700000000 ] - [ -0.0004583500000000, -0.0001942700000000, -0.0004544900000000 ] - [ 0.0000688300000000, -0.0001788700000000, -0.0000967900000000 ] - [ 0.0004398600000000, 0.0004528200000000, -0.0002577500000000 ] - [ 0.0003609800000000, -0.0003612900000000, 0.0009024400000000 ] - [ -0.0006705200000000, 0.0008204500000000, 0.0007829900000000 ] - [ 0.0001672500000000, 0.0001559800000000, 0.0005211400000000 ] - [ 0.0001866400000000, -0.0000174200000000, -0.0003771100000000 ] - [ 0.0010321000000000, 0.0003022400000000, 0.0003837300000000 ] - [ -0.0005786900000000, 0.0000762300000000, 0.0001048000000000 ] - [ 0.0009536300000000, -0.0000446500000000, 0.0004202000000000 ] - [ -0.0008422000000000, 0.0001099600000000, -0.0004847200000000 ] - [ 0.0002765000000000, 0.0001521100000000, -0.0000541200000000 ] - [ -0.0004882000000000, -0.0004625900000000, -0.0001226000000000 ] - [ 0.0001401600000000, -0.0001109400000000, 0.0006700900000000 ] - [ -0.0000932500000000, -0.0001643600000000, -0.0000019700000000 ] - [ 0.0008919100000000, 0.0000510500000000, 0.0004973600000000 ] - [ -0.0051663000000000, 0.0014003600000000, -0.0016177100000000 ] - [ 0.0006292100000000, 0.0002022900000000, 0.0003063300000000 ] - [ -0.0004701700000000, 0.0004639900000000, -0.0005934600000000 ] - [ 0.0003289600000000, -0.0001971400000000, -0.0000893300000000 ] - [ -0.0018706500000000, -0.0020189000000000, -0.0039162200000000 ] - [ 0.0002801300000000, 0.0001967700000000, -0.0000198900000000 ] - [ -0.0123498700000000, -0.0055036700000000, 0.0033764500000000 ] - [ 0.0009796400000000, 0.0000578600000000, -0.0003611800000000 ] - [ 0.0003873600000000, 0.0003145500000000, -0.0014604500000000 ] - [ 0.0007299100000000, -0.0002284300000000, 0.0005718800000000 ] - [ -0.0048283100000000, 0.0003228400000000, -0.0006119700000000 ] - [ 0.0001050400000000, -0.0000982800000000, -0.0000980100000000 ] - [ -0.0005809300000000, 0.0002048700000000, -0.0002757000000000 ] - [ -0.0001144400000000, -0.0002808200000000, 0.0000962300000000 ] - [ -0.0003201900000000, -0.0001805500000000, -0.0002415700000000 ] - [ 0.0006428900000000, -0.0000977100000000, -0.0002780500000000 ] - [ 0.0004871800000000, -0.0005713700000000, -0.0002185800000000 ] - [ 0.0005432500000000, 0.0002772100000000, -0.0002743200000000 ] - [ 0.0019883500000000, 0.0001168900000000, -0.0002888400000000 ] - [ 0.0020521700000000, 0.0003807700000000, 0.0009801200000000 ] - [ -0.0008420100000000, 0.0001701000000000, -0.0000334800000000 ] - [ -0.0002136000000000, 0.0001298100000000, 0.0000170800000000 ] - [ 0.0001396400000000, 0.0001273800000000, 0.0001074000000000 ] - [ 0.0002653300000000, 0.0006027000000000, 0.0004255200000000 ] - [ 0.0002204300000000, 0.0001087300000000, -0.0002676800000000 ] - [ 0.0003293700000000, -0.0002290700000000, -0.0001512100000000 ] - [ 0.0001732700000000, -0.0002137900000000, 0.0011674600000000 ] - [ 0.0007671300000000, -0.0002253900000000, 0.0004119000000000 ] - [ 0.0002864100000000, 0.0003368200000000, 0.0007686300000000 ] - [ 0.0002206200000000, -0.0005539100000000, 0.0001724200000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007937600000000, 0.0005691900000000, -0.0001025200000000 ] - [ -0.0001722800000000, 0.0003394100000000, -0.0000245400000000 ] - [ 0.0005355600000000, 0.0003211800000000, 0.0004070400000000 ] - [ -0.0000892800000000, 0.0001075400000000, -0.0000226600000000 ] - [ 0.0001521100000000, 0.0000869100000000, 0.0001460300000000 ] - [ 0.0001658300000000, -0.0000820900000000, 0.0000945900000000 ] - [ -0.0000318700000000, -0.0003818000000000, -0.0002105600000000 ] - [ 0.0000878800000000, -0.0004137600000000, 0.0000177700000000 ] - [ -0.0006862000000000, 0.0011446100000000, -0.0004547500000000 ] - [ 0.0001832200000000, -0.0000166900000000, 0.0002079900000000 ] - [ -0.0001363600000000, -0.0002020500000000, 0.0000489400000000 ] - [ 0.0002246000000000, -0.0002880500000000, 0.0001485100000000 ] - [ 0.0002791700000000, -0.0016707500000000, 0.0000451300000000 ] - [ 0.0002535100000000, 0.0000341800000000, -0.0001943900000000 ] - [ 0.0001601500000000, 0.0003528300000000, 0.0000157500000000 ] - [ 0.0002446000000000, 0.0003281600000000, 0.0000161700000000 ] - [ 0.0059974600000000, 0.0174476000000000, 0.0016098600000000 ] - [ 0.0005580000000000, 0.0002691200000000, 0.0002471100000000 ] - [ 0.0001270500000000, 0.0001760300000000, 0.0007996900000000 ] - [ 0.0001221000000000, -0.0000042000000000, 0.0003067300000000 ] - [ 0.0002658200000000, 0.0001713700000000, 0.0000929300000000 ] - [ 0.0000717600000000, 0.0001166100000000, 0.0001577500000000 ] - [ -0.0155879900000000, -0.0410195300000000, 0.0027627300000000 ] - [ -0.0003071000000000, 0.0003240400000000, -0.0003637100000000 ] - [ 0.0009862500000000, -0.0015212300000000, -0.0007895200000000 ] - [ 0.0002408000000000, -0.0001164700000000, -0.0001521700000000 ] - [ 0.0001979000000000, 0.0008142300000000, 0.0003888600000000 ] - [ 0.0003350700000000, 0.0003646900000000, 0.0003770000000000 ] - [ 0.0005313700000000, -0.0003814400000000, 0.0001484000000000 ] - [ 0.0005774600000000, -0.0002952500000000, 0.0002561700000000 ] - [ 0.0040760300000000, 0.0072428800000000, 0.0046317600000000 ] - [ -0.0001438000000000, -0.0000283500000000, -0.0003129200000000 ] - [ -0.0013321900000000, 0.0014211800000000, 0.0015616900000000 ] - [ 0.0001875900000000, 0.0000324300000000, 0.0003264600000000 ] - [ 0.0000977600000000, 0.0016031500000000, -0.0014924600000000 ] - [ -0.0005747000000000, 0.0002850900000000, -0.0002444200000000 ] - [ -0.0003299600000000, -0.0005558200000000, -0.0003373300000000 ] - [ -0.0003259900000000, -0.0003681000000000, -0.0003758700000000 ] - [ -0.0002000300000000, 0.0007926800000000, 0.0001079500000000 ] - [ -0.0002338600000000, 0.0000937800000000, 0.0001724300000000 ] - [ 0.0002568200000000, 0.0001114900000000, 0.0004592300000000 ] - [ 0.0003325700000000, -0.0003215200000000, 0.0003655000000000 ] - [ -0.0027332100000000, 0.0013256000000000, 0.0004829000000000 ] - [ -0.0000488500000000, -0.0000760100000000, -0.0001859600000000 ] - [ -0.0002652000000000, 0.0001651100000000, -0.0001747200000000 ] - [ -0.0000931100000000, 0.0000112800000000, -0.0002944700000000 ] - [ -0.0005736200000000, 0.0005307800000000, -0.0010561400000000 ] - [ -0.0005536700000000, -0.0002634300000000, -0.0002390900000000 ] - [ -0.0002780600000000, -0.0014832400000000, 0.0002493200000000 ] - [ -0.0001239600000000, -0.0002756900000000, -0.0000375500000000 ] - [ -0.0002475700000000, 0.0000962200000000, 0.0001387900000000 ] - [ -0.0002414600000000, -0.0000220000000000, 0.0001922500000000 ] - [ 0.0006122700000000, 0.0004349800000000, -0.0000435300000000 ] - [ -0.0001405800000000, 0.0002493500000000, -0.0000058400000000 ] - [ -0.0000351900000000, -0.0000410300000000, 0.0002649800000000 ] - [ -0.0001620500000000, 0.0000134200000000, -0.0002440600000000 ] - [ 0.0001586400000000, 0.0004041300000000, -0.0000695000000000 ] - [ -0.0001685100000000, 0.0004379800000000, -0.0000338200000000 ] - [ -0.0001908100000000, -0.0000003400000000, -0.0001419500000000 ] - [ -0.0001155100000000, 0.0000093300000000, -0.0000725200000000 ] - [ -0.0000950500000000, -0.0000292300000000, -0.0001192600000000 ] - [ 0.0000692100000000, -0.0000911500000000, 0.0000835100000000 ] - [ -0.0004751800000000, 0.0001424200000000, -0.0002759300000000 ] - [ 0.0000407100000000, -0.0003206400000000, 0.0000021400000000 ] - [ 0.0003611700000000, -0.0028047700000000, 0.0000001400000000 ] - [ 0.0002958000000000, -0.0006734800000000, -0.0002257000000000 ] - [ 0.0003006400000000, 0.0002293800000000, -0.0001701300000000 ] - [ 0.0001010400000000, 0.0003872800000000, -0.0002998600000000 ] - [ -0.0000495200000000, 0.0013003800000000, -0.0001008400000000 ] - [ 0.0002188700000000, -0.0005923700000000, 0.0001802000000000 ] - [ 0.0001953600000000, 0.0011930700000000, 0.0001217300000000 ] - [ 0.0002725700000000, 0.0007036600000000, 0.0002216300000000 ] - [ 0.0010879700000000, -0.0037148200000000, -0.0022399000000000 ] - [ -0.0001804000000000, -0.0007661300000000, -0.0001402800000000 ] - [ -0.0005499800000000, -0.0020699400000000, -0.0039909200000000 ] - [ -0.0001679800000000, 0.0006137300000000, -0.0001492700000000 ] - [ -0.0001838900000000, 0.0000846800000000, 0.0003911600000000 ] - [ -0.0002204900000000, -0.0003106900000000, 0.0001463100000000 ] - [ -0.0004392900000000, 0.0012082300000000, 0.0007045800000000 ] - [ -0.0002410600000000, 0.0005970100000000, 0.0001320100000000 ] - [ 0.0010478000000000, 0.0013103200000000, -0.0001532500000000 ] - [ -0.0001568500000000, 0.0005579800000000, -0.0002604400000000 ] - [ -0.0002613100000000, -0.0003987800000000, -0.0003193000000000 ] - [ -0.0002798500000000, 0.0000017800000000, -0.0003430800000000 ] - [ 0.0007054900000000, 0.0009266400000000, 0.0007107100000000 ] - [ -0.0002710100000000, 0.0001217900000000, 0.0003493900000000 ] - [ -0.0000374800000000, -0.0001283800000000, -0.0004120600000000 ] - [ 0.0001082000000000, -0.0002967200000000, -0.0001686600000000 ] - [ 0.0016845600000000, 0.0031037800000000, 0.0000068500000000 ] - [ 0.0004818700000000, -0.0000480400000000, 0.0000525100000000 ] - [ -0.0002060200000000, -0.0004321000000000, -0.0002863300000000 ] - [ -0.0003638400000000, -0.0004659800000000, -0.0004516100000000 ] - [ -0.0004336200000000, 0.0001240400000000, 0.0004710700000000 ] - [ 0.0000359800000000, 0.0001442100000000, 0.0004436300000000 ] - [ -0.0007234000000000, -0.0018034300000000, -0.0002966200000000 ] - [ -0.0002297600000000, 0.0001326100000000, 0.0004652300000000 ] - [ 0.0004988100000000, 0.0004874000000000, 0.0001039900000000 ] - [ 0.0005634200000000, 0.0003252000000000, 0.0000696700000000 ] - [ 0.0011850200000000, -0.0020583600000000, 0.0005341100000000 ] - [ 0.0004421000000000, -0.0000403100000000, 0.0002915800000000 ] - [ 0.0000104400000000, -0.0003271900000000, 0.0001489300000000 ] - [ -0.0001372700000000, 0.0001167800000000, -0.0002366100000000 ] - [ -0.0000444500000000, -0.0005988300000000, 0.0001405400000000 ] - [ -0.0003054500000000, -0.0002203600000000, 0.0004126100000000 ] - [ 0.0003996700000000, -0.0004657500000000, 0.0002727300000000 ] - [ 0.0004215000000000, -0.0000759700000000, 0.0002805100000000 ] - [ -0.0014779700000000, 0.0062528800000000, -0.0024815100000000 ] - [ 0.0000770800000000, 0.0001819200000000, 0.0002068000000000 ] - [ -0.0007496800000000, -0.0018412300000000, 0.0000929200000000 ] - [ -0.0000811600000000, -0.0002181600000000, -0.0002168300000000 ] - [ 0.0006255900000000, 0.0025388700000000, -0.0011635700000000 ] - [ -0.0004788200000000, 0.0000588000000000, -0.0003006200000000 ] - [ 0.0068635300000000, 0.0067624000000000, -0.0029198400000000 ] - [ 0.0002486100000000, 0.0002392500000000, -0.0004328400000000 ] - [ -0.0001955900000000, 0.0005829600000000, 0.0008605500000000 ] - [ 0.0001628300000000, -0.0000669100000000, 0.0002062800000000 ] - [ -0.0005708200000000, 0.0040159400000000, 0.0008775800000000 ] - [ -0.0004784500000000, 0.0000435500000000, -0.0003002400000000 ] - [ -0.0008079700000000, -0.0008235500000000, -0.0000514900000000 ] - [ -0.0005185700000000, -0.0003216100000000, -0.0000770200000000 ] - [ 0.0001121400000000, 0.0002959000000000, 0.0003358400000000 ] - [ 0.0002082700000000, -0.0001363300000000, -0.0004691700000000 ] - [ 0.0005553400000000, -0.0007553100000000, -0.0003814300000000 ] - [ 0.0000779400000000, -0.0001460100000000, -0.0003842800000000 ] - [ 0.0000207000000000, 0.0011380100000000, 0.0005052400000000 ] - [ 0.0000252400000000, 0.0006357900000000, 0.0002050300000000 ] - [ -0.0002627400000000, -0.0005194100000000, -0.0000270700000000 ] - [ -0.0005089700000000, 0.0000853900000000, -0.0000649400000000 ] - [ 0.0000511800000000, 0.0000298200000000, 0.0002260200000000 ] - [ -0.0002082300000000, 0.0001635300000000, 0.0002088800000000 ] - [ 0.0002191400000000, -0.0001971100000000, -0.0004982100000000 ] - [ 0.0002476000000000, -0.0001293100000000, -0.0002827200000000 ] - [ 0.0004673400000000, 0.0006512300000000, 0.0007027200000000 ] - [ 0.0001913900000000, -0.0000841200000000, 0.0003068300000000 ] - [ -0.0009644700000000, -0.0014952300000000, -0.0006001300000000 ] - [ -0.0000156200000000, -0.0004206000000000, 0.0002483300000000 ]- atom: 23 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007048900000000, 0.0001303900000000, 0.0000661900000000 ] - [ 0.0002564700000000, 0.0003619800000000, -0.0000116300000000 ] - [ -0.0005455200000000, -0.0000504400000000, -0.0004435700000000 ] - [ 0.0000769100000000, 0.0001649800000000, -0.0000152000000000 ] - [ 0.0001797100000000, -0.0003770200000000, 0.0000016600000000 ] - [ 0.0001643400000000, -0.0002079200000000, 0.0000512700000000 ] - [ 0.0001171600000000, -0.0003181700000000, 0.0001752500000000 ] - [ -0.0000029400000000, -0.0002880300000000, -0.0000537600000000 ] - [ 0.0009670600000000, -0.0012271000000000, 0.0008732900000000 ] - [ 0.0000887200000000, -0.0000628400000000, 0.0002042000000000 ] - [ 0.0001238800000000, -0.0000693300000000, -0.0000868400000000 ] - [ -0.0002374300000000, 0.0000159600000000, -0.0001869700000000 ] - [ 0.0002163500000000, 0.0017872000000000, -0.0004277400000000 ] - [ 0.0002495200000000, 0.0000861600000000, -0.0001604400000000 ] - [ 0.0001724500000000, -0.0000626200000000, 0.0001295600000000 ] - [ 0.0000850900000000, -0.0000384700000000, 0.0001294400000000 ] - [ -0.0047212900000000, -0.0164245600000000, -0.0011001900000000 ] - [ 0.0005676300000000, 0.0002812800000000, 0.0002393400000000 ] - [ 0.0001300800000000, -0.0002271500000000, -0.0001642800000000 ] - [ 0.0001351200000000, -0.0000451300000000, 0.0003258000000000 ] - [ 0.0000073900000000, -0.0000930800000000, 0.0003186900000000 ] - [ 0.0002002900000000, -0.0000371000000000, 0.0002543800000000 ] - [ 0.0152135100000000, 0.0412233200000000, -0.0033309000000000 ] - [ -0.0003279200000000, 0.0003644100000000, -0.0003715300000000 ] - [ -0.0005045200000000, 0.0013912000000000, 0.0004515100000000 ] - [ 0.0002623200000000, -0.0000038900000000, -0.0002026300000000 ] - [ 0.0004356800000000, -0.0001261500000000, 0.0003485500000000 ] - [ 0.0002999400000000, 0.0003238500000000, 0.0003582800000000 ] - [ 0.0005940400000000, -0.0001663800000000, 0.0003390000000000 ] - [ 0.0005479800000000, -0.0002552200000000, 0.0002299900000000 ] - [ -0.0044084500000000, -0.0074007600000000, -0.0053541300000000 ] - [ -0.0001135500000000, -0.0000203500000000, -0.0003195900000000 ] - [ 0.0016014600000000, -0.0013724200000000, -0.0009381700000000 ] - [ 0.0000693300000000, 0.0000168300000000, 0.0003060800000000 ] - [ -0.0012310600000000, -0.0010581800000000, 0.0010171600000000 ] - [ -0.0005510700000000, 0.0002661600000000, -0.0002420400000000 ] - [ -0.0003044300000000, -0.0001330600000000, -0.0003974800000000 ] - [ -0.0003090500000000, -0.0003205400000000, -0.0003595200000000 ] - [ -0.0003054200000000, -0.0006739200000000, 0.0002462000000000 ] - [ -0.0002689000000000, 0.0000264400000000, 0.0001823300000000 ] - [ 0.0003784000000000, -0.0008004200000000, 0.0002734700000000 ] - [ 0.0003020800000000, -0.0003671500000000, 0.0003697400000000 ] - [ 0.0024428600000000, -0.0014044600000000, -0.0008884700000000 ] - [ -0.0002235200000000, -0.0000051300000000, -0.0002259900000000 ] - [ 0.0000084200000000, -0.0001186100000000, -0.0004565400000000 ] - [ -0.0001640300000000, 0.0000369500000000, -0.0003379900000000 ] - [ -0.0005539000000000, -0.0010801600000000, 0.0005626400000000 ] - [ -0.0005720700000000, -0.0002875400000000, -0.0002474800000000 ] - [ -0.0000393600000000, 0.0011924400000000, -0.0003904000000000 ] - [ -0.0002082700000000, -0.0000145100000000, -0.0001082000000000 ] - [ -0.0002558700000000, -0.0002166100000000, 0.0002160700000000 ] - [ -0.0002613500000000, -0.0000982500000000, 0.0001627500000000 ] - [ -0.0006036500000000, -0.0001601400000000, 0.0000821800000000 ] - [ 0.0001531500000000, 0.0000255900000000, 0.0000438900000000 ] - [ -0.0002359100000000, 0.0001240600000000, -0.0006780300000000 ] - [ -0.0001101300000000, 0.0000669100000000, -0.0001682800000000 ] - [ -0.0002440000000000, 0.0002996300000000, 0.0001052700000000 ] - [ 0.0000842100000000, 0.0002657400000000, 0.0000696800000000 ] - [ -0.0001389900000000, 0.0002904400000000, -0.0000036100000000 ] - [ -0.0002160800000000, 0.0002802800000000, -0.0000743200000000 ] - [ 0.0001069100000000, -0.0002458200000000, 0.0001575400000000 ] - [ -0.0000569500000000, -0.0001831600000000, -0.0000451400000000 ] - [ 0.0003873000000000, -0.0008441900000000, 0.0003090100000000 ] - [ -0.0001255300000000, -0.0003823100000000, 0.0000334000000000 ] - [ 0.0000807600000000, 0.0017936400000000, -0.0003006300000000 ] - [ 0.0001655600000000, -0.0003426400000000, -0.0000676500000000 ] - [ 0.0001559500000000, 0.0007862600000000, -0.0001239400000000 ] - [ 0.0003598800000000, 0.0006290000000000, 0.0000063600000000 ] - [ 0.0004631400000000, -0.0026139700000000, 0.0004284800000000 ] - [ 0.0001861500000000, -0.0007202500000000, 0.0001452600000000 ] - [ 0.0002116500000000, 0.0001179600000000, 0.0002048900000000 ] - [ 0.0001328000000000, 0.0006087200000000, 0.0001032400000000 ] - [ -0.0014783400000000, 0.0024122000000000, 0.0018974200000000 ] - [ -0.0002274800000000, -0.0005457000000000, -0.0001859900000000 ] - [ 0.0001475600000000, 0.0033629400000000, 0.0036786000000000 ] - [ -0.0002390600000000, 0.0006979100000000, -0.0001770700000000 ] - [ -0.0002769700000000, -0.0011016100000000, -0.0000961100000000 ] - [ -0.0002343700000000, -0.0007073000000000, 0.0001486800000000 ] - [ -0.0000204200000000, -0.0001924900000000, -0.0004149900000000 ] - [ -0.0002164900000000, 0.0004197700000000, 0.0001620100000000 ] - [ -0.0009419700000000, -0.0006469800000000, -0.0003413000000000 ] - [ 0.0002572300000000, 0.0001134200000000, -0.0002331500000000 ] - [ -0.0002857000000000, 0.0008193300000000, -0.0003229600000000 ] - [ -0.0002589000000000, 0.0004179500000000, -0.0002975600000000 ] - [ -0.0011342100000000, -0.0008877200000000, -0.0000562000000000 ] - [ -0.0001603700000000, -0.0000757900000000, 0.0003026700000000 ] - [ 0.0001399000000000, -0.0005406600000000, -0.0000806200000000 ] - [ -0.0000073200000000, -0.0003762700000000, -0.0003242100000000 ] - [ -0.0006335900000000, -0.0034255900000000, 0.0001369700000000 ] - [ 0.0005297200000000, -0.0002879800000000, 0.0000835700000000 ] - [ -0.0003360600000000, 0.0000122200000000, -0.0003551400000000 ] - [ -0.0001754400000000, 0.0000466700000000, -0.0001880400000000 ] - [ 0.0000049500000000, -0.0001676200000000, 0.0001800100000000 ] - [ -0.0004680800000000, -0.0001897000000000, 0.0002085400000000 ] - [ 0.0002684200000000, 0.0021456900000000, 0.0012124200000000 ] - [ -0.0002201200000000, 0.0002162500000000, 0.0004582200000000 ] - [ 0.0005157200000000, -0.0001519600000000, 0.0000334600000000 ] - [ 0.0004480600000000, 0.0000103500000000, 0.0000664900000000 ] - [ -0.0002715100000000, 0.0020824800000000, 0.0000486200000000 ] - [ 0.0004770200000000, 0.0000549500000000, 0.0002916900000000 ] - [ -0.0002276400000000, 0.0006007400000000, -0.0005773500000000 ] - [ -0.0000792600000000, 0.0001562400000000, -0.0001877100000000 ] - [ -0.0004076000000000, 0.0002499400000000, 0.0007854300000000 ] - [ -0.0001444300000000, -0.0001278900000000, 0.0005116800000000 ] - [ 0.0005193900000000, 0.0004524000000000, 0.0003101400000000 ] - [ 0.0004974700000000, 0.0000613600000000, 0.0003027200000000 ] - [ 0.0015666000000000, -0.0057985600000000, 0.0027126500000000 ] - [ 0.0001398000000000, 0.0000930100000000, 0.0002190900000000 ] - [ 0.0005263400000000, 0.0015653200000000, -0.0005128200000000 ] - [ -0.0001347500000000, -0.0000550700000000, -0.0002075900000000 ] - [ -0.0015590000000000, -0.0025086400000000, 0.0005987800000000 ] - [ -0.0004396900000000, -0.0000439100000000, -0.0002824300000000 ] - [ -0.0066206100000000, -0.0064759700000000, 0.0020735200000000 ] - [ 0.0002026800000000, 0.0001082100000000, -0.0004907100000000 ] - [ 0.0004136500000000, -0.0008612500000000, -0.0004358400000000 ] - [ 0.0000543300000000, -0.0002074400000000, 0.0002186200000000 ] - [ -0.0003565800000000, -0.0040226800000000, -0.0014700600000000 ] - [ -0.0004399100000000, -0.0000589100000000, -0.0002831000000000 ] - [ -0.0002020100000000, 0.0004869600000000, -0.0000854200000000 ] - [ -0.0004946500000000, -0.0000156200000000, -0.0000595200000000 ] - [ 0.0003394700000000, -0.0006397100000000, -0.0012605400000000 ] - [ 0.0002426000000000, -0.0002113600000000, -0.0004546100000000 ] - [ -0.0001214300000000, 0.0008015400000000, -0.0002694800000000 ] - [ 0.0003514400000000, 0.0001943000000000, -0.0002672000000000 ] - [ 0.0005170200000000, -0.0007141700000000, 0.0001351100000000 ] - [ 0.0005192700000000, -0.0002156100000000, 0.0004373200000000 ] - [ -0.0007476600000000, 0.0008567300000000, -0.0001071800000000 ] - [ -0.0005042700000000, 0.0002523500000000, -0.0000717900000000 ] - [ -0.0001518800000000, 0.0006440400000000, 0.0002665000000000 ] - [ 0.0001058300000000, 0.0005107100000000, 0.0002835900000000 ] - [ 0.0002113000000000, 0.0001483000000000, -0.0001515600000000 ] - [ 0.0001826200000000, 0.0000812000000000, -0.0003694400000000 ] - [ 0.0000698800000000, -0.0010705100000000, -0.0000629600000000 ] - [ 0.0003505300000000, -0.0003363600000000, 0.0003341700000000 ] - [ 0.0008695100000000, 0.0008261200000000, 0.0010979400000000 ] - [ -0.0000861700000000, -0.0002531800000000, 0.0002452600000000 ]- atom: 23 displacement: [ -0.0030577532044204, 0.0000000000000000, 0.0095210369887348 ] forces: - [ -0.0002829300000000, 0.0000147600000000, -0.0002138700000000 ] - [ 0.0000127800000000, 0.0004138700000000, -0.0002024800000000 ] - [ 0.0002956800000000, 0.0003531000000000, -0.0001423500000000 ] - [ -0.0001648400000000, 0.0002217900000000, 0.0000723500000000 ] - [ 0.0002374800000000, -0.0001722100000000, 0.0000608200000000 ] - [ 0.0001148300000000, -0.0001420200000000, 0.0001963500000000 ] - [ 0.0001845700000000, -0.0006083800000000, 0.0003362000000000 ] - [ 0.0001022400000000, -0.0003015100000000, 0.0001417500000000 ] - [ 0.0006313900000000, -0.0007270700000000, -0.0001026100000000 ] - [ 0.0000609300000000, -0.0000695500000000, 0.0002358100000000 ] - [ -0.0003059100000000, 0.0000063200000000, 0.0001812100000000 ] - [ 0.0001495100000000, -0.0000686500000000, -0.0001644500000000 ] - [ 0.0035626100000000, 0.0006626500000000, 0.0059010400000000 ] - [ 0.0002089800000000, 0.0000745600000000, -0.0000788800000000 ] - [ 0.0000767000000000, 0.0002000000000000, 0.0000780400000000 ] - [ 0.0002183300000000, 0.0001083300000000, -0.0000682000000000 ] - [ 0.0012034400000000, -0.0008184000000000, -0.0033531000000000 ] - [ 0.0005253800000000, 0.0002919900000000, 0.0002285200000000 ] - [ 0.0003380200000000, 0.0005728000000000, 0.0006323400000000 ] - [ 0.0001262900000000, -0.0000341500000000, 0.0003713300000000 ] - [ 0.0000039400000000, -0.0000831800000000, 0.0004474400000000 ] - [ 0.0002232500000000, 0.0000047400000000, 0.0001990700000000 ] - [ 0.0094459900000000, 0.0080591200000000, -0.0266745100000000 ] - [ -0.0003846400000000, 0.0003447900000000, -0.0003805500000000 ] - [ -0.0053505000000000, -0.0009476100000000, 0.0026424200000000 ] - [ 0.0002789300000000, -0.0000341100000000, -0.0002876600000000 ] - [ 0.0004089100000000, 0.0002885000000000, 0.0003093700000000 ] - [ 0.0003039500000000, 0.0003407900000000, 0.0003828700000000 ] - [ 0.0003500800000000, -0.0003087500000000, 0.0010858800000000 ] - [ 0.0005964500000000, -0.0002615200000000, 0.0002526600000000 ] - [ 0.0022873100000000, 0.0032103600000000, -0.0015436500000000 ] - [ -0.0001860500000000, -0.0000248400000000, -0.0003070100000000 ] - [ -0.0006009500000000, 0.0017212200000000, 0.0002465600000000 ] - [ 0.0001052600000000, 0.0000044500000000, 0.0002535600000000 ] - [ -0.0009964300000000, -0.0013206700000000, 0.0004314500000000 ] - [ -0.0005702100000000, 0.0002723700000000, -0.0002530200000000 ] - [ -0.0007823700000000, -0.0003767000000000, 0.0013012500000000 ] - [ -0.0002642300000000, -0.0003392000000000, -0.0003542300000000 ] - [ -0.0001343900000000, -0.0000025500000000, -0.0000820300000000 ] - [ -0.0002900900000000, 0.0000626500000000, 0.0001739200000000 ] - [ 0.0002846400000000, -0.0002377400000000, 0.0004350000000000 ] - [ 0.0003209100000000, -0.0003510600000000, 0.0003511000000000 ] - [ -0.0013799200000000, 0.0019693400000000, -0.0013577300000000 ] - [ -0.0001798300000000, -0.0000474500000000, -0.0002431800000000 ] - [ -0.0004961000000000, 0.0003365800000000, 0.0001884000000000 ] - [ -0.0000969900000000, 0.0000279400000000, -0.0003266200000000 ] - [ -0.0006275200000000, -0.0011330100000000, 0.0001396500000000 ] - [ -0.0005573800000000, -0.0002778800000000, -0.0002451500000000 ] - [ 0.0003107300000000, 0.0001778500000000, -0.0017136700000000 ] - [ -0.0004246600000000, -0.0001713800000000, -0.0000945600000000 ] - [ -0.0003478300000000, -0.0000400700000000, 0.0004134300000000 ] - [ -0.0002215200000000, -0.0000720500000000, 0.0001784700000000 ] - [ -0.0001658800000000, -0.0001566900000000, -0.0002629800000000 ] - [ -0.0000664300000000, 0.0002140800000000, -0.0001006900000000 ] - [ 0.0000571500000000, 0.0006618700000000, 0.0006671600000000 ] - [ -0.0001007400000000, 0.0000391200000000, -0.0001433100000000 ] - [ -0.0003091100000000, 0.0002041800000000, 0.0002908000000000 ] - [ 0.0000545800000000, 0.0002801000000000, -0.0000420200000000 ] - [ -0.0004806100000000, 0.0001947400000000, 0.0006145100000000 ] - [ 0.0000601800000000, 0.0002023400000000, 0.0000025300000000 ] - [ -0.0000016600000000, -0.0002364600000000, 0.0002807900000000 ] - [ 0.0000482200000000, -0.0000899300000000, 0.0000796300000000 ] - [ 0.0002511000000000, -0.0006268800000000, -0.0001182000000000 ] - [ -0.0000971000000000, -0.0003828600000000, 0.0000676900000000 ] - [ 0.0005840400000000, -0.0001884000000000, -0.0020866200000000 ] - [ -0.0006904900000000, -0.0008188500000000, -0.0003819000000000 ] - [ 0.0000161800000000, 0.0005087100000000, 0.0008210400000000 ] - [ 0.0010790100000000, 0.0001920900000000, 0.0001423300000000 ] - [ 0.0002137300000000, -0.0007320400000000, -0.0002054300000000 ] - [ 0.0000931100000000, -0.0007031700000000, 0.0001070300000000 ] - [ 0.0001064200000000, 0.0007324100000000, 0.0007437200000000 ] - [ 0.0003091800000000, 0.0006063300000000, 0.0002032700000000 ] - [ -0.0083288000000000, -0.0030108300000000, 0.0040957000000000 ] - [ -0.0001906400000000, -0.0006264800000000, -0.0002758100000000 ] - [ 0.0041818300000000, -0.0029337900000000, 0.0085253800000000 ] - [ -0.0002314500000000, 0.0006709700000000, -0.0000986000000000 ] - [ -0.0003948500000000, -0.0006283300000000, 0.0000108900000000 ] - [ -0.0002155000000000, -0.0005153800000000, 0.0000566300000000 ] - [ -0.0001007000000000, 0.0004739100000000, 0.0002824000000000 ] - [ -0.0002585900000000, 0.0005154600000000, 0.0002766700000000 ] - [ 0.0012395900000000, -0.0000135200000000, 0.0009646600000000 ] - [ 0.0003315600000000, 0.0003948300000000, 0.0001034500000000 ] - [ -0.0002979300000000, 0.0002517300000000, -0.0001406600000000 ] - [ -0.0000846300000000, 0.0002691000000000, -0.0002502400000000 ] - [ -0.0019080400000000, 0.0002297700000000, 0.0007522600000000 ] - [ 0.0001509800000000, 0.0001573400000000, 0.0001049000000000 ] - [ -0.0004044400000000, -0.0007135000000000, -0.0012202000000000 ] - [ -0.0000868400000000, -0.0002111800000000, -0.0005984700000000 ] - [ -0.0000185300000000, -0.0004591100000000, 0.0030855800000000 ] - [ 0.0008574000000000, -0.0002768800000000, 0.0001855200000000 ] - [ -0.0002374200000000, -0.0002287400000000, -0.0004997400000000 ] - [ -0.0004399800000000, -0.0001798600000000, -0.0004094900000000 ] - [ 0.0006545100000000, 0.0003777500000000, -0.0003134000000000 ] - [ -0.0006425700000000, 0.0000021700000000, 0.0004904400000000 ] - [ -0.0003819100000000, 0.0001579200000000, 0.0010551200000000 ] - [ -0.0001463800000000, 0.0001750000000000, 0.0004291300000000 ] - [ 0.0008995500000000, 0.0002419700000000, -0.0013726300000000 ] - [ 0.0001748200000000, 0.0000699400000000, -0.0000407600000000 ] - [ 0.0002671400000000, -0.0000417300000000, 0.0008460600000000 ] - [ 0.0005290200000000, 0.0000203000000000, 0.0003199300000000 ] - [ -0.0002300600000000, 0.0004584200000000, -0.0007673700000000 ] - [ -0.0001259900000000, 0.0001407000000000, -0.0002806300000000 ] - [ 0.0000824800000000, -0.0005212800000000, -0.0001619700000000 ] - [ -0.0002951900000000, -0.0001605600000000, 0.0005066500000000 ] - [ 0.0005337600000000, -0.0001409100000000, -0.0000977300000000 ] - [ 0.0004037500000000, 0.0000061200000000, 0.0002637200000000 ] - [ -0.0009581400000000, 0.0001320600000000, 0.0044900200000000 ] - [ 0.0002023900000000, 0.0001333300000000, 0.0002005000000000 ] - [ 0.0000232300000000, 0.0001708300000000, 0.0000949500000000 ] - [ -0.0000931800000000, -0.0001309700000000, -0.0001368800000000 ] - [ 0.0026526100000000, -0.0026104600000000, -0.0041966700000000 ] - [ -0.0004400000000000, 0.0000002300000000, -0.0002805900000000 ] - [ -0.0065771200000000, -0.0031967300000000, 0.0051426100000000 ] - [ 0.0003300900000000, 0.0001838700000000, -0.0003863800000000 ] - [ 0.0012273000000000, 0.0008054900000000, -0.0015768600000000 ] - [ -0.0000122100000000, -0.0001646200000000, 0.0002346700000000 ] - [ -0.0009926400000000, -0.0006572400000000, 0.0034773000000000 ] - [ -0.0004521400000000, -0.0000197100000000, -0.0002930100000000 ] - [ -0.0002871200000000, 0.0002331400000000, 0.0000020700000000 ] - [ -0.0005106100000000, -0.0001619800000000, 0.0000284500000000 ] - [ 0.0003352500000000, 0.0008742600000000, -0.0025139800000000 ] - [ 0.0001590800000000, -0.0001759400000000, -0.0005175100000000 ] - [ 0.0002412900000000, -0.0001592300000000, 0.0001430100000000 ] - [ 0.0002757900000000, 0.0000812100000000, -0.0002466100000000 ] - [ 0.0022104500000000, 0.0002188300000000, 0.0006277000000000 ] - [ 0.0003063900000000, 0.0001215100000000, 0.0006642100000000 ] - [ -0.0006015700000000, 0.0004162000000000, -0.0002236900000000 ] - [ -0.0004943700000000, 0.0001664600000000, -0.0001366300000000 ] - [ 0.0002299400000000, 0.0001855600000000, 0.0001778400000000 ] - [ -0.0000958300000000, 0.0003166200000000, 0.0003154000000000 ] - [ 0.0001502500000000, -0.0002165500000000, -0.0006778600000000 ] - [ 0.0001679900000000, 0.0000553600000000, -0.0004394000000000 ] - [ -0.0014502600000000, -0.0000315500000000, -0.0007084900000000 ] - [ 0.0003173900000000, -0.0002189300000000, 0.0001044600000000 ] - [ -0.0004851600000000, -0.0005771300000000, 0.0002856900000000 ] - [ 0.0000498100000000, -0.0003950900000000, 0.0001601500000000 ]- atom: 23 displacement: [ 0.0030577532044204, 0.0000000000000000, -0.0095210369887348 ] forces: - [ 0.0003655200000000, 0.0006861900000000, 0.0001819300000000 ] - [ 0.0000713400000000, 0.0002885600000000, 0.0001661900000000 ] - [ -0.0003088100000000, -0.0000827000000000, 0.0000995700000000 ] - [ 0.0001516900000000, 0.0000520100000000, -0.0001106300000000 ] - [ 0.0000936800000000, -0.0001181500000000, 0.0000837100000000 ] - [ 0.0002151800000000, -0.0001478300000000, -0.0000505500000000 ] - [ -0.0000974100000000, -0.0000953600000000, -0.0003723300000000 ] - [ -0.0000184000000000, -0.0004014400000000, -0.0001777800000000 ] - [ -0.0003588100000000, 0.0006505900000000, 0.0005108600000000 ] - [ 0.0002104800000000, -0.0000107400000000, 0.0001761700000000 ] - [ 0.0002951800000000, -0.0002814000000000, -0.0002177100000000 ] - [ -0.0001622300000000, -0.0002053200000000, 0.0001269000000000 ] - [ -0.0030080100000000, -0.0005332100000000, -0.0061946800000000 ] - [ 0.0002930700000000, 0.0000460100000000, -0.0002760600000000 ] - [ 0.0002537300000000, 0.0000894800000000, 0.0000690600000000 ] - [ 0.0001121900000000, 0.0001818600000000, 0.0002139400000000 ] - [ -0.0000966900000000, 0.0012844200000000, 0.0038429100000000 ] - [ 0.0005998600000000, 0.0002586800000000, 0.0002579000000000 ] - [ -0.0000784400000000, -0.0006182200000000, -0.0000009500000000 ] - [ 0.0001304800000000, -0.0000146300000000, 0.0002609400000000 ] - [ 0.0002682900000000, 0.0001645800000000, -0.0000339400000000 ] - [ 0.0000483000000000, 0.0000757400000000, 0.0002131200000000 ] - [ -0.0097694900000000, -0.0071580600000000, 0.0263697200000000 ] - [ -0.0002511300000000, 0.0003437800000000, -0.0003547200000000 ] - [ 0.0059215500000000, 0.0008365900000000, -0.0030120900000000 ] - [ 0.0002237100000000, -0.0000865000000000, -0.0000670600000000 ] - [ 0.0002275500000000, 0.0003996800000000, 0.0004249700000000 ] - [ 0.0003304300000000, 0.0003479800000000, 0.0003523800000000 ] - [ 0.0007766500000000, -0.0002447200000000, -0.0005985700000000 ] - [ 0.0005287400000000, -0.0002891500000000, 0.0002333200000000 ] - [ -0.0025451200000000, -0.0032494000000000, 0.0009393000000000 ] - [ -0.0000717300000000, -0.0000242100000000, -0.0003251900000000 ] - [ 0.0008598400000000, -0.0016772500000000, 0.0003962100000000 ] - [ 0.0001517500000000, 0.0000443800000000, 0.0003788600000000 ] - [ -0.0001316900000000, 0.0018607700000000, -0.0009183300000000 ] - [ -0.0005562900000000, 0.0002786400000000, -0.0002335900000000 ] - [ 0.0001456100000000, -0.0003115500000000, -0.0020371900000000 ] - [ -0.0003714400000000, -0.0003495700000000, -0.0003817000000000 ] - [ -0.0003675700000000, 0.0001229000000000, 0.0004369200000000 ] - [ -0.0002134700000000, 0.0000577900000000, 0.0001810400000000 ] - [ 0.0003508500000000, -0.0004518200000000, 0.0003019100000000 ] - [ 0.0003136200000000, -0.0003377200000000, 0.0003842200000000 ] - [ 0.0011118600000000, -0.0020474200000000, 0.0009361800000000 ] - [ -0.0000937700000000, -0.0000335900000000, -0.0001684000000000 ] - [ 0.0002379100000000, -0.0002859500000000, -0.0008200700000000 ] - [ -0.0001608800000000, 0.0000206900000000, -0.0003065500000000 ] - [ -0.0004983600000000, 0.0005883000000000, -0.0006244400000000 ] - [ -0.0005686300000000, -0.0002726800000000, -0.0002414300000000 ] - [ -0.0006286600000000, -0.0004684100000000, 0.0015731000000000 ] - [ 0.0000931100000000, -0.0001188800000000, -0.0000481300000000 ] - [ -0.0001551200000000, -0.0000803200000000, -0.0000585100000000 ] - [ -0.0002818000000000, -0.0000484000000000, 0.0001757500000000 ] - [ 0.0001768300000000, 0.0004297000000000, 0.0003000900000000 ] - [ 0.0000780900000000, 0.0000602300000000, 0.0001391600000000 ] - [ -0.0003330400000000, -0.0005863700000000, -0.0010846800000000 ] - [ -0.0001711200000000, 0.0000409000000000, -0.0002694900000000 ] - [ 0.0002239000000000, 0.0004973500000000, -0.0002558100000000 ] - [ -0.0001395500000000, 0.0004230500000000, 0.0000772700000000 ] - [ 0.0001489700000000, 0.0000953600000000, -0.0007604900000000 ] - [ -0.0003899100000000, 0.0000874200000000, -0.0001513700000000 ] - [ 0.0000130400000000, -0.0000365100000000, -0.0002425300000000 ] - [ -0.0000355300000000, -0.0001833300000000, -0.0000424200000000 ] - [ -0.0003362800000000, -0.0000746500000000, 0.0001544600000000 ] - [ 0.0000120500000000, -0.0003189100000000, -0.0000308900000000 ] - [ -0.0001572400000000, -0.0008071900000000, 0.0017810900000000 ] - [ 0.0011471600000000, -0.0001996700000000, 0.0000852900000000 ] - [ 0.0004467900000000, 0.0005096600000000, -0.0011145900000000 ] - [ -0.0006242300000000, 0.0008261400000000, -0.0004371600000000 ] - [ 0.0001908600000000, -0.0005837600000000, 0.0005309300000000 ] - [ 0.0003117400000000, -0.0006091000000000, 0.0002182500000000 ] - [ 0.0003004700000000, 0.0005791800000000, -0.0004176800000000 ] - [ 0.0000958400000000, 0.0007059100000000, 0.0001217100000000 ] - [ 0.0078137800000000, 0.0016825500000000, -0.0043749700000000 ] - [ -0.0002196400000000, -0.0006844800000000, -0.0000512900000000 ] - [ -0.0046548300000000, 0.0042828600000000, -0.0089615400000000 ] - [ -0.0001732500000000, 0.0006415300000000, -0.0002269000000000 ] - [ -0.0000637700000000, -0.0003874600000000, 0.0002827200000000 ] - [ -0.0002435600000000, -0.0005020400000000, 0.0002377400000000 ] - [ -0.0003587600000000, 0.0005431400000000, 0.0000126100000000 ] - [ -0.0001991700000000, 0.0005015700000000, 0.0000177100000000 ] - [ -0.0011315000000000, 0.0006796100000000, -0.0014728100000000 ] - [ -0.0002309800000000, 0.0002787400000000, -0.0005955800000000 ] - [ -0.0002424200000000, 0.0001672800000000, -0.0004999600000000 ] - [ -0.0004553900000000, 0.0001486300000000, -0.0003897700000000 ] - [ 0.0014758900000000, -0.0001890800000000, -0.0000855700000000 ] - [ -0.0005807000000000, -0.0001103500000000, 0.0005483400000000 ] - [ 0.0005008200000000, 0.0000365800000000, 0.0007262700000000 ] - [ 0.0001899300000000, -0.0004633500000000, 0.0001067200000000 ] - [ 0.0010541300000000, 0.0001258400000000, -0.0029533100000000 ] - [ 0.0001559700000000, -0.0000592900000000, -0.0000484800000000 ] - [ -0.0003049400000000, -0.0001895200000000, -0.0001414000000000 ] - [ -0.0001002900000000, -0.0002383900000000, -0.0002312800000000 ] - [ -0.0010917300000000, -0.0004299200000000, 0.0009631200000000 ] - [ 0.0002118200000000, -0.0000484900000000, 0.0001612100000000 ] - [ -0.0000694200000000, 0.0001959000000000, -0.0001252500000000 ] - [ -0.0003035900000000, 0.0001728900000000, 0.0004950500000000 ] - [ 0.0001075100000000, 0.0000953000000000, 0.0015079800000000 ] - [ 0.0008387700000000, 0.0002662900000000, 0.0001772200000000 ] - [ 0.0006510100000000, 0.0000567800000000, -0.0002641600000000 ] - [ 0.0003903000000000, -0.0000046700000000, 0.0002633700000000 ] - [ 0.0000110800000000, -0.0001823900000000, 0.0003426500000000 ] - [ -0.0000900100000000, 0.0001328800000000, -0.0001435900000000 ] - [ -0.0005347500000000, 0.0001754600000000, 0.0010848800000000 ] - [ -0.0001553600000000, -0.0001869300000000, 0.0004179400000000 ] - [ 0.0003843600000000, 0.0001249300000000, 0.0006804000000000 ] - [ 0.0005154800000000, -0.0000217400000000, 0.0003196100000000 ] - [ 0.0011403800000000, 0.0001802800000000, -0.0041300500000000 ] - [ 0.0000144200000000, 0.0001410500000000, 0.0002245300000000 ] - [ -0.0002377600000000, -0.0004399200000000, -0.0005245300000000 ] - [ -0.0001228300000000, -0.0001428900000000, -0.0002876200000000 ] - [ -0.0035945500000000, 0.0026074400000000, 0.0036442100000000 ] - [ -0.0004763100000000, 0.0000157200000000, -0.0003014800000000 ] - [ 0.0068289800000000, 0.0034109700000000, -0.0060322400000000 ] - [ 0.0001229800000000, 0.0001631800000000, -0.0005380200000000 ] - [ -0.0010032800000000, -0.0010773600000000, 0.0019989500000000 ] - [ 0.0002303100000000, -0.0001098100000000, 0.0001914900000000 ] - [ 0.0000694100000000, 0.0005818500000000, -0.0044996600000000 ] - [ -0.0004662200000000, 0.0000041500000000, -0.0002902100000000 ] - [ -0.0007255800000000, -0.0005697000000000, -0.0001372500000000 ] - [ -0.0005000500000000, -0.0001737200000000, -0.0001641800000000 ] - [ 0.0001206800000000, -0.0012246100000000, 0.0015935400000000 ] - [ 0.0002916600000000, -0.0001720500000000, -0.0004059600000000 ] - [ 0.0001902700000000, 0.0002044800000000, -0.0007943600000000 ] - [ 0.0001571700000000, -0.0000336200000000, -0.0004058500000000 ] - [ -0.0016629900000000, 0.0002015300000000, 0.0000162700000000 ] - [ 0.0002458200000000, 0.0002935500000000, -0.0000190900000000 ] - [ -0.0004097700000000, -0.0000813100000000, 0.0000869300000000 ] - [ -0.0005181400000000, 0.0001700400000000, 0.0000002800000000 ] - [ -0.0003303100000000, 0.0004858000000000, 0.0003168000000000 ] - [ -0.0000040200000000, 0.0003577600000000, 0.0001791400000000 ] - [ 0.0002814500000000, 0.0001702300000000, 0.0000256300000000 ] - [ 0.0002626700000000, -0.0001018700000000, -0.0002121300000000 ] - [ 0.0019988200000000, -0.0003888600000000, 0.0013527800000000 ] - [ 0.0002208700000000, -0.0001990400000000, 0.0005354700000000 ] - [ 0.0003832500000000, -0.0000966700000000, 0.0002064100000000 ] - [ -0.0001512000000000, -0.0002776600000000, 0.0003328900000000 ]- atom: 65 displacement: [ 0.0099997439015081, 0.0000000000000000, 0.0000715674804079 ] forces: - [ -0.0030489000000000, 0.0011496800000000, -0.0010307000000000 ] - [ 0.0005693100000000, 0.0003795100000000, 0.0000656100000000 ] - [ -0.0042450500000000, -0.0008343600000000, -0.0010025200000000 ] - [ 0.0005984100000000, 0.0002217700000000, 0.0001174300000000 ] - [ -0.0004413000000000, 0.0000188600000000, -0.0002506300000000 ] - [ 0.0006098200000000, -0.0001398700000000, 0.0002079600000000 ] - [ -0.0002556000000000, 0.0004695800000000, -0.0015603000000000 ] - [ 0.0005920500000000, -0.0004304200000000, 0.0001798100000000 ] - [ 0.0004642100000000, 0.0038607300000000, 0.0003680500000000 ] - [ 0.0007138800000000, -0.0001791100000000, 0.0003011800000000 ] - [ -0.0004932400000000, -0.0004079700000000, -0.0013235900000000 ] - [ 0.0004906900000000, -0.0001748400000000, 0.0002230300000000 ] - [ 0.0059235200000000, -0.0018679600000000, -0.0070160800000000 ] - [ 0.0013551600000000, 0.0000180600000000, 0.0001825300000000 ] - [ -0.0004434800000000, -0.0001321400000000, -0.0000986100000000 ] - [ 0.0005807200000000, 0.0001261400000000, 0.0002230800000000 ] - [ 0.0020179400000000, -0.0022433300000000, 0.0009245700000000 ] - [ 0.0013118900000000, 0.0007194800000000, 0.0001195500000000 ] - [ 0.0003097500000000, -0.0006786800000000, -0.0003702500000000 ] - [ 0.0006763400000000, 0.0003437500000000, 0.0006257400000000 ] - [ -0.0002218900000000, -0.0001696300000000, 0.0002833500000000 ] - [ 0.0004888400000000, 0.0000481700000000, 0.0004144200000000 ] - [ 0.0054485700000000, 0.0004937100000000, 0.0018537000000000 ] - [ 0.0009916600000000, 0.0004105400000000, -0.0009149000000000 ] - [ -0.0014473500000000, -0.0004012900000000, 0.0039721600000000 ] - [ 0.0008092400000000, -0.0000283000000000, -0.0000229200000000 ] - [ 0.0006232300000000, 0.0002957500000000, 0.0002904900000000 ] - [ 0.0004159500000000, 0.0003365200000000, 0.0004132500000000 ] - [ 0.0007246400000000, 0.0000136700000000, -0.0000331400000000 ] - [ 0.0009920400000000, -0.0007276500000000, 0.0007204300000000 ] - [ 0.0002964800000000, 0.0005696600000000, 0.0001486400000000 ] - [ 0.0000004200000000, -0.0007863800000000, -0.0011055700000000 ] - [ 0.0005171200000000, 0.0019049700000000, 0.0021838400000000 ] - [ 0.0005343100000000, -0.0000769500000000, 0.0003487300000000 ] - [ -0.0000696100000000, 0.0006993900000000, -0.0003482800000000 ] - [ -0.0002065400000000, -0.0009630000000000, 0.0001028300000000 ] - [ -0.0000117600000000, -0.0004164700000000, -0.0004867400000000 ] - [ 0.0002238100000000, -0.0002130500000000, 0.0007029300000000 ] - [ 0.0000969100000000, -0.0000205600000000, 0.0003217900000000 ] - [ -0.0003432100000000, -0.0000072800000000, -0.0000161000000000 ] - [ 0.0003461100000000, -0.0005499700000000, 0.0005136000000000 ] - [ 0.0003266000000000, -0.0003573600000000, 0.0003397800000000 ] - [ 0.0006998100000000, -0.0003688500000000, -0.0001189700000000 ] - [ 0.0006377500000000, 0.0033664800000000, -0.0021176400000000 ] - [ 0.0002414300000000, -0.0002285600000000, -0.0003170400000000 ] - [ -0.0000124300000000, 0.0017072200000000, 0.0010053500000000 ] - [ -0.0003030200000000, -0.0006798400000000, 0.0003222200000000 ] - [ -0.0004987000000000, 0.0001011600000000, -0.0002377500000000 ] - [ 0.0006406900000000, -0.0001242800000000, 0.0002124400000000 ] - [ 0.0049119900000000, 0.0021582200000000, -0.0098651500000000 ] - [ 0.0000191600000000, -0.0000902500000000, 0.0002184900000000 ] - [ -0.0006025800000000, 0.0000638200000000, 0.0002270200000000 ] - [ 0.0004918500000000, 0.0002233900000000, 0.0001701200000000 ] - [ 0.0006076700000000, -0.0044740900000000, -0.0012449700000000 ] - [ 0.0002162100000000, 0.0002793500000000, -0.0000300800000000 ] - [ -0.0010381900000000, -0.0005215000000000, -0.0005013300000000 ] - [ 0.0004320900000000, 0.0004287400000000, 0.0000672600000000 ] - [ -0.0013944900000000, -0.0027464200000000, 0.0021709100000000 ] - [ 0.0004826100000000, 0.0001561000000000, 0.0001007000000000 ] - [ -0.0041087900000000, 0.0009432300000000, 0.0036929400000000 ] - [ 0.0004526400000000, -0.0001571100000000, 0.0002338800000000 ] - [ -0.0008043300000000, -0.0000002700000000, -0.0002291400000000 ] - [ 0.0004668500000000, -0.0005008100000000, 0.0002277100000000 ] - [ -0.0007334500000000, 0.0000944000000000, -0.0005378200000000 ] - [ -0.1982789000000000, 0.0126147700000000, 0.0131114900000000 ] - [ 0.0017136600000000, -0.0005354500000000, 0.0001051700000000 ] - [ -0.0019818800000000, 0.0007225500000000, -0.0018323900000000 ] - [ 0.0014916200000000, 0.0005635800000000, 0.0005520800000000 ] - [ -0.0009263200000000, -0.0016244100000000, 0.0000729500000000 ] - [ 0.0010287000000000, -0.0005298600000000, 0.0002637200000000 ] - [ -0.0003256700000000, 0.0010047700000000, -0.0006595000000000 ] - [ 0.0008970200000000, 0.0004240500000000, 0.0006185000000000 ] - [ 0.0014920000000000, -0.0003746600000000, -0.0002521500000000 ] - [ 0.0193059500000000, -0.0064300100000000, 0.0076551500000000 ] - [ 0.0009083000000000, 0.0008008700000000, 0.0011074500000000 ] - [ -0.0007403300000000, 0.0002365400000000, -0.0009252400000000 ] - [ 0.0006503500000000, -0.0005926800000000, 0.0003125300000000 ] - [ -0.0016836500000000, -0.0000593000000000, -0.0002440300000000 ] - [ 0.0005480000000000, 0.0005438300000000, 0.0005298400000000 ] - [ -0.0009656100000000, 0.0004049100000000, -0.0007524500000000 ] - [ 0.0294050100000000, -0.0055117200000000, -0.0086875800000000 ] - [ -0.0008727000000000, 0.0003605100000000, -0.0004557300000000 ] - [ 0.0016398100000000, 0.0000976400000000, -0.0001250900000000 ] - [ -0.0013201800000000, 0.0002322000000000, -0.0005690200000000 ] - [ 0.0376213600000000, 0.0147797300000000, -0.0220199300000000 ] - [ -0.0013498700000000, 0.0001188400000000, 0.0002241700000000 ] - [ 0.0016763200000000, 0.0000521700000000, 0.0017761800000000 ] - [ -0.0009355300000000, -0.0003979000000000, -0.0008259800000000 ] - [ 0.0584435500000000, -0.0362110500000000, 0.0101746500000000 ] - [ -0.0008788900000000, -0.0000596100000000, -0.0001068000000000 ] - [ 0.0006867700000000, -0.0001727000000000, 0.0002524900000000 ] - [ -0.0012247000000000, -0.0001839700000000, -0.0007220100000000 ] - [ 0.0019699600000000, -0.0005484400000000, 0.0011747000000000 ] - [ -0.0010549600000000, -0.0000952800000000, -0.0000656700000000 ] - [ 0.0002705800000000, 0.0017700100000000, 0.0010558000000000 ] - [ -0.0009232700000000, -0.0001914700000000, 0.0004269900000000 ] - [ 0.0013786700000000, 0.0003401100000000, 0.0015139600000000 ] - [ -0.0006414500000000, 0.0000094600000000, -0.0005837300000000 ] - [ 0.0004741700000000, -0.0000352700000000, -0.0004667300000000 ] - [ -0.0000508400000000, 0.0003592600000000, 0.0002976500000000 ] - [ -0.0003288500000000, -0.0005808500000000, 0.0004817700000000 ] - [ -0.0008670200000000, 0.0005284800000000, -0.0006290200000000 ] - [ 0.0000587300000000, -0.0001536500000000, 0.0010351500000000 ] - [ -0.0006870800000000, 0.0001313800000000, 0.0000965100000000 ] - [ 0.0004644000000000, 0.0001299000000000, 0.0005810600000000 ] - [ 0.0001694000000000, -0.0002823300000000, -0.0000265300000000 ] - [ -0.0014109000000000, 0.0004470700000000, -0.0012444500000000 ] - [ -0.0004827500000000, -0.0004382700000000, 0.0016114200000000 ] - [ 0.0006288300000000, 0.0011400100000000, -0.0007017100000000 ] - [ -0.0006936900000000, -0.0002675100000000, -0.0002202700000000 ] - [ -0.0025162300000000, 0.0001086500000000, 0.0000428600000000 ] - [ -0.0066639500000000, -0.0018816100000000, -0.0026665000000000 ] - [ -0.0015907100000000, -0.0005199900000000, -0.0003011600000000 ] - [ -0.0059311500000000, 0.0046586600000000, 0.0014112300000000 ] - [ -0.0006840200000000, -0.0004986800000000, 0.0004319400000000 ] - [ -0.0016049800000000, 0.0041400200000000, -0.0049479900000000 ] - [ -0.0012301100000000, -0.0004839200000000, -0.0016386600000000 ] - [ -0.0006298300000000, 0.0001961400000000, 0.0000674400000000 ] - [ -0.0011775100000000, -0.0003738800000000, -0.0002040400000000 ] - [ 0.0004590900000000, 0.0003175900000000, -0.0002261100000000 ] - [ -0.0003083500000000, -0.0000041900000000, -0.0010204400000000 ] - [ 0.0007804200000000, -0.0005425000000000, -0.0008651900000000 ] - [ -0.0005496700000000, 0.0002311900000000, -0.0004452700000000 ] - [ 0.0021107000000000, -0.0008977400000000, 0.0005202200000000 ] - [ -0.0014583400000000, 0.0001763700000000, -0.0000712400000000 ] - [ 0.0562546300000000, 0.0138812100000000, 0.0103257000000000 ] - [ -0.0010758300000000, 0.0004358200000000, -0.0003771000000000 ] - [ -0.0000058700000000, -0.0000977200000000, 0.0003228900000000 ] - [ -0.0007544600000000, 0.0004392800000000, 0.0000742600000000 ] - [ 0.0019558800000000, -0.0004379700000000, 0.0003666100000000 ] - [ -0.0003977700000000, -0.0000981500000000, -0.0005476200000000 ] - [ 0.0013299000000000, -0.0002980600000000, 0.0004220400000000 ] - [ -0.0011894700000000, -0.0002729500000000, -0.0003957800000000 ] - [ 0.0019998200000000, -0.0003341400000000, 0.0017198000000000 ] - [ -0.0007115200000000, -0.0004704700000000, -0.0001203200000000 ] - [ 0.0006648200000000, 0.0001872900000000, 0.0011897200000000 ]- atom: 65 displacement: [ -0.0099997439015081, 0.0000000000000000, -0.0000715674804079 ] forces: - [ 0.0031262700000000, -0.0004544400000000, 0.0009973100000000 ] - [ -0.0004840300000000, 0.0003233400000000, -0.0001013900000000 ] - [ 0.0042373100000000, 0.0010885200000000, 0.0009558800000000 ] - [ -0.0006104900000000, 0.0000522300000000, -0.0001549400000000 ] - [ 0.0007714100000000, -0.0003084000000000, 0.0003953000000000 ] - [ -0.0002786600000000, -0.0001505100000000, -0.0000617200000000 ] - [ 0.0003362700000000, -0.0011806100000000, 0.0015407700000000 ] - [ -0.0005062700000000, -0.0002721600000000, -0.0002152100000000 ] - [ -0.0001865000000000, -0.0039669400000000, 0.0000439500000000 ] - [ -0.0004400700000000, 0.0000982900000000, 0.0001112900000000 ] - [ 0.0004799700000000, 0.0001297400000000, 0.0012746400000000 ] - [ -0.0005018400000000, -0.0000990800000000, -0.0002607900000000 ] - [ -0.0054838800000000, 0.0020212400000000, 0.0067552800000000 ] - [ -0.0008499200000000, 0.0001037700000000, -0.0005355600000000 ] - [ 0.0007719700000000, 0.0004232500000000, 0.0002449600000000 ] - [ -0.0002493400000000, 0.0001636700000000, -0.0000770400000000 ] - [ -0.0009063000000000, 0.0028169000000000, -0.0004428300000000 ] - [ -0.0001862700000000, -0.0001670600000000, 0.0003677800000000 ] - [ -0.0000513900000000, 0.0006323500000000, 0.0010012700000000 ] - [ -0.0004192900000000, -0.0003928800000000, 0.0000069500000000 ] - [ 0.0004932300000000, 0.0002494700000000, 0.0001301800000000 ] - [ -0.0002165300000000, 0.0000318100000000, -0.0000026100000000 ] - [ -0.0061524100000000, 0.0002112000000000, -0.0026223700000000 ] - [ -0.0016211700000000, 0.0002812200000000, 0.0001790700000000 ] - [ 0.0019694900000000, 0.0002876400000000, -0.0043243700000000 ] - [ -0.0003053800000000, -0.0000915400000000, -0.0003322000000000 ] - [ 0.0000134500000000, 0.0003922400000000, 0.0004441700000000 ] - [ 0.0002182800000000, 0.0003499800000000, 0.0003219100000000 ] - [ 0.0004031100000000, -0.0005664500000000, 0.0005219500000000 ] - [ 0.0001350900000000, 0.0001752000000000, -0.0002320100000000 ] - [ -0.0005529500000000, -0.0006219500000000, -0.0007831900000000 ] - [ -0.0002566800000000, 0.0007316500000000, 0.0004664800000000 ] - [ -0.0002601700000000, -0.0018692400000000, -0.0015619700000000 ] - [ -0.0002760100000000, 0.0001254400000000, 0.0002835700000000 ] - [ -0.0010550500000000, -0.0001521500000000, -0.0001366800000000 ] - [ -0.0009170100000000, 0.0015055600000000, -0.0005858700000000 ] - [ -0.0006232500000000, -0.0002717000000000, -0.0002458900000000 ] - [ -0.0008583300000000, -0.0004726000000000, -0.0014377100000000 ] - [ -0.0005976700000000, 0.0001400400000000, 0.0000336400000000 ] - [ -0.0001609700000000, 0.0001260200000000, 0.0003705400000000 ] - [ 0.0002902500000000, -0.0001380900000000, 0.0002230300000000 ] - [ 0.0003073600000000, -0.0003314800000000, 0.0003948400000000 ] - [ -0.0009706400000000, 0.0002915900000000, -0.0002938400000000 ] - [ -0.0009009400000000, -0.0034337000000000, 0.0017101900000000 ] - [ -0.0004982000000000, 0.0002786100000000, -0.0003150700000000 ] - [ -0.0002457800000000, -0.0016588800000000, -0.0016403100000000 ] - [ -0.0008201500000000, 0.0001293200000000, -0.0008055100000000 ] - [ -0.0006273200000000, -0.0006508800000000, -0.0002493100000000 ] - [ -0.0009719300000000, -0.0001652900000000, -0.0003596300000000 ] - [ -0.0051868000000000, -0.0024079400000000, 0.0096130500000000 ] - [ -0.0005208600000000, -0.0000298400000000, 0.0001370000000000 ] - [ 0.0000981700000000, -0.0001845700000000, 0.0001275600000000 ] - [ -0.0004796600000000, 0.0000488700000000, -0.0001322100000000 ] - [ -0.0005969200000000, 0.0047029200000000, 0.0012729800000000 ] - [ -0.0004876300000000, -0.0002002600000000, -0.0003815100000000 ] - [ 0.0007614200000000, 0.0005990600000000, 0.0000871800000000 ] - [ -0.0005165700000000, 0.0002726700000000, -0.0000309300000000 ] - [ 0.0012978600000000, 0.0034319000000000, -0.0021275200000000 ] - [ -0.0008134900000000, 0.0001344100000000, -0.0002460000000000 ] - [ 0.0037579700000000, -0.0006523200000000, -0.0038648200000000 ] - [ -0.0004404400000000, -0.0001161900000000, -0.0001956900000000 ] - [ 0.0008157300000000, -0.0002730600000000, 0.0002652100000000 ] - [ -0.0005506000000000, -0.0002007500000000, -0.0001914100000000 ] - [ 0.0006467900000000, -0.0007942500000000, 0.0005736600000000 ] - [ 0.1964560600000000, -0.0180302500000000, -0.0147130500000000 ] - [ -0.0012545100000000, -0.0004818000000000, -0.0003991200000000 ] - [ 0.0024357600000000, 0.0002935000000000, 0.0015365500000000 ] - [ -0.0010316700000000, 0.0004544100000000, -0.0008469500000000 ] - [ 0.0013312000000000, 0.0003093000000000, 0.0002530200000000 ] - [ -0.0006220900000000, -0.0007836800000000, 0.0000626700000000 ] - [ 0.0007311700000000, 0.0003100500000000, 0.0009857500000000 ] - [ -0.0004911900000000, 0.0008856900000000, -0.0002922600000000 ] - [ -0.0019006200000000, -0.0009373500000000, -0.0000692200000000 ] - [ -0.0195583400000000, 0.0052014000000000, -0.0078930200000000 ] - [ -0.0013129400000000, 0.0005123500000000, -0.0014336000000000 ] - [ 0.0003357400000000, 0.0010776600000000, 0.0005939900000000 ] - [ -0.0011071500000000, -0.0004238200000000, -0.0000184700000000 ] - [ 0.0012194600000000, -0.0009595000000000, 0.0005370300000000 ] - [ -0.0010052200000000, 0.0004722300000000, -0.0002356000000000 ] - [ 0.0005048500000000, 0.0006119300000000, 0.0010434700000000 ] - [ -0.0294518700000000, 0.0064576000000000, 0.0085691100000000 ] - [ 0.0009736700000000, 0.0003131200000000, -0.0000370000000000 ] - [ -0.0021766700000000, 0.0003224900000000, -0.0005146800000000 ] - [ 0.0007785600000000, 0.0001898800000000, -0.0000722000000000 ] - [ -0.0378871800000000, -0.0149203600000000, 0.0230157500000000 ] - [ 0.0009182800000000, -0.0000721800000000, 0.0004268600000000 ] - [ -0.0015780300000000, -0.0007295900000000, -0.0022706900000000 ] - [ 0.0010369800000000, -0.0002766900000000, 0.0003339400000000 ] - [ -0.0589549700000000, 0.0382826500000000, -0.0107120400000000 ] - [ 0.0018888200000000, -0.0002775500000000, 0.0002419700000000 ] - [ -0.0012252800000000, -0.0002494500000000, -0.0008926000000000 ] - [ 0.0006829000000000, -0.0002365900000000, 0.0000805600000000 ] - [ -0.0023921300000000, 0.0004970800000000, -0.0005231000000000 ] - [ 0.0006231900000000, 0.0000478200000000, 0.0007180000000000 ] - [ -0.0007220200000000, -0.0014180000000000, -0.0001289700000000 ] - [ 0.0004734000000000, 0.0005399300000000, 0.0004963300000000 ] - [ -0.0003669000000000, 0.0000018400000000, -0.0013841800000000 ] - [ 0.0016510900000000, 0.0003249500000000, 0.0007195400000000 ] - [ 0.0004403000000000, 0.0000503700000000, 0.0010490700000000 ] - [ 0.0009677300000000, -0.0003408900000000, 0.0002852400000000 ] - [ 0.0001086700000000, 0.0008538800000000, -0.0009073300000000 ] - [ 0.0006485200000000, -0.0002519700000000, 0.0002029200000000 ] - [ -0.0005099500000000, -0.0001961200000000, -0.0001140500000000 ] - [ 0.0002361700000000, -0.0004767700000000, 0.0008273600000000 ] - [ 0.0004524100000000, -0.0001465700000000, 0.0000010200000000 ] - [ 0.0007494900000000, 0.0002682400000000, 0.0006097400000000 ] - [ 0.0016253700000000, -0.0001810600000000, 0.0016708400000000 ] - [ 0.0006960900000000, 0.0007060400000000, -0.0011828400000000 ] - [ -0.0008449500000000, -0.0014096400000000, 0.0002748300000000 ] - [ 0.0004769300000000, -0.0000061200000000, -0.0002041700000000 ] - [ 0.0016036200000000, -0.0000982700000000, -0.0006276400000000 ] - [ 0.0057772900000000, 0.0018913600000000, 0.0020884800000000 ] - [ 0.0020478900000000, 0.0008714700000000, -0.0006253700000000 ] - [ 0.0063234200000000, -0.0042977900000000, -0.0023366700000000 ] - [ 0.0009004600000000, 0.0002263900000000, -0.0000102200000000 ] - [ 0.0018085900000000, -0.0044093900000000, 0.0053449100000000 ] - [ 0.0003088700000000, 0.0004694500000000, 0.0010607400000000 ] - [ -0.0002888000000000, -0.0002124800000000, -0.0006470200000000 ] - [ 0.0001630100000000, 0.0000378400000000, 0.0000671200000000 ] - [ -0.0014653000000000, -0.0006486600000000, 0.0000897200000000 ] - [ 0.0007572400000000, -0.0003451300000000, 0.0000954300000000 ] - [ -0.0003290300000000, 0.0001922200000000, -0.0000546100000000 ] - [ 0.0009787600000000, -0.0001847600000000, -0.0002065300000000 ] - [ -0.0016759500000000, 0.0009451000000000, -0.0011714700000000 ] - [ 0.0019999000000000, 0.0002441600000000, 0.0007116900000000 ] - [ -0.0519603500000000, -0.0116209800000000, -0.0084144600000000 ] - [ 0.0000622500000000, -0.0000999900000000, 0.0002399400000000 ] - [ -0.0010045900000000, 0.0004335700000000, -0.0004578900000000 ] - [ 0.0006521400000000, 0.0002325900000000, 0.0004192700000000 ] - [ -0.0020544900000000, 0.0011132500000000, 0.0001273800000000 ] - [ 0.0008271500000000, 0.0000519800000000, -0.0001046000000000 ] - [ -0.0008952000000000, 0.0002500400000000, -0.0010713500000000 ] - [ 0.0017288700000000, -0.0001486500000000, 0.0010365500000000 ] - [ -0.0014578800000000, -0.0000872400000000, -0.0010687600000000 ] - [ 0.0006086900000000, -0.0002014000000000, 0.0006134200000000 ] - [ -0.0007613600000000, -0.0008580400000000, -0.0006919400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012304100000000, 0.0060094500000000, -0.0032325300000000 ] - [ -0.0000138100000000, 0.0003958700000000, -0.0000226500000000 ] - [ -0.0003921200000000, 0.0084352200000000, 0.0045835700000000 ] - [ 0.0000270400000000, 0.0001916500000000, -0.0000210900000000 ] - [ 0.0000520300000000, 0.0011713900000000, 0.0002386000000000 ] - [ 0.0001783000000000, -0.0000973100000000, 0.0000885900000000 ] - [ 0.0005422000000000, 0.0003916800000000, -0.0015208700000000 ] - [ 0.0000645900000000, -0.0004463200000000, -0.0000044500000000 ] - [ 0.0041128700000000, 0.0064962200000000, -0.0005005800000000 ] - [ 0.0001128500000000, -0.0001022100000000, 0.0001876300000000 ] - [ -0.0006593500000000, 0.0001185000000000, 0.0009755700000000 ] - [ -0.0000011600000000, -0.0002258500000000, -0.0000105800000000 ] - [ -0.0009632500000000, -0.0025852100000000, 0.0026804500000000 ] - [ 0.0004075600000000, -0.0000552800000000, -0.0001582600000000 ] - [ 0.0002092200000000, 0.0014293300000000, -0.0000134700000000 ] - [ 0.0001592200000000, 0.0001903600000000, 0.0000573200000000 ] - [ -0.0012938200000000, 0.0029353500000000, -0.0005139700000000 ] - [ 0.0007411800000000, 0.0003802600000000, 0.0001173100000000 ] - [ -0.0005245300000000, 0.0005592900000000, 0.0011406200000000 ] - [ 0.0002401400000000, 0.0001679300000000, 0.0003851000000000 ] - [ 0.0001297900000000, 0.0007018100000000, -0.0003234800000000 ] - [ 0.0000931300000000, 0.0001191200000000, 0.0002210700000000 ] - [ -0.0009890400000000, -0.0019556000000000, -0.0002586900000000 ] - [ -0.0001802400000000, 0.0001788800000000, -0.0006488300000000 ] - [ 0.0004084500000000, -0.0027931100000000, -0.0035099000000000 ] - [ 0.0001966500000000, -0.0001000600000000, -0.0001757800000000 ] - [ 0.0004612900000000, 0.0009370500000000, 0.0005406000000000 ] - [ 0.0002073100000000, 0.0005424200000000, 0.0003391200000000 ] - [ 0.0013758900000000, -0.0006154500000000, 0.0005673700000000 ] - [ 0.0003842800000000, -0.0004056000000000, 0.0002228500000000 ] - [ 0.0004060700000000, -0.0004303200000000, -0.0002955200000000 ] - [ -0.0009184100000000, -0.0003072900000000, -0.0004375200000000 ] - [ 0.0024385200000000, 0.0023704100000000, 0.0030037100000000 ] - [ 0.0000276000000000, -0.0000365200000000, 0.0002679000000000 ] - [ 0.0003436200000000, 0.0002591700000000, -0.0000721800000000 ] - [ -0.0012040800000000, 0.0001045500000000, -0.0004952100000000 ] - [ -0.0000952200000000, -0.0006230800000000, -0.0002957500000000 ] - [ -0.0003295400000000, -0.0004646500000000, -0.0000381100000000 ] - [ -0.0001147300000000, 0.0003754600000000, 0.0001867100000000 ] - [ -0.0004775500000000, 0.0005264400000000, 0.0000480400000000 ] - [ 0.0006798300000000, 0.0003566200000000, 0.0004468600000000 ] - [ 0.0000838600000000, -0.0002561300000000, 0.0003000900000000 ] - [ -0.0006673800000000, 0.0000925800000000, -0.0001351800000000 ] - [ 0.0016746600000000, 0.0013974900000000, -0.0009590800000000 ] - [ -0.0001849600000000, 0.0001490100000000, -0.0002337000000000 ] - [ 0.0002096500000000, 0.0005366300000000, 0.0003902100000000 ] - [ -0.0007154200000000, 0.0001481800000000, -0.0008540800000000 ] - [ -0.0005623700000000, -0.0001128000000000, -0.0002320200000000 ] - [ -0.0003959500000000, -0.0002734800000000, -0.0000878200000000 ] - [ 0.0013506000000000, -0.0030248000000000, -0.0026503200000000 ] - [ -0.0000352200000000, 0.0000691100000000, 0.0002491800000000 ] - [ -0.0005722700000000, 0.0004673900000000, 0.0001540100000000 ] - [ 0.0000962100000000, 0.0000633000000000, 0.0000486900000000 ] - [ -0.0048853500000000, 0.0051616200000000, 0.0010132200000000 ] - [ 0.0000880900000000, -0.0001019200000000, -0.0001322900000000 ] - [ -0.0010027100000000, -0.0004961300000000, -0.0008380900000000 ] - [ 0.0000669200000000, 0.0002898800000000, 0.0000609700000000 ] - [ -0.0033778600000000, 0.0042864100000000, -0.0035314900000000 ] - [ -0.0001337000000000, 0.0000842400000000, -0.0000795600000000 ] - [ -0.0001147900000000, -0.0018900100000000, 0.0039613300000000 ] - [ 0.0000050500000000, -0.0000380900000000, -0.0000288300000000 ] - [ 0.0001336200000000, 0.0003958000000000, 0.0006256700000000 ] - [ -0.0001853800000000, -0.0001681700000000, -0.0000607300000000 ] - [ 0.0003675400000000, 0.0000458100000000, -0.0003825300000000 ] - [ 0.0169437400000000, -0.2331385300000000, 0.0110144700000000 ] - [ 0.0002038100000000, -0.0006163300000000, -0.0001805100000000 ] - [ 0.0000160000000000, -0.0021659200000000, -0.0003560500000000 ] - [ 0.0001756900000000, 0.0004736800000000, -0.0001386700000000 ] - [ 0.0007143700000000, 0.0028851600000000, 0.0002829900000000 ] - [ 0.0001330700000000, -0.0004541500000000, 0.0000577600000000 ] - [ 0.0003194900000000, 0.0023788000000000, 0.0001874800000000 ] - [ 0.0001884900000000, 0.0007299400000000, 0.0001760500000000 ] - [ -0.0005027700000000, -0.0013332300000000, 0.0000010500000000 ] - [ 0.0060955800000000, -0.0065202700000000, 0.0021997800000000 ] - [ 0.0000015800000000, -0.0000981500000000, -0.0010044700000000 ] - [ -0.0006371200000000, 0.0000384400000000, -0.0003144700000000 ] - [ -0.0001449900000000, -0.0002461000000000, 0.0002623900000000 ] - [ -0.0006755300000000, 0.0021778800000000, -0.0001779500000000 ] - [ -0.0001934100000000, 0.0006234200000000, 0.0001782300000000 ] - [ -0.0003331000000000, 0.0020012500000000, 0.0000397600000000 ] - [ -0.0063717400000000, 0.0532738800000000, 0.0349558100000000 ] - [ 0.0001036300000000, 0.0004754000000000, -0.0001913200000000 ] - [ -0.0001668900000000, -0.0027890900000000, -0.0004049700000000 ] - [ -0.0002692500000000, 0.0001248600000000, -0.0003186800000000 ] - [ 0.0149918500000000, 0.0532144100000000, -0.0373788200000000 ] - [ -0.0002917600000000, 0.0001808700000000, 0.0003259500000000 ] - [ 0.0006110100000000, 0.0009511200000000, -0.0018613400000000 ] - [ -0.0000335200000000, -0.0003670500000000, -0.0003003400000000 ] - [ -0.0384568600000000, 0.0752081900000000, -0.0136581100000000 ] - [ 0.0004301800000000, -0.0001235900000000, 0.0001355500000000 ] - [ -0.0002644000000000, -0.0012584100000000, -0.0002953000000000 ] - [ -0.0002848100000000, -0.0003098400000000, -0.0003261200000000 ] - [ -0.0007982800000000, 0.0012792500000000, 0.0021383600000000 ] - [ -0.0000936900000000, -0.0000295000000000, 0.0003411800000000 ] - [ 0.0000672800000000, -0.0031527500000000, 0.0003738800000000 ] - [ -0.0002610600000000, -0.0000679200000000, 0.0005334700000000 ] - [ -0.0000431400000000, 0.0025214400000000, -0.0000863400000000 ] - [ 0.0005119100000000, 0.0002927800000000, -0.0000106500000000 ] - [ -0.0003506900000000, -0.0029712500000000, -0.0000372200000000 ] - [ 0.0006773600000000, -0.0000835700000000, 0.0004069500000000 ] - [ -0.0012912900000000, -0.0014145500000000, 0.0002842600000000 ] - [ -0.0000376900000000, 0.0001556400000000, -0.0001679800000000 ] - [ -0.0005401300000000, -0.0016968000000000, -0.0005846600000000 ] - [ -0.0001118500000000, -0.0001522900000000, 0.0004291400000000 ] - [ 0.0001156500000000, -0.0013152500000000, 0.0001032300000000 ] - [ 0.0005587400000000, -0.0002373400000000, 0.0002624000000000 ] - [ 0.0011022200000000, 0.0003499400000000, 0.0014731100000000 ] - [ 0.0000652100000000, 0.0005515400000000, 0.0007354200000000 ] - [ 0.0001700900000000, -0.0030783500000000, 0.0002258300000000 ] - [ -0.0000506200000000, -0.0002937600000000, -0.0001510400000000 ] - [ 0.0002142700000000, 0.0005819300000000, -0.0010878600000000 ] - [ -0.0032997900000000, -0.0002697300000000, -0.0014328000000000 ] - [ 0.0006029600000000, 0.0013126500000000, -0.0010106900000000 ] - [ -0.0007507400000000, 0.0041802200000000, 0.0015592800000000 ] - [ -0.0001889200000000, 0.0004118400000000, -0.0001524200000000 ] - [ 0.0004886800000000, 0.0032532900000000, -0.0017251100000000 ] - [ -0.0011780800000000, 0.0012816900000000, 0.0003061300000000 ] - [ -0.0001707600000000, 0.0004535900000000, -0.0001325400000000 ] - [ -0.0007905000000000, -0.0003814800000000, -0.0001797100000000 ] - [ 0.0002462500000000, -0.0024718900000000, 0.0003107800000000 ] - [ 0.0000760900000000, -0.0000045500000000, -0.0001344300000000 ] - [ 0.0004756300000000, 0.0001294400000000, -0.0007612700000000 ] - [ 0.0003009900000000, -0.0002838600000000, -0.0003888800000000 ] - [ -0.0003684500000000, -0.0023094200000000, -0.0004710300000000 ] - [ 0.0003745900000000, 0.0003913400000000, 0.0003007600000000 ] - [ 0.0127483400000000, 0.0323732100000000, 0.0038237200000000 ] - [ -0.0006068000000000, -0.0001513800000000, -0.0000554400000000 ] - [ -0.0001313900000000, -0.0009351200000000, 0.0000589400000000 ] - [ -0.0000797900000000, 0.0001379100000000, 0.0002208900000000 ] - [ -0.0009594800000000, -0.0022810200000000, 0.0000560100000000 ] - [ 0.0000908600000000, -0.0000238500000000, -0.0003434600000000 ] - [ 0.0007826100000000, -0.0014312000000000, 0.0006529100000000 ] - [ 0.0002941500000000, 0.0000372300000000, 0.0004855500000000 ] - [ 0.0006541500000000, 0.0010616700000000, 0.0004780600000000 ] - [ -0.0001936300000000, -0.0003732800000000, 0.0001787800000000 ] - [ 0.0010603900000000, -0.0015896100000000, -0.0000828900000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011449200000000, -0.0052469200000000, 0.0031547100000000 ] - [ 0.0000995200000000, 0.0003059900000000, -0.0000130700000000 ] - [ 0.0003581900000000, -0.0080541400000000, -0.0045606100000000 ] - [ -0.0000385000000000, 0.0000814100000000, -0.0000164900000000 ] - [ 0.0002758700000000, -0.0014606700000000, -0.0000886000000000 ] - [ 0.0001531400000000, -0.0001928200000000, 0.0000576200000000 ] - [ -0.0004693300000000, -0.0010995800000000, 0.0015121100000000 ] - [ 0.0000211100000000, -0.0002556500000000, -0.0000312200000000 ] - [ -0.0039001500000000, -0.0066457200000000, 0.0009345100000000 ] - [ 0.0001604300000000, 0.0000228300000000, 0.0002248200000000 ] - [ 0.0006524600000000, -0.0003945300000000, -0.0010343200000000 ] - [ -0.0000098600000000, -0.0000473700000000, -0.0000268900000000 ] - [ 0.0014742300000000, 0.0026912800000000, -0.0030470700000000 ] - [ 0.0000964000000000, 0.0001760600000000, -0.0001960300000000 ] - [ 0.0001208700000000, -0.0011377000000000, 0.0001545300000000 ] - [ 0.0001722300000000, 0.0000996500000000, 0.0000888100000000 ] - [ 0.0023857200000000, -0.0023662500000000, 0.0009888300000000 ] - [ 0.0003853600000000, 0.0001700300000000, 0.0003696500000000 ] - [ 0.0007774900000000, -0.0006094100000000, -0.0005083100000000 ] - [ 0.0000182800000000, -0.0002181000000000, 0.0002479100000000 ] - [ 0.0001402100000000, -0.0006212500000000, 0.0007332100000000 ] - [ 0.0001798400000000, -0.0000397700000000, 0.0001914500000000 ] - [ 0.0003616400000000, 0.0026436300000000, -0.0004747300000000 ] - [ -0.0004543400000000, 0.0005102700000000, -0.0000861400000000 ] - [ 0.0000945600000000, 0.0026542400000000, 0.0031720700000000 ] - [ 0.0003071300000000, -0.0000202300000000, -0.0001787900000000 ] - [ 0.0001713100000000, -0.0002489800000000, 0.0001950300000000 ] - [ 0.0004304600000000, 0.0001455500000000, 0.0003968800000000 ] - [ -0.0002483800000000, 0.0000667300000000, -0.0000806100000000 ] - [ 0.0007425000000000, -0.0001449400000000, 0.0002644800000000 ] - [ -0.0006623900000000, 0.0003836400000000, -0.0003366800000000 ] - [ 0.0006621000000000, 0.0002595800000000, -0.0001973100000000 ] - [ -0.0021975500000000, -0.0023302500000000, -0.0023980000000000 ] - [ 0.0002306300000000, 0.0000861500000000, 0.0003649300000000 ] - [ -0.0014693900000000, 0.0002945400000000, -0.0004137900000000 ] - [ 0.0000824700000000, 0.0004463100000000, 0.0000105200000000 ] - [ -0.0005397100000000, -0.0000662500000000, -0.0004395700000000 ] - [ -0.0003049600000000, -0.0002235100000000, -0.0006974500000000 ] - [ -0.0003894000000000, -0.0002558100000000, 0.0001677500000000 ] - [ -0.0000227800000000, -0.0004065700000000, 0.0003053100000000 ] - [ -0.0000458700000000, -0.0010445400000000, 0.0002870100000000 ] - [ 0.0005519100000000, -0.0004323300000000, 0.0004356100000000 ] - [ 0.0003974800000000, -0.0001733700000000, -0.0002773200000000 ] - [ -0.0019307800000000, -0.0014775600000000, 0.0005481500000000 ] - [ -0.0000723500000000, -0.0001012100000000, -0.0003988900000000 ] - [ -0.0004637800000000, -0.0004910400000000, -0.0010212200000000 ] - [ -0.0004107200000000, -0.0007020100000000, 0.0003693500000000 ] - [ -0.0005622800000000, -0.0004383900000000, -0.0002539900000000 ] - [ 0.0000666500000000, -0.0000164300000000, -0.0000578900000000 ] - [ -0.0017000400000000, 0.0027141600000000, 0.0025239900000000 ] - [ -0.0004681200000000, -0.0001891300000000, 0.0001055700000000 ] - [ 0.0000709700000000, -0.0005881400000000, 0.0002037500000000 ] - [ -0.0000837800000000, 0.0002107800000000, -0.0000106100000000 ] - [ 0.0049514300000000, -0.0049347600000000, -0.0010044500000000 ] - [ -0.0003594400000000, 0.0001825200000000, -0.0002794100000000 ] - [ 0.0007282100000000, 0.0005775400000000, 0.0004265900000000 ] - [ -0.0001510000000000, 0.0004129700000000, -0.0000249700000000 ] - [ 0.0033234100000000, -0.0036202600000000, 0.0036185400000000 ] - [ -0.0001962400000000, 0.0002059000000000, -0.0000660500000000 ] - [ -0.0002153400000000, 0.0021571300000000, -0.0041182300000000 ] - [ 0.0000071500000000, -0.0002361900000000, 0.0000669800000000 ] - [ -0.0001207200000000, -0.0006691100000000, -0.0005840600000000 ] - [ 0.0001015500000000, -0.0005349100000000, 0.0000971900000000 ] - [ -0.0004499700000000, -0.0007484400000000, 0.0004168000000000 ] - [ -0.0136023700000000, 0.2306605900000000, -0.0102132500000000 ] - [ 0.0002569900000000, -0.0004003500000000, -0.0001131700000000 ] - [ 0.0004418300000000, 0.0031679900000000, 0.0000607200000000 ] - [ 0.0002850300000000, 0.0005433500000000, -0.0001555500000000 ] - [ -0.0003175700000000, -0.0042007100000000, 0.0000386600000000 ] - [ 0.0002743200000000, -0.0008589400000000, 0.0002684000000000 ] - [ 0.0000838800000000, -0.0010638200000000, 0.0001386800000000 ] - [ 0.0002189800000000, 0.0005825000000000, 0.0001504900000000 ] - [ 0.0000999600000000, 0.0000215600000000, -0.0003258700000000 ] - [ -0.0064996200000000, 0.0052325700000000, -0.0025231900000000 ] - [ -0.0004044500000000, 0.0014106600000000, 0.0006823200000000 ] - [ 0.0002291700000000, 0.0012718600000000, -0.0000119400000000 ] - [ -0.0003121800000000, -0.0007711700000000, 0.0000318400000000 ] - [ 0.0002197900000000, -0.0031947700000000, 0.0004706300000000 ] - [ -0.0002644100000000, 0.0003943200000000, 0.0001161000000000 ] - [ -0.0001277800000000, -0.0009843800000000, 0.0002546800000000 ] - [ 0.0067696100000000, -0.0536077500000000, -0.0374666100000000 ] - [ -0.0000035600000000, 0.0001975300000000, -0.0003020300000000 ] - [ -0.0003695200000000, 0.0032192300000000, -0.0002330600000000 ] - [ -0.0002729200000000, 0.0002952700000000, -0.0003225400000000 ] - [ -0.0161660200000000, -0.0538790900000000, 0.0397556500000000 ] - [ -0.0001403100000000, -0.0001350500000000, 0.0003258300000000 ] - [ -0.0005037800000000, -0.0016158600000000, 0.0013599600000000 ] - [ 0.0001340600000000, -0.0003064000000000, -0.0001921500000000 ] - [ 0.0364655500000000, -0.0725059800000000, 0.0127501400000000 ] - [ 0.0005801000000000, -0.0002118700000000, -0.0000000800000000 ] - [ -0.0002731500000000, 0.0008366000000000, -0.0003451200000000 ] - [ -0.0002576400000000, -0.0001098800000000, -0.0003155200000000 ] - [ 0.0003665900000000, -0.0013181200000000, -0.0014759200000000 ] - [ -0.0003389900000000, -0.0000164700000000, 0.0003107500000000 ] - [ -0.0005040000000000, 0.0035014000000000, 0.0005545100000000 ] - [ -0.0001910000000000, 0.0004167500000000, 0.0003903200000000 ] - [ 0.0010564300000000, -0.0021765100000000, 0.0002229100000000 ] - [ 0.0004979200000000, 0.0000417400000000, 0.0001462900000000 ] - [ 0.0012758300000000, 0.0029874700000000, 0.0006272700000000 ] - [ 0.0002378000000000, 0.0001002100000000, 0.0001753000000000 ] - [ 0.0010768800000000, 0.0016833300000000, -0.0007142800000000 ] - [ -0.0001810500000000, 0.0001179000000000, -0.0002574600000000 ] - [ 0.0000886300000000, 0.0013437600000000, 0.0015092600000000 ] - [ -0.0003400500000000, -0.0001952900000000, 0.0004945600000000 ] - [ 0.0008038700000000, 0.0012985400000000, 0.0004795700000000 ] - [ 0.0003565900000000, 0.0002214500000000, 0.0003188300000000 ] - [ -0.0008894200000000, -0.0000758100000000, -0.0010522700000000 ] - [ 0.0001513500000000, -0.0002747500000000, -0.0003097700000000 ] - [ -0.0003749500000000, 0.0028051100000000, -0.0006457300000000 ] - [ -0.0001672800000000, 0.0000205500000000, -0.0002738200000000 ] - [ -0.0011360900000000, -0.0005659300000000, 0.0005068200000000 ] - [ 0.0024004500000000, 0.0002914200000000, 0.0008564500000000 ] - [ -0.0001555900000000, -0.0009670500000000, 0.0000859000000000 ] - [ 0.0011933000000000, -0.0038432300000000, -0.0024837900000000 ] - [ 0.0004040300000000, -0.0006866500000000, 0.0005767500000000 ] - [ -0.0002757100000000, -0.0035371100000000, 0.0021469400000000 ] - [ 0.0002579600000000, -0.0012981100000000, -0.0008919400000000 ] - [ -0.0007469100000000, -0.0004700300000000, -0.0004499500000000 ] - [ -0.0002217500000000, 0.0000440200000000, 0.0000433200000000 ] - [ -0.0012643600000000, 0.0021400200000000, -0.0004486500000000 ] - [ 0.0003735500000000, -0.0003416800000000, -0.0007915100000000 ] - [ -0.0000247600000000, -0.0004746100000000, -0.0001633100000000 ] - [ 0.0001288400000000, 0.0003319400000000, -0.0002629500000000 ] - [ 0.0007915700000000, 0.0023535600000000, -0.0001781000000000 ] - [ 0.0001636200000000, 0.0000285700000000, 0.0003393600000000 ] - [ -0.0116259100000000, -0.0317656200000000, -0.0030024100000000 ] - [ -0.0004043000000000, 0.0004874000000000, -0.0000805600000000 ] - [ -0.0008814300000000, 0.0012712700000000, -0.0001958500000000 ] - [ -0.0000223700000000, 0.0005356300000000, 0.0002723900000000 ] - [ 0.0008495300000000, 0.0029474200000000, 0.0004312400000000 ] - [ 0.0003388100000000, -0.0000239500000000, -0.0003083400000000 ] - [ -0.0003459400000000, 0.0013820800000000, -0.0013115100000000 ] - [ 0.0002439900000000, -0.0004573600000000, 0.0001539300000000 ] - [ -0.0001118100000000, -0.0014776400000000, 0.0001631900000000 ] - [ 0.0000913100000000, -0.0003012600000000, 0.0003137400000000 ] - [ -0.0011600200000000, 0.0009129500000000, 0.0005826600000000 ]- atom: 65 displacement: [ -0.0030577532044204, 0.0000000000000000, 0.0095210369887348 ] forces: - [ 0.0000909400000000, -0.0028316500000000, 0.0001941400000000 ] - [ 0.0000211100000000, 0.0003570300000000, -0.0000318600000000 ] - [ 0.0001859300000000, 0.0045722700000000, 0.0000984500000000 ] - [ -0.0000396800000000, 0.0001441100000000, -0.0000108800000000 ] - [ 0.0001874300000000, -0.0008800600000000, 0.0000852400000000 ] - [ 0.0001695400000000, -0.0001452100000000, 0.0000937600000000 ] - [ -0.0013373600000000, -0.0024113400000000, 0.0039161900000000 ] - [ 0.0001128900000000, -0.0003491400000000, 0.0000058000000000 ] - [ 0.0000994400000000, -0.0025283200000000, -0.0034239500000000 ] - [ 0.0000876300000000, -0.0000233000000000, 0.0001710200000000 ] - [ -0.0013913900000000, 0.0008673500000000, 0.0034442700000000 ] - [ 0.0000757500000000, -0.0001380200000000, -0.0000104000000000 ] - [ -0.0078625900000000, 0.0030536500000000, 0.0041444300000000 ] - [ 0.0002937800000000, 0.0000520900000000, -0.0002710800000000 ] - [ 0.0000167400000000, 0.0011912700000000, 0.0002489600000000 ] - [ 0.0001887600000000, 0.0001448500000000, 0.0000593600000000 ] - [ 0.0006730900000000, 0.0002909200000000, -0.0000834100000000 ] - [ 0.0005011800000000, 0.0002129800000000, 0.0002148000000000 ] - [ -0.0000646300000000, 0.0003788900000000, 0.0003081200000000 ] - [ 0.0001700700000000, -0.0000243500000000, 0.0002892000000000 ] - [ 0.0000447100000000, -0.0000542400000000, 0.0005736800000000 ] - [ 0.0001815500000000, 0.0000445900000000, 0.0002266300000000 ] - [ 0.0001187100000000, 0.0004413300000000, -0.0022805800000000 ] - [ -0.0006794600000000, 0.0002487300000000, -0.0004214300000000 ] - [ 0.0040868100000000, -0.0031368000000000, 0.0081923300000000 ] - [ 0.0002454700000000, -0.0000652500000000, -0.0001027700000000 ] - [ 0.0001234000000000, 0.0001269600000000, 0.0002213600000000 ] - [ 0.0003433200000000, 0.0003473000000000, 0.0002804600000000 ] - [ 0.0001031000000000, -0.0004006500000000, 0.0014907600000000 ] - [ 0.0008260600000000, -0.0003581300000000, 0.0003574100000000 ] - [ 0.0005002700000000, 0.0000492900000000, -0.0006935800000000 ] - [ -0.0010168400000000, 0.0001144000000000, 0.0000819200000000 ] - [ 0.0019025400000000, 0.0026206200000000, 0.0007973700000000 ] - [ 0.0000602700000000, 0.0000286300000000, 0.0003827500000000 ] - [ -0.0014406700000000, -0.0001190500000000, -0.0003481500000000 ] - [ -0.0003877200000000, 0.0002882400000000, -0.0008512700000000 ] - [ -0.0006572100000000, -0.0003004100000000, 0.0005602000000000 ] - [ 0.0000287400000000, -0.0002373000000000, -0.0002415500000000 ] - [ -0.0001635600000000, 0.0000974500000000, 0.0000448200000000 ] - [ -0.0005174700000000, 0.0003579700000000, 0.0001469100000000 ] - [ 0.0006726200000000, 0.0002534500000000, 0.0005761200000000 ] - [ 0.0003033700000000, -0.0003543700000000, 0.0005020200000000 ] - [ -0.0001517100000000, 0.0000568600000000, -0.0003382800000000 ] - [ -0.0006721700000000, -0.0006033700000000, -0.0006346400000000 ] - [ -0.0002479200000000, 0.0000766100000000, -0.0001812000000000 ] - [ 0.0000770200000000, 0.0001386000000000, -0.0005068100000000 ] - [ -0.0004653800000000, -0.0003564000000000, -0.0002111700000000 ] - [ -0.0005689500000000, -0.0002709500000000, -0.0001168100000000 ] - [ -0.0000790200000000, -0.0001293800000000, -0.0002374600000000 ] - [ -0.0101171100000000, -0.0031717800000000, 0.0065459100000000 ] - [ -0.0003061700000000, -0.0000466600000000, 0.0003361700000000 ] - [ 0.0000581900000000, -0.0004476800000000, 0.0002604600000000 ] - [ -0.0000138000000000, 0.0001059300000000, -0.0000761200000000 ] - [ -0.0016220700000000, 0.0036307100000000, -0.0020604200000000 ] - [ 0.0000236000000000, 0.0001395600000000, 0.0001160600000000 ] - [ 0.0003765800000000, 0.0000164800000000, 0.0013213200000000 ] - [ -0.0001473000000000, 0.0003293700000000, 0.0000899300000000 ] - [ 0.0021848500000000, -0.0027695800000000, -0.0006794700000000 ] - [ -0.0002137800000000, 0.0001580000000000, 0.0000837500000000 ] - [ 0.0038755300000000, 0.0040549900000000, 0.0103083300000000 ] - [ 0.0000252100000000, -0.0001498800000000, 0.0000690300000000 ] - [ 0.0000266800000000, 0.0001657300000000, 0.0003214100000000 ] - [ 0.0000182300000000, -0.0003622200000000, -0.0000208700000000 ] - [ -0.0002297900000000, -0.0005997200000000, 0.0002377600000000 ] - [ 0.0763244600000000, 0.0086728500000000, -0.2447865100000000 ] - [ 0.0000166500000000, -0.0005325600000000, -0.0001915500000000 ] - [ -0.0007241200000000, 0.0006356100000000, 0.0032131100000000 ] - [ 0.0005096500000000, 0.0004838500000000, -0.0000793700000000 ] - [ 0.0003197200000000, -0.0006781400000000, -0.0004914400000000 ] - [ 0.0001051100000000, -0.0005923100000000, 0.0001432600000000 ] - [ -0.0005335800000000, 0.0006208500000000, 0.0023055700000000 ] - [ 0.0003385000000000, 0.0006302800000000, 0.0001783200000000 ] - [ -0.0007788300000000, -0.0008908300000000, -0.0001825300000000 ] - [ 0.0007364100000000, -0.0003009500000000, -0.0017671900000000 ] - [ 0.0005589100000000, -0.0002449400000000, 0.0000339800000000 ] - [ -0.0006737300000000, 0.0006115900000000, 0.0011133100000000 ] - [ -0.0003392500000000, -0.0005919900000000, 0.0001035800000000 ] - [ -0.0001558000000000, -0.0003360800000000, -0.0003563400000000 ] - [ -0.0001025800000000, 0.0005273900000000, 0.0002286700000000 ] - [ -0.0008751200000000, 0.0004393300000000, 0.0021648000000000 ] - [ -0.0179273700000000, 0.0344643000000000, 0.0771185700000000 ] - [ 0.0001261700000000, 0.0003487600000000, -0.0002053000000000 ] - [ -0.0008004300000000, 0.0000725400000000, 0.0008528600000000 ] - [ -0.0001627900000000, 0.0002123000000000, -0.0002869100000000 ] - [ -0.0349927000000000, -0.0427865700000000, 0.0910299700000000 ] - [ -0.0001155700000000, 0.0000356000000000, 0.0003192000000000 ] - [ 0.0009099700000000, -0.0018855300000000, -0.0029660400000000 ] - [ -0.0000333100000000, -0.0003242200000000, -0.0002946500000000 ] - [ -0.0073846700000000, -0.0017596900000000, 0.0281261300000000 ] - [ 0.0006765800000000, -0.0001745100000000, 0.0001119000000000 ] - [ 0.0001519800000000, -0.0001960900000000, -0.0011640700000000 ] - [ -0.0004257500000000, -0.0002146700000000, -0.0003711700000000 ] - [ 0.0007676800000000, 0.0014460900000000, -0.0024869100000000 ] - [ -0.0003277100000000, -0.0000142900000000, 0.0003342700000000 ] - [ -0.0002373600000000, 0.0000841500000000, 0.0010373300000000 ] - [ -0.0001986800000000, 0.0001751600000000, 0.0005069600000000 ] - [ 0.0016929500000000, 0.0001197100000000, -0.0036896900000000 ] - [ 0.0002605100000000, 0.0001094300000000, -0.0000104100000000 ] - [ 0.0002415100000000, -0.0003035800000000, 0.0026891600000000 ] - [ 0.0006236000000000, -0.0000892300000000, 0.0003239300000000 ] - [ 0.0013600200000000, 0.0017734900000000, -0.0017538700000000 ] - [ -0.0002050600000000, 0.0001773100000000, -0.0001519100000000 ] - [ 0.0001719700000000, -0.0016439200000000, -0.0021911700000000 ] - [ -0.0003308900000000, -0.0000974100000000, 0.0003609600000000 ] - [ 0.0007111700000000, 0.0000196100000000, -0.0004058400000000 ] - [ 0.0003184900000000, -0.0000010200000000, 0.0002740600000000 ] - [ -0.0001382900000000, 0.0003899100000000, 0.0005315800000000 ] - [ 0.0010521900000000, 0.0006314500000000, -0.0003917800000000 ] - [ -0.0003337100000000, -0.0000935900000000, 0.0000958700000000 ] - [ -0.0000847600000000, -0.0001510300000000, -0.0002686300000000 ] - [ 0.0007647000000000, -0.0003919400000000, 0.0000311300000000 ] - [ -0.0002661700000000, -0.0000900200000000, -0.0000225400000000 ] - [ 0.0006800900000000, 0.0001771300000000, 0.0001447400000000 ] - [ 0.0017057800000000, 0.0010928400000000, 0.0019069100000000 ] - [ 0.0005041700000000, -0.0000967500000000, -0.0001491500000000 ] - [ -0.0025284800000000, -0.0010543700000000, 0.0010495000000000 ] - [ -0.0022577900000000, 0.0006502800000000, -0.0009507500000000 ] - [ -0.0003210600000000, -0.0000674900000000, -0.0009859600000000 ] - [ -0.0003008900000000, -0.0000003500000000, 0.0000223300000000 ] - [ -0.0008591900000000, -0.0003257800000000, 0.0018027100000000 ] - [ 0.0001066000000000, 0.0001222700000000, -0.0008806400000000 ] - [ -0.0002297800000000, -0.0006308100000000, -0.0016727100000000 ] - [ 0.0002303100000000, 0.0000114900000000, -0.0002291600000000 ] - [ 0.0002658500000000, 0.0000358900000000, 0.0000705500000000 ] - [ 0.0006472700000000, 0.0002127100000000, 0.0004237200000000 ] - [ -0.0076140400000000, -0.0003174000000000, 0.0234295000000000 ] - [ -0.0006612300000000, 0.0001495000000000, -0.0001358900000000 ] - [ -0.0003279500000000, 0.0001844000000000, -0.0007530100000000 ] - [ 0.0000270100000000, 0.0003362600000000, 0.0002082900000000 ] - [ -0.0003134000000000, 0.0001721600000000, 0.0006411800000000 ] - [ 0.0001334700000000, -0.0000846200000000, -0.0004669100000000 ] - [ 0.0000540200000000, 0.0015342200000000, -0.0024779000000000 ] - [ -0.0002478600000000, -0.0000756100000000, 0.0001386600000000 ] - [ 0.0010214300000000, -0.0002427300000000, -0.0021986900000000 ] - [ -0.0002527800000000, -0.0004256800000000, 0.0002324100000000 ] - [ 0.0012604400000000, -0.0015459800000000, -0.0014468300000000 ]- atom: 65 displacement: [ 0.0030577532044204, 0.0000000000000000, -0.0095210369887348 ] forces: - [ -0.0000059800000000, 0.0035606100000000, -0.0002212900000000 ] - [ 0.0000646600000000, 0.0003454600000000, -0.0000037800000000 ] - [ -0.0001865500000000, -0.0042699200000000, -0.0001481600000000 ] - [ 0.0000278900000000, 0.0001295000000000, -0.0000266400000000 ] - [ 0.0001425800000000, 0.0005928300000000, 0.0000592900000000 ] - [ 0.0001615500000000, -0.0001447300000000, 0.0000525300000000 ] - [ 0.0014084000000000, 0.0016829500000000, -0.0039173000000000 ] - [ -0.0000274100000000, -0.0003534600000000, -0.0000415800000000 ] - [ 0.0001733300000000, 0.0024489000000000, 0.0038275700000000 ] - [ 0.0001850500000000, -0.0000563600000000, 0.0002414100000000 ] - [ 0.0013848700000000, -0.0011614300000000, -0.0035031400000000 ] - [ -0.0000866000000000, -0.0001360100000000, -0.0000269700000000 ] - [ 0.0082534100000000, -0.0029160500000000, -0.0044489600000000 ] - [ 0.0002096500000000, 0.0000685100000000, -0.0000834800000000 ] - [ 0.0003118700000000, -0.0008966200000000, -0.0001018700000000 ] - [ 0.0001429100000000, 0.0001453500000000, 0.0000867800000000 ] - [ 0.0004419200000000, 0.0002693400000000, 0.0005667800000000 ] - [ 0.0006250300000000, 0.0003387000000000, 0.0002734800000000 ] - [ 0.0003199200000000, -0.0004222500000000, 0.0003209400000000 ] - [ 0.0000875700000000, -0.0000250800000000, 0.0003433800000000 ] - [ 0.0002242600000000, 0.0001401900000000, -0.0001612700000000 ] - [ 0.0000917600000000, 0.0000354700000000, 0.0001855100000000 ] - [ -0.0007528400000000, 0.0002410500000000, 0.0015457100000000 ] - [ 0.0000472900000000, 0.0004395900000000, -0.0003108600000000 ] - [ -0.0036526200000000, 0.0030367600000000, -0.0086586800000000 ] - [ 0.0002593700000000, -0.0000551300000000, -0.0002515000000000 ] - [ 0.0005120000000000, 0.0005629700000000, 0.0005128400000000 ] - [ 0.0002915200000000, 0.0003408200000000, 0.0004548200000000 ] - [ 0.0010236500000000, -0.0001546000000000, -0.0010043800000000 ] - [ 0.0003006300000000, -0.0001937500000000, 0.0001290000000000 ] - [ -0.0007543700000000, -0.0000980100000000, 0.0000628400000000 ] - [ 0.0007608500000000, -0.0001675200000000, -0.0007143900000000 ] - [ -0.0016612700000000, -0.0025847500000000, -0.0001681100000000 ] - [ 0.0001979000000000, 0.0000201300000000, 0.0002503600000000 ] - [ 0.0003178200000000, 0.0006700200000000, -0.0001392300000000 ] - [ -0.0007384300000000, 0.0002620500000000, 0.0003646300000000 ] - [ 0.0000169700000000, -0.0003888400000000, -0.0012973000000000 ] - [ -0.0006598300000000, -0.0004510100000000, -0.0004951200000000 ] - [ -0.0003382000000000, 0.0000233200000000, 0.0003102500000000 ] - [ 0.0000140200000000, -0.0002373800000000, 0.0002085000000000 ] - [ -0.0000375100000000, -0.0009401500000000, 0.0001603600000000 ] - [ 0.0003315700000000, -0.0003335400000000, 0.0002331800000000 ] - [ -0.0001195500000000, -0.0001360200000000, -0.0000748000000000 ] - [ 0.0004008300000000, 0.0005258600000000, 0.0002308400000000 ] - [ -0.0000104400000000, -0.0000263900000000, -0.0004517800000000 ] - [ -0.0003330200000000, -0.0000891600000000, -0.0001306500000000 ] - [ -0.0006610700000000, -0.0001930900000000, -0.0002736400000000 ] - [ -0.0005550200000000, -0.0002774400000000, -0.0003691000000000 ] - [ -0.0002507100000000, -0.0001610400000000, 0.0000918000000000 ] - [ 0.0099305000000000, 0.0029120700000000, -0.0067736600000000 ] - [ -0.0001964400000000, -0.0000728100000000, 0.0000189800000000 ] - [ -0.0005612000000000, 0.0003278200000000, 0.0000939800000000 ] - [ 0.0000268000000000, 0.0001674700000000, 0.0001141500000000 ] - [ 0.0016303500000000, -0.0033616900000000, 0.0021098600000000 ] - [ -0.0002954900000000, -0.0000611900000000, -0.0005274000000000 ] - [ -0.0006488800000000, 0.0000562000000000, -0.0017322300000000 ] - [ 0.0000631300000000, 0.0003726000000000, -0.0000541200000000 ] - [ -0.0022690500000000, 0.0034693100000000, 0.0007034400000000 ] - [ -0.0001173500000000, 0.0001319500000000, -0.0002298100000000 ] - [ -0.0041432500000000, -0.0037194800000000, -0.0103222400000000 ] - [ -0.0000134800000000, -0.0001234200000000, -0.0000310000000000 ] - [ -0.0000127600000000, -0.0004327600000000, -0.0002846800000000 ] - [ -0.0001025500000000, -0.0003396500000000, 0.0000572200000000 ] - [ 0.0001455900000000, -0.0000961200000000, -0.0001994500000000 ] - [ -0.0744187100000000, -0.0022110600000000, 0.2438933700000000 ] - [ 0.0004430600000000, -0.0004851300000000, -0.0001018700000000 ] - [ 0.0011807100000000, 0.0003694200000000, -0.0035103000000000 ] - [ -0.0000500900000000, 0.0005337800000000, -0.0002152100000000 ] - [ 0.0000843600000000, -0.0006295100000000, 0.0008171100000000 ] - [ 0.0003012600000000, -0.0007195800000000, 0.0001834200000000 ] - [ 0.0009385400000000, 0.0006978300000000, -0.0019806000000000 ] - [ 0.0000682400000000, 0.0006817500000000, 0.0001471700000000 ] - [ 0.0003729200000000, -0.0004269900000000, -0.0001461100000000 ] - [ -0.0011554600000000, -0.0010062800000000, 0.0014329400000000 ] - [ -0.0009657800000000, 0.0015591100000000, -0.0003568300000000 ] - [ 0.0002794300000000, 0.0007000400000000, -0.0014355900000000 ] - [ -0.0001173500000000, -0.0004238400000000, 0.0001902100000000 ] - [ -0.0003069000000000, -0.0006799600000000, 0.0006489100000000 ] - [ -0.0003550700000000, 0.0004903900000000, 0.0000661800000000 ] - [ 0.0004141700000000, 0.0005812700000000, -0.0018723000000000 ] - [ 0.0185605200000000, -0.0370497000000000, -0.0816838200000000 ] - [ -0.0000259500000000, 0.0003251300000000, -0.0002881300000000 ] - [ 0.0002632700000000, 0.0003448000000000, -0.0014921300000000 ] - [ -0.0003788800000000, 0.0002084800000000, -0.0003544500000000 ] - [ 0.0325332500000000, 0.0392116300000000, -0.0857524600000000 ] - [ -0.0003153300000000, 0.0000115200000000, 0.0003321400000000 ] - [ -0.0008010300000000, 0.0011960100000000, 0.0024654200000000 ] - [ 0.0001347700000000, -0.0003498200000000, -0.0001972000000000 ] - [ 0.0087754600000000, 0.0009121700000000, -0.0278405200000000 ] - [ 0.0003334200000000, -0.0001605200000000, 0.0000230600000000 ] - [ -0.0006901900000000, -0.0002302900000000, 0.0005240100000000 ] - [ -0.0001161800000000, -0.0002063400000000, -0.0002703400000000 ] - [ -0.0011997900000000, -0.0015115400000000, 0.0031528900000000 ] - [ -0.0001045300000000, -0.0000327300000000, 0.0003174300000000 ] - [ -0.0002124600000000, 0.0002615700000000, -0.0001092500000000 ] - [ -0.0002518700000000, 0.0001722200000000, 0.0004163900000000 ] - [ -0.0006783900000000, 0.0002326300000000, 0.0038272800000000 ] - [ 0.0007489100000000, 0.0002254700000000, 0.0001465000000000 ] - [ 0.0006760300000000, 0.0003126700000000, -0.0021056500000000 ] - [ 0.0002939900000000, 0.0001055500000000, 0.0002580300000000 ] - [ -0.0015794600000000, -0.0015034700000000, 0.0013316800000000 ] - [ -0.0000124000000000, 0.0000969000000000, -0.0002725100000000 ] - [ -0.0006227000000000, 0.0012935600000000, 0.0031113900000000 ] - [ -0.0001206900000000, -0.0002492900000000, 0.0005636000000000 ] - [ 0.0002075700000000, -0.0000410400000000, 0.0009889600000000 ] - [ 0.0005985200000000, -0.0000153600000000, 0.0003088300000000 ] - [ 0.0003534900000000, -0.0001163100000000, -0.0001113100000000 ] - [ -0.0008448500000000, -0.0003644400000000, 0.0008131200000000 ] - [ 0.0001202200000000, -0.0001831300000000, -0.0005229700000000 ] - [ -0.0001333600000000, -0.0001238600000000, -0.0001571700000000 ] - [ -0.0016753800000000, 0.0004067200000000, -0.0006080600000000 ] - [ -0.0006325500000000, 0.0001091700000000, -0.0005520700000000 ] - [ -0.0002348300000000, 0.0001726100000000, -0.0010667500000000 ] - [ -0.0012523800000000, -0.0007485700000000, -0.0028487400000000 ] - [ -0.0002874600000000, -0.0001743000000000, 0.0005751900000000 ] - [ 0.0027365800000000, 0.0007786400000000, -0.0006130000000000 ] - [ 0.0013475200000000, -0.0006606300000000, 0.0003649400000000 ] - [ -0.0006020800000000, 0.0000556300000000, 0.0004015400000000 ] - [ -0.0007132800000000, -0.0003371600000000, -0.0001587200000000 ] - [ -0.0001508500000000, -0.0000082900000000, -0.0019382800000000 ] - [ 0.0003461200000000, -0.0004707100000000, -0.0000450200000000 ] - [ 0.0006703600000000, 0.0002758500000000, 0.0007436400000000 ] - [ 0.0001989900000000, 0.0000349300000000, -0.0004222200000000 ] - [ 0.0001660700000000, 0.0000101300000000, -0.0007246300000000 ] - [ -0.0001069900000000, 0.0002095700000000, 0.0002178300000000 ] - [ 0.0078105800000000, 0.0005744800000000, -0.0228826700000000 ] - [ -0.0003505200000000, 0.0001845400000000, -0.0000010100000000 ] - [ -0.0006833100000000, 0.0001467300000000, 0.0006170800000000 ] - [ -0.0001289000000000, 0.0003353800000000, 0.0002856900000000 ] - [ 0.0002116800000000, 0.0005004600000000, -0.0001452000000000 ] - [ 0.0002961100000000, 0.0000375500000000, -0.0001850600000000 ] - [ 0.0003810800000000, -0.0015823300000000, 0.0018278200000000 ] - [ 0.0007883500000000, -0.0003453400000000, 0.0005018500000000 ] - [ -0.0004865000000000, -0.0001746200000000, 0.0028402400000000 ] - [ 0.0001492500000000, -0.0002482800000000, 0.0002593400000000 ] - [ -0.0013579300000000, 0.0008731600000000, 0.0019411600000000 ]- atom: 69 displacement: [ 0.0099997439015081, 0.0000000000000000, 0.0000715674804079 ] forces: - [ 0.0007003000000000, -0.0052770000000000, -0.0014238500000000 ] - [ 0.0005255400000000, 0.0004285100000000, 0.0000851100000000 ] - [ -0.0016594900000000, -0.0020222400000000, 0.0011553800000000 ] - [ 0.0004590400000000, 0.0002001000000000, 0.0000764200000000 ] - [ -0.0034575100000000, 0.0001104800000000, 0.0036651500000000 ] - [ 0.0007923200000000, -0.0001202500000000, 0.0002503000000000 ] - [ -0.0007045900000000, -0.0001477700000000, -0.0001507800000000 ] - [ 0.0004877500000000, -0.0003864700000000, 0.0001612600000000 ] - [ -0.0050447700000000, -0.0001705700000000, 0.0000941400000000 ] - [ 0.0007197100000000, 0.0000696500000000, 0.0003249200000000 ] - [ -0.0008216000000000, 0.0003920100000000, -0.0005234200000000 ] - [ 0.0005258600000000, -0.0002953100000000, 0.0002374200000000 ] - [ -0.0002562100000000, 0.0003557700000000, -0.0004310500000000 ] - [ 0.0007477700000000, 0.0000454400000000, -0.0000312900000000 ] - [ 0.0059679600000000, 0.0035948300000000, -0.0100612100000000 ] - [ 0.0009620000000000, 0.0001547700000000, 0.0003401200000000 ] - [ 0.0004724800000000, 0.0082224100000000, 0.0015210900000000 ] - [ 0.0011673500000000, 0.0001693000000000, 0.0003297000000000 ] - [ -0.0001313900000000, 0.0009346400000000, -0.0015425600000000 ] - [ 0.0006941500000000, -0.0001924100000000, 0.0005527200000000 ] - [ -0.0002576700000000, -0.0002842800000000, -0.0013016100000000 ] - [ 0.0006074900000000, -0.0000436700000000, 0.0004391700000000 ] - [ -0.0006324300000000, 0.0000840200000000, -0.0004600300000000 ] - [ 0.0001619500000000, 0.0003602900000000, -0.0003286300000000 ] - [ -0.0004467200000000, -0.0005059600000000, -0.0002612500000000 ] - [ 0.0006988900000000, -0.0000572700000000, -0.0000399900000000 ] - [ 0.0058899300000000, -0.0009144200000000, -0.0062310600000000 ] - [ 0.0014456200000000, 0.0003212700000000, 0.0007449500000000 ] - [ 0.0001772300000000, -0.0004611900000000, 0.0001563500000000 ] - [ 0.0010121300000000, -0.0002200500000000, 0.0005503700000000 ] - [ 0.0007699500000000, -0.0012940700000000, 0.0003522300000000 ] - [ 0.0003487800000000, 0.0003610100000000, -0.0004730300000000 ] - [ -0.0026110300000000, 0.0005101500000000, -0.0006076700000000 ] - [ 0.0006178300000000, 0.0001249300000000, 0.0004333900000000 ] - [ 0.0000192400000000, -0.0007244600000000, -0.0011982300000000 ] - [ 0.0001794400000000, 0.0007558200000000, 0.0000814500000000 ] - [ -0.0005927000000000, -0.0003356700000000, -0.0005536500000000 ] - [ 0.0000601800000000, -0.0004148000000000, -0.0001346100000000 ] - [ 0.0052188500000000, 0.0001706600000000, 0.0021492100000000 ] - [ 0.0010930200000000, 0.0002223800000000, -0.0003572500000000 ] - [ -0.0012744700000000, -0.0007159900000000, 0.0045581700000000 ] - [ 0.0008939500000000, -0.0003083000000000, 0.0005223500000000 ] - [ 0.0003274000000000, 0.0003781700000000, -0.0002082500000000 ] - [ 0.0002894400000000, -0.0010083300000000, -0.0000569000000000 ] - [ 0.0001278200000000, 0.0002474200000000, -0.0005483000000000 ] - [ 0.0000994400000000, -0.0005682200000000, 0.0001133100000000 ] - [ -0.0004295400000000, 0.0006171900000000, 0.0010547200000000 ] - [ -0.0001328300000000, -0.0003665600000000, -0.0001261000000000 ] - [ 0.0002351800000000, -0.0002609100000000, 0.0000943700000000 ] - [ -0.0004018500000000, -0.0001837500000000, -0.0003010500000000 ] - [ 0.0000356200000000, -0.0000797300000000, 0.0000916300000000 ] - [ 0.0002931900000000, 0.0000218400000000, 0.0012538400000000 ] - [ 0.0008345800000000, -0.0002036100000000, 0.0000983200000000 ] - [ 0.0011235600000000, 0.0029476300000000, -0.0009069900000000 ] - [ -0.0000220000000000, -0.0001305900000000, 0.0001166700000000 ] - [ -0.0000873900000000, 0.0003833300000000, -0.0000679800000000 ] - [ 0.0003999100000000, 0.0001844500000000, 0.0000069300000000 ] - [ 0.0001031700000000, 0.0024989300000000, 0.0013008900000000 ] - [ 0.0001384300000000, 0.0001182200000000, -0.0000133700000000 ] - [ -0.0006033200000000, 0.0002129000000000, -0.0001200100000000 ] - [ 0.0002994500000000, 0.0000458100000000, 0.0001372700000000 ] - [ -0.0006713900000000, -0.0006998000000000, -0.0000568500000000 ] - [ 0.0003603000000000, 0.0000408000000000, 0.0003879100000000 ] - [ 0.0000953900000000, -0.0010908500000000, -0.0007478500000000 ] - [ -0.0009008900000000, 0.0000069300000000, -0.0003907800000000 ] - [ 0.0010560700000000, -0.0005798900000000, 0.0000150300000000 ] - [ -0.0002995900000000, 0.0003905500000000, -0.0010754000000000 ] - [ 0.0009257900000000, 0.0005231600000000, 0.0002181200000000 ] - [ -0.1962605600000000, -0.0028801700000000, 0.0064351800000000 ] - [ 0.0016077800000000, -0.0006828000000000, 0.0004225100000000 ] - [ -0.0021088000000000, 0.0009282700000000, -0.0013775900000000 ] - [ 0.0014201900000000, 0.0007435100000000, 0.0008642800000000 ] - [ 0.0004568500000000, -0.0010429300000000, -0.0004760700000000 ] - [ -0.0006413000000000, -0.0002921200000000, -0.0001203200000000 ] - [ 0.0001594200000000, 0.0004942800000000, 0.0004162100000000 ] - [ -0.0004022300000000, 0.0002436500000000, -0.0003568200000000 ] - [ 0.0014652200000000, -0.0002086700000000, 0.0000890600000000 ] - [ 0.0192830100000000, -0.0067842100000000, 0.0074217100000000 ] - [ 0.0008822700000000, 0.0007066200000000, 0.0013061200000000 ] - [ -0.0007675900000000, 0.0000749400000000, -0.0005199500000000 ] - [ 0.0020451100000000, -0.0004110800000000, 0.0007182900000000 ] - [ -0.0007183100000000, 0.0004490200000000, -0.0004357500000000 ] - [ 0.0634481100000000, 0.0154801900000000, 0.0142494600000000 ] - [ -0.0019480000000000, 0.0002208600000000, -0.0007046700000000 ] - [ 0.0011749000000000, -0.0003014400000000, 0.0005540700000000 ] - [ -0.0009057700000000, 0.0000613900000000, 0.0002158700000000 ] - [ 0.0011554800000000, -0.0007230900000000, 0.0007719800000000 ] - [ -0.0005861300000000, -0.0003125400000000, -0.0005583800000000 ] - [ 0.0022212000000000, -0.0007695900000000, 0.0000035000000000 ] - [ -0.0003006000000000, -0.0000122400000000, -0.0001210000000000 ] - [ 0.0015257400000000, -0.0003109300000000, 0.0010502200000000 ] - [ -0.0017061500000000, -0.0003212300000000, -0.0010033000000000 ] - [ 0.0003502900000000, 0.0005130900000000, 0.0012990100000000 ] - [ -0.0008369500000000, -0.0000712700000000, 0.0000466000000000 ] - [ 0.0370997700000000, 0.0148277500000000, -0.0186411000000000 ] - [ -0.0013647300000000, 0.0002474500000000, 0.0003996100000000 ] - [ 0.0012779700000000, 0.0003044400000000, 0.0005183100000000 ] - [ -0.0002123600000000, 0.0000803300000000, -0.0002732000000000 ] - [ 0.0508012200000000, -0.0288770800000000, 0.0079575200000000 ] - [ -0.0008763700000000, 0.0000851300000000, 0.0000998800000000 ] - [ 0.0014922700000000, 0.0006474400000000, 0.0016044400000000 ] - [ -0.0011006200000000, 0.0000399700000000, -0.0007880300000000 ] - [ 0.0021164000000000, -0.0008430900000000, 0.0010628800000000 ] - [ -0.0010405900000000, -0.0002390200000000, 0.0000737800000000 ] - [ 0.0013056300000000, 0.0002043800000000, 0.0019061500000000 ] - [ -0.0006633300000000, -0.0001507700000000, -0.0003936200000000 ] - [ -0.0001786900000000, -0.0001036400000000, -0.0004801800000000 ] - [ -0.0003131200000000, 0.0006371600000000, 0.0004654200000000 ] - [ 0.0288770200000000, -0.0041953600000000, -0.0070517800000000 ] - [ -0.0010177100000000, -0.0000820700000000, -0.0003941400000000 ] - [ -0.0005707200000000, -0.0002784900000000, -0.0000380400000000 ] - [ -0.0010123400000000, 0.0002910800000000, -0.0006112900000000 ] - [ -0.0004982600000000, 0.0011353300000000, -0.0000231300000000 ] - [ -0.0001578300000000, -0.0006503400000000, -0.0005506300000000 ] - [ -0.0001719800000000, 0.0001484100000000, 0.0005847500000000 ] - [ -0.0001818600000000, -0.0007996500000000, -0.0001295600000000 ] - [ -0.0002691500000000, 0.0007765700000000, -0.0008019100000000 ] - [ -0.0008736100000000, -0.0000003200000000, -0.0003514600000000 ] - [ -0.0024859400000000, -0.0001198100000000, 0.0002577900000000 ] - [ -0.0067610200000000, -0.0017937400000000, -0.0021895300000000 ] - [ 0.0002310800000000, 0.0000593700000000, -0.0004948300000000 ] - [ 0.0002572400000000, 0.0002135700000000, -0.0006760500000000 ] - [ -0.0014113200000000, -0.0006052700000000, -0.0003077500000000 ] - [ -0.0059308700000000, 0.0043502600000000, 0.0018395400000000 ] - [ -0.0006414400000000, 0.0002425000000000, 0.0002039500000000 ] - [ 0.0013031100000000, 0.0004161900000000, 0.0004254600000000 ] - [ -0.0012283400000000, -0.0003665600000000, -0.0012601900000000 ] - [ -0.0007239000000000, 0.0003514800000000, 0.0001491600000000 ] - [ -0.0008597200000000, 0.0000155200000000, 0.0004044400000000 ] - [ -0.0017284600000000, 0.0049677900000000, -0.0049871300000000 ] - [ -0.0003483000000000, 0.0001085100000000, -0.0008385200000000 ] - [ 0.0008404600000000, -0.0003761300000000, -0.0008286500000000 ] - [ -0.0004243900000000, -0.0000598200000000, -0.0000714900000000 ] - [ 0.0008454500000000, -0.0002795500000000, 0.0006831900000000 ] - [ -0.0014984400000000, -0.0001208600000000, -0.0010262700000000 ] - [ -0.0006374400000000, -0.0011419200000000, 0.0014426200000000 ]- atom: 69 displacement: [ -0.0099997439015081, 0.0000000000000000, -0.0000715674804079 ] forces: - [ -0.0006183500000000, 0.0059229000000000, 0.0013755700000000 ] - [ -0.0004400300000000, 0.0002723700000000, -0.0001210200000000 ] - [ 0.0016394100000000, 0.0022820800000000, -0.0011881500000000 ] - [ -0.0004702900000000, 0.0000725200000000, -0.0001134600000000 ] - [ 0.0037709600000000, -0.0003960700000000, -0.0035393400000000 ] - [ -0.0004614700000000, -0.0001695600000000, -0.0001035300000000 ] - [ 0.0007890800000000, -0.0005539000000000, 0.0001124200000000 ] - [ -0.0004020200000000, -0.0003154900000000, -0.0001969000000000 ] - [ 0.0053181200000000, 0.0000351900000000, 0.0002886300000000 ] - [ -0.0004473200000000, -0.0001486500000000, 0.0000877300000000 ] - [ 0.0008069300000000, -0.0006628500000000, 0.0004853500000000 ] - [ -0.0005361200000000, 0.0000222800000000, -0.0002746400000000 ] - [ 0.0007583300000000, -0.0002345600000000, 0.0000745500000000 ] - [ -0.0002440300000000, 0.0000745300000000, -0.0003231200000000 ] - [ -0.0055720700000000, -0.0032506600000000, 0.0100967100000000 ] - [ -0.0006317400000000, 0.0001360800000000, -0.0001953800000000 ] - [ 0.0006867800000000, -0.0077139600000000, -0.0010358200000000 ] - [ -0.0000399500000000, 0.0003805800000000, 0.0001569800000000 ] - [ 0.0003824900000000, -0.0009952700000000, 0.0021900500000000 ] - [ -0.0004355300000000, 0.0001426600000000, 0.0000806700000000 ] - [ 0.0005278000000000, 0.0003592200000000, 0.0017031800000000 ] - [ -0.0003346200000000, 0.0001230100000000, -0.0000270600000000 ] - [ -0.0000012800000000, 0.0006002700000000, -0.0002750100000000 ] - [ -0.0007961700000000, 0.0003274900000000, -0.0004064200000000 ] - [ 0.0009468200000000, 0.0003857500000000, -0.0000934900000000 ] - [ -0.0001951200000000, -0.0000632400000000, -0.0003147300000000 ] - [ -0.0053170800000000, 0.0016221500000000, 0.0070610300000000 ] - [ -0.0008080500000000, 0.0003685500000000, -0.0000075200000000 ] - [ 0.0009476200000000, -0.0000885100000000, 0.0003308500000000 ] - [ 0.0001135400000000, -0.0003305500000000, -0.0000643700000000 ] - [ -0.0010246700000000, 0.0012508600000000, -0.0009841200000000 ] - [ -0.0006063300000000, -0.0004087600000000, -0.0001591400000000 ] - [ 0.0028676500000000, -0.0004585000000000, 0.0012384900000000 ] - [ -0.0003597100000000, -0.0000749600000000, 0.0001994300000000 ] - [ -0.0011432900000000, 0.0012827400000000, 0.0007095800000000 ] - [ -0.0013051800000000, -0.0002044100000000, -0.0005674000000000 ] - [ -0.0000417700000000, -0.0003519400000000, -0.0001811400000000 ] - [ -0.0006946400000000, -0.0002742900000000, -0.0006005300000000 ] - [ -0.0057888600000000, -0.0000315500000000, -0.0018242900000000 ] - [ -0.0015900700000000, -0.0000984800000000, 0.0007117600000000 ] - [ 0.0019309600000000, 0.0000362100000000, -0.0038240400000000 ] - [ -0.0002581100000000, -0.0003797900000000, 0.0002126300000000 ] - [ -0.0005982200000000, -0.0004625200000000, -0.0002026300000000 ] - [ -0.0005593100000000, 0.0009207600000000, -0.0003528300000000 ] - [ -0.0003831200000000, -0.0002006200000000, -0.0000828200000000 ] - [ -0.0003556700000000, 0.0006143700000000, -0.0007435400000000 ] - [ -0.0006965800000000, -0.0011758900000000, -0.0015511600000000 ] - [ -0.0009915800000000, -0.0001846800000000, -0.0003606700000000 ] - [ -0.0005636700000000, -0.0000302200000000, -0.0002398200000000 ] - [ 0.0000692300000000, -0.0001078700000000, 0.0001547600000000 ] - [ -0.0005388900000000, -0.0000401300000000, 0.0002656600000000 ] - [ -0.0007961700000000, -0.0001394900000000, -0.0008986300000000 ] - [ -0.0008209800000000, 0.0004802800000000, -0.0000608800000000 ] - [ -0.0011085800000000, -0.0026664400000000, 0.0009487200000000 ] - [ -0.0002485000000000, 0.0002110500000000, -0.0005260700000000 ] - [ -0.0001850200000000, -0.0003031200000000, -0.0003455100000000 ] - [ -0.0004838900000000, 0.0005194400000000, 0.0000294600000000 ] - [ -0.0001886300000000, -0.0017967600000000, -0.0012661600000000 ] - [ -0.0004679100000000, 0.0001718200000000, -0.0001318400000000 ] - [ 0.0002708300000000, 0.0000764300000000, -0.0000270200000000 ] - [ -0.0002866700000000, -0.0003206500000000, -0.0000989800000000 ] - [ 0.0006794600000000, 0.0004240900000000, 0.0000936400000000 ] - [ -0.0004446700000000, -0.0007460000000000, -0.0003535500000000 ] - [ -0.0001790100000000, 0.0003830800000000, 0.0007771600000000 ] - [ 0.0013541900000000, -0.0010270900000000, 0.0000964200000000 ] - [ -0.0005942300000000, -0.0004372000000000, -0.0003083600000000 ] - [ 0.0007555300000000, 0.0006265800000000, 0.0007776300000000 ] - [ -0.0004639900000000, 0.0004929900000000, -0.0005119400000000 ] - [ 0.1937652100000000, -0.0023065300000000, -0.0080221300000000 ] - [ -0.0012021100000000, -0.0006297700000000, -0.0000967500000000 ] - [ 0.0025086900000000, 0.0003836300000000, 0.0017013000000000 ] - [ -0.0010133800000000, 0.0005696800000000, -0.0005389600000000 ] - [ -0.0008580700000000, -0.0002703600000000, 0.0001486300000000 ] - [ 0.0002329400000000, -0.0010227300000000, -0.0002049200000000 ] - [ -0.0005600900000000, 0.0008156300000000, -0.0007407700000000 ] - [ -0.0000049900000000, 0.0010655900000000, 0.0000287500000000 ] - [ -0.0019267200000000, -0.0008091100000000, 0.0002091200000000 ] - [ -0.0195887200000000, 0.0058433800000000, -0.0070261700000000 ] - [ -0.0013404400000000, 0.0003129200000000, -0.0010125500000000 ] - [ 0.0003101200000000, 0.0009434800000000, 0.0008075900000000 ] - [ -0.0019367400000000, 0.0010860700000000, -0.0012110000000000 ] - [ 0.0008180100000000, 0.0002242900000000, -0.0000572900000000 ] - [ -0.0599557900000000, -0.0132131700000000, -0.0132034300000000 ] - [ 0.0014085700000000, 0.0001987900000000, 0.0000634500000000 ] - [ -0.0016011700000000, 0.0003515700000000, 0.0001003600000000 ] - [ 0.0004737700000000, -0.0000152900000000, 0.0004357400000000 ] - [ -0.0010492400000000, 0.0000482100000000, -0.0012607800000000 ] - [ 0.0006861800000000, -0.0003606400000000, 0.0000653100000000 ] - [ -0.0012052800000000, 0.0004352300000000, 0.0001318100000000 ] - [ 0.0013098600000000, -0.0003216600000000, 0.0002562400000000 ] - [ -0.0020635100000000, -0.0001085700000000, -0.0016811200000000 ] - [ 0.0011643000000000, -0.0000995000000000, 0.0003622300000000 ] - [ -0.0007758700000000, -0.0005575700000000, -0.0006426900000000 ] - [ 0.0004043100000000, 0.0000261800000000, 0.0006057700000000 ] - [ -0.0374587200000000, -0.0147423000000000, 0.0199703400000000 ] - [ 0.0009131900000000, 0.0001002100000000, 0.0005237600000000 ] - [ -0.0002643800000000, 0.0000311200000000, -0.0003810600000000 ] - [ 0.0012216000000000, 0.0002542800000000, 0.0004085800000000 ] - [ -0.0510780400000000, 0.0308899200000000, -0.0079351300000000 ] - [ 0.0017921200000000, -0.0000698100000000, 0.0004815500000000 ] - [ -0.0017119100000000, -0.0003786000000000, -0.0020306500000000 ] - [ 0.0008834600000000, 0.0002330800000000, 0.0003632000000000 ] - [ -0.0025581000000000, 0.0004893400000000, -0.0001385200000000 ] - [ 0.0005889500000000, -0.0001091000000000, 0.0008512300000000 ] - [ -0.0003878900000000, -0.0002145200000000, -0.0013307700000000 ] - [ 0.0015790400000000, 0.0001335500000000, 0.0009754900000000 ] - [ 0.0003909100000000, 0.0003801700000000, 0.0009053100000000 ] - [ 0.0005284500000000, -0.0003587400000000, -0.0000375100000000 ] - [ -0.0292198700000000, 0.0042114400000000, 0.0070291400000000 ] - [ 0.0008003500000000, -0.0001917700000000, -0.0000308400000000 ] - [ -0.0003512200000000, 0.0002936200000000, -0.0005445000000000 ] - [ 0.0000942600000000, -0.0002708900000000, 0.0000272900000000 ] - [ 0.0009419500000000, -0.0007851600000000, -0.0008978000000000 ] - [ 0.0006100100000000, 0.0009984200000000, -0.0003741700000000 ] - [ 0.0003868200000000, -0.0004236000000000, -0.0001590400000000 ] - [ 0.0004009000000000, 0.0005274100000000, 0.0005545500000000 ] - [ -0.0006515000000000, -0.0007868300000000, 0.0002151200000000 ] - [ -0.0000444400000000, -0.0000149800000000, -0.0002305300000000 ] - [ 0.0014809200000000, -0.0002215200000000, -0.0003968600000000 ] - [ 0.0057841100000000, 0.0014475700000000, 0.0020541200000000 ] - [ 0.0002169800000000, -0.0004065000000000, -0.0004319100000000 ] - [ 0.0001945700000000, -0.0005589200000000, -0.0002483300000000 ] - [ 0.0018483100000000, 0.0006568100000000, -0.0003455000000000 ] - [ 0.0063007900000000, -0.0042864500000000, -0.0024918900000000 ] - [ 0.0011778900000000, 0.0001790800000000, 0.0004360400000000 ] - [ -0.0007570900000000, 0.0000075600000000, 0.0002155300000000 ] - [ 0.0002158100000000, 0.0007017400000000, 0.0011298700000000 ] - [ -0.0002888300000000, -0.0000164100000000, -0.0002821400000000 ] - [ 0.0007580400000000, 0.0006601600000000, 0.0000856100000000 ] - [ 0.0016141500000000, -0.0042895600000000, 0.0054512000000000 ] - [ 0.0007769200000000, -0.0001577200000000, 0.0001866900000000 ] - [ -0.0004088600000000, 0.0003267400000000, 0.0001820500000000 ] - [ 0.0009608400000000, -0.0003594900000000, 0.0007106500000000 ] - [ -0.0003015700000000, -0.0001411900000000, -0.0000404200000000 ] - [ 0.0013937700000000, -0.0005621700000000, 0.0015215400000000 ] - [ 0.0005308800000000, 0.0004605600000000, -0.0009450800000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0053432000000000, 0.0057841200000000, 0.0015552300000000 ] - [ 0.0001637000000000, 0.0002947100000000, -0.0000044900000000 ] - [ -0.0025119400000000, 0.0029806000000000, -0.0026771000000000 ] - [ 0.0000970800000000, 0.0001148000000000, 0.0000370600000000 ] - [ -0.0003150600000000, -0.0027865400000000, 0.0021612900000000 ] - [ 0.0002031700000000, -0.0002298700000000, 0.0000537700000000 ] - [ 0.0001075500000000, 0.0001361100000000, 0.0007431700000000 ] - [ 0.0000271300000000, -0.0002345400000000, -0.0000691600000000 ] - [ 0.0010209200000000, 0.0135207000000000, 0.0096039900000000 ] - [ 0.0001453700000000, -0.0000163900000000, 0.0002015900000000 ] - [ 0.0004353900000000, 0.0002745200000000, -0.0003692100000000 ] - [ -0.0001750400000000, 0.0000883000000000, -0.0001304300000000 ] - [ 0.0001579700000000, 0.0012817100000000, -0.0002326900000000 ] - [ 0.0002752500000000, 0.0001031000000000, -0.0001621500000000 ] - [ 0.0027353900000000, -0.0024356900000000, -0.0031467900000000 ] - [ -0.0001082000000000, 0.0000074300000000, 0.0000708300000000 ] - [ 0.0080312900000000, 0.0150703600000000, 0.0022755300000000 ] - [ 0.0005236600000000, 0.0002245100000000, 0.0002044000000000 ] - [ 0.0005823700000000, 0.0009882200000000, -0.0016626300000000 ] - [ 0.0001543400000000, -0.0001043200000000, 0.0003328100000000 ] - [ -0.0008962900000000, -0.0002213900000000, 0.0011942400000000 ] - [ 0.0001603500000000, -0.0000685300000000, 0.0002323400000000 ] - [ 0.0000619800000000, 0.0022976700000000, -0.0003232400000000 ] - [ -0.0003354100000000, 0.0004088800000000, -0.0004230200000000 ] - [ 0.0003429000000000, 0.0014094200000000, -0.0000480400000000 ] - [ 0.0002300200000000, -0.0000097600000000, -0.0001964000000000 ] - [ -0.0002991000000000, -0.0027232500000000, 0.0026259300000000 ] - [ 0.0004344600000000, 0.0002341200000000, 0.0003746500000000 ] - [ 0.0005018700000000, 0.0001606900000000, 0.0001220600000000 ] - [ 0.0005556400000000, -0.0002010000000000, 0.0002854700000000 ] - [ -0.0012829400000000, 0.0017906500000000, -0.0012022000000000 ] - [ -0.0000141800000000, 0.0001001000000000, -0.0004219900000000 ] - [ 0.0015176300000000, 0.0044455300000000, -0.0028702900000000 ] - [ 0.0000732100000000, 0.0000663700000000, 0.0003097200000000 ] - [ -0.0018467800000000, 0.0009148500000000, 0.0010652900000000 ] - [ -0.0003869800000000, 0.0004328900000000, -0.0001805300000000 ] - [ -0.0001230900000000, 0.0001943600000000, -0.0003854200000000 ] - [ -0.0003613600000000, -0.0002966100000000, -0.0003294800000000 ] - [ -0.0013371300000000, -0.0023853100000000, 0.0001991100000000 ] - [ -0.0001086700000000, -0.0000968000000000, -0.0000481600000000 ] - [ 0.0003249600000000, -0.0030700700000000, -0.0034114100000000 ] - [ 0.0002752100000000, -0.0003865200000000, 0.0003696400000000 ] - [ 0.0010323200000000, 0.0002198800000000, -0.0000835300000000 ] - [ -0.0006780400000000, 0.0000775000000000, -0.0004399000000000 ] - [ 0.0005742300000000, -0.0000063300000000, -0.0002893500000000 ] - [ -0.0004148500000000, -0.0000277800000000, -0.0003816500000000 ] - [ 0.0012712400000000, 0.0001444300000000, 0.0016764000000000 ] - [ -0.0006909400000000, -0.0003613100000000, -0.0002816400000000 ] - [ -0.0000462100000000, 0.0002761500000000, -0.0001688000000000 ] - [ -0.0003413700000000, 0.0004161300000000, -0.0003217200000000 ] - [ 0.0000190800000000, -0.0004221300000000, 0.0001714500000000 ] - [ -0.0002694000000000, -0.0002094000000000, 0.0004627100000000 ] - [ -0.0006653400000000, 0.0003860500000000, 0.0000754200000000 ] - [ 0.0012829100000000, 0.0009541100000000, -0.0002578400000000 ] - [ -0.0001717000000000, 0.0003339500000000, -0.0005563100000000 ] - [ -0.0001115300000000, 0.0002436200000000, -0.0000636600000000 ] - [ -0.0002080700000000, 0.0004124600000000, 0.0000905700000000 ] - [ 0.0007126300000000, 0.0009579000000000, 0.0007603700000000 ] - [ -0.0000344000000000, 0.0003223800000000, 0.0000325300000000 ] - [ -0.0004949000000000, 0.0006673400000000, -0.0000297100000000 ] - [ 0.0003352100000000, -0.0003099300000000, 0.0001997200000000 ] - [ -0.0007311500000000, -0.0004644700000000, -0.0004001400000000 ] - [ 0.0004777600000000, -0.0008372500000000, 0.0000691000000000 ] - [ -0.0008549000000000, -0.0006047500000000, -0.0000262000000000 ] - [ -0.0007293800000000, 0.0030334900000000, -0.0004829000000000 ] - [ 0.0003559300000000, -0.0003067900000000, -0.0000402300000000 ] - [ -0.0001169700000000, 0.0022302900000000, -0.0002199200000000 ] - [ 0.0004595300000000, 0.0005825500000000, -0.0000469900000000 ] - [ 0.0014693000000000, -0.2362946300000000, -0.0007388100000000 ] - [ 0.0001774300000000, -0.0007681200000000, 0.0001352200000000 ] - [ -0.0000696400000000, -0.0024928900000000, 0.0000400500000000 ] - [ 0.0001172100000000, 0.0006075100000000, 0.0001504800000000 ] - [ 0.0001773100000000, 0.0010537400000000, 0.0006740000000000 ] - [ -0.0005634200000000, -0.0002209200000000, -0.0002769100000000 ] - [ -0.0003665200000000, 0.0025985800000000, 0.0003915900000000 ] - [ -0.0006116300000000, 0.0007500200000000, -0.0002939200000000 ] - [ -0.0005097700000000, -0.0011853800000000, 0.0003009500000000 ] - [ 0.0055757000000000, -0.0063723300000000, 0.0016411700000000 ] - [ -0.0000772100000000, -0.0002442100000000, -0.0007491500000000 ] - [ -0.0006502200000000, -0.0001095200000000, -0.0000336300000000 ] - [ -0.0008579300000000, -0.0027152000000000, -0.0006764500000000 ] - [ 0.0001468500000000, 0.0000653500000000, -0.0002961200000000 ] - [ 0.0139735400000000, 0.0331956500000000, 0.0052998300000000 ] - [ -0.0001850300000000, 0.0003830400000000, -0.0003396900000000 ] - [ -0.0010471900000000, -0.0034649200000000, -0.0000625100000000 ] - [ -0.0002548600000000, -0.0001550400000000, 0.0003131700000000 ] - [ 0.0009022400000000, -0.0018686500000000, 0.0006768700000000 ] - [ -0.0001018700000000, -0.0003405300000000, -0.0003137900000000 ] - [ 0.0019489400000000, -0.0045955500000000, 0.0006605400000000 ] - [ 0.0004898200000000, -0.0002356600000000, 0.0000536000000000 ] - [ 0.0001524500000000, 0.0012348900000000, -0.0001717200000000 ] - [ -0.0001809800000000, 0.0000663400000000, -0.0001490700000000 ] - [ 0.0008261700000000, -0.0016593200000000, -0.0003610900000000 ] - [ -0.0004081900000000, -0.0000557300000000, 0.0002710500000000 ] - [ 0.0147924400000000, 0.0530233500000000, -0.0319382000000000 ] - [ -0.0002883900000000, 0.0003218100000000, 0.0004836800000000 ] - [ 0.0002957000000000, -0.0011341900000000, 0.0000446300000000 ] - [ 0.0004348900000000, -0.0000235800000000, 0.0000712800000000 ] - [ -0.0311822500000000, 0.0691501200000000, -0.0113242500000000 ] - [ 0.0003978700000000, 0.0000526800000000, 0.0003466800000000 ] - [ 0.0006773000000000, 0.0019297900000000, -0.0021882700000000 ] - [ -0.0001684000000000, 0.0001297300000000, -0.0002659500000000 ] - [ -0.0009332700000000, 0.0013844400000000, 0.0022786200000000 ] - [ -0.0001005300000000, -0.0001692800000000, 0.0004822300000000 ] - [ -0.0000036200000000, 0.0025516200000000, 0.0002704200000000 ] - [ 0.0004888300000000, 0.0001217700000000, 0.0002242000000000 ] - [ -0.0015343300000000, -0.0016938700000000, -0.0010921500000000 ] - [ 0.0004005400000000, 0.0000431000000000, 0.0003440700000000 ] - [ -0.0047898600000000, 0.0515515300000000, 0.0341554700000000 ] - [ -0.0000562800000000, 0.0000034300000000, -0.0001630400000000 ] - [ -0.0016245900000000, -0.0017181900000000, -0.0003907100000000 ] - [ -0.0003770900000000, -0.0001405600000000, -0.0002413300000000 ] - [ 0.0008581800000000, -0.0017060800000000, -0.0011893600000000 ] - [ 0.0001638700000000, -0.0003245100000000, -0.0004823300000000 ] - [ 0.0001878600000000, -0.0011597700000000, -0.0000038600000000 ] - [ 0.0000390300000000, -0.0006134000000000, 0.0001593900000000 ] - [ -0.0002028500000000, -0.0020544500000000, 0.0001549100000000 ] - [ -0.0002895600000000, -0.0002314700000000, -0.0002260100000000 ] - [ 0.0000935900000000, 0.0007058000000000, -0.0009828800000000 ] - [ -0.0031274600000000, -0.0002146800000000, -0.0008504200000000 ] - [ -0.0003143200000000, -0.0014206000000000, -0.0010668800000000 ] - [ 0.0005451500000000, -0.0002228300000000, -0.0004376600000000 ] - [ 0.0004494400000000, 0.0011917300000000, -0.0007591800000000 ] - [ -0.0002457300000000, 0.0035773600000000, 0.0016660600000000 ] - [ 0.0000703900000000, -0.0003261500000000, 0.0001365100000000 ] - [ 0.0007416700000000, -0.0010288600000000, 0.0005201500000000 ] - [ -0.0011174800000000, 0.0016509000000000, 0.0005293900000000 ] - [ -0.0002798400000000, 0.0005986900000000, 0.0000141700000000 ] - [ -0.0003324200000000, 0.0008688300000000, -0.0000998700000000 ] - [ 0.0003780100000000, 0.0036609800000000, -0.0014693700000000 ] - [ 0.0000951000000000, 0.0001386200000000, -0.0000134100000000 ] - [ 0.0004217500000000, 0.0004505000000000, -0.0006997700000000 ] - [ -0.0000757000000000, -0.0008491100000000, 0.0001412100000000 ] - [ 0.0009167600000000, -0.0008495300000000, 0.0005014500000000 ] - [ 0.0010139600000000, -0.0001285500000000, 0.0014394200000000 ] - [ -0.0001460100000000, -0.0000398600000000, 0.0006042100000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0054951900000000, -0.0051362000000000, -0.0016274600000000 ] - [ -0.0000783600000000, 0.0004080300000000, -0.0000311300000000 ] - [ 0.0025182900000000, -0.0027294800000000, 0.0026772800000000 ] - [ -0.0001082300000000, 0.0001593300000000, -0.0000745900000000 ] - [ 0.0006418100000000, 0.0024819300000000, -0.0020369000000000 ] - [ 0.0001286200000000, -0.0000600300000000, 0.0000926400000000 ] - [ -0.0000227600000000, -0.0008384300000000, -0.0007729500000000 ] - [ 0.0000585500000000, -0.0004686800000000, 0.0000338100000000 ] - [ -0.0007546900000000, -0.0134077900000000, -0.0090469100000000 ] - [ 0.0001276300000000, -0.0000638700000000, 0.0002108700000000 ] - [ -0.0004457600000000, -0.0005492900000000, 0.0003300200000000 ] - [ 0.0001649700000000, -0.0003632100000000, 0.0000935100000000 ] - [ 0.0003395400000000, -0.0011595000000000, -0.0001179100000000 ] - [ 0.0002291600000000, 0.0000172400000000, -0.0001921600000000 ] - [ -0.0024174500000000, 0.0026986700000000, 0.0033063700000000 ] - [ 0.0004408200000000, 0.0002832100000000, 0.0000751800000000 ] - [ -0.0070598500000000, -0.0147538900000000, -0.0018236600000000 ] - [ 0.0006034800000000, 0.0003268500000000, 0.0002823700000000 ] - [ -0.0003419500000000, -0.0010457000000000, 0.0023220900000000 ] - [ 0.0001043100000000, 0.0000556000000000, 0.0003002200000000 ] - [ 0.0011723500000000, 0.0003008400000000, -0.0007984600000000 ] - [ 0.0001126300000000, 0.0001488900000000, 0.0001802000000000 ] - [ -0.0007045500000000, -0.0016184600000000, -0.0004134900000000 ] - [ -0.0002979200000000, 0.0002795100000000, -0.0003122000000000 ] - [ 0.0001584900000000, -0.0015301700000000, -0.0003129900000000 ] - [ 0.0002740500000000, -0.0001108000000000, -0.0001579300000000 ] - [ 0.0009457900000000, 0.0034028000000000, -0.0019039600000000 ] - [ 0.0002016500000000, 0.0004547000000000, 0.0003611500000000 ] - [ 0.0006206600000000, -0.0007113800000000, 0.0003632500000000 ] - [ 0.0005713100000000, -0.0003505900000000, 0.0002013800000000 ] - [ 0.0010196600000000, -0.0018421000000000, 0.0005680000000000 ] - [ -0.0002421500000000, -0.0001497500000000, -0.0002105400000000 ] - [ -0.0012650600000000, -0.0043565600000000, 0.0034669700000000 ] - [ 0.0001854300000000, -0.0000174700000000, 0.0003232100000000 ] - [ 0.0007146900000000, -0.0003637400000000, -0.0015547700000000 ] - [ -0.0007372800000000, 0.0001166800000000, -0.0003054100000000 ] - [ -0.0005131000000000, -0.0008810900000000, -0.0003505200000000 ] - [ -0.0002721900000000, -0.0003919800000000, -0.0004050900000000 ] - [ 0.0008389900000000, 0.0025054700000000, 0.0001557300000000 ] - [ -0.0003941000000000, 0.0002176200000000, 0.0004031600000000 ] - [ 0.0003088900000000, 0.0023622000000000, 0.0041628400000000 ] - [ 0.0003605600000000, -0.0003020300000000, 0.0003659900000000 ] - [ -0.0013075800000000, -0.0002976000000000, -0.0003270700000000 ] - [ 0.0004095400000000, -0.0001575500000000, 0.0000282600000000 ] - [ -0.0008296800000000, 0.0000572300000000, -0.0003435100000000 ] - [ 0.0001591400000000, 0.0000772300000000, -0.0002496600000000 ] - [ -0.0024067800000000, -0.0006929000000000, -0.0021767400000000 ] - [ -0.0004338500000000, -0.0001886800000000, -0.0002044900000000 ] - [ -0.0002847900000000, -0.0005681300000000, 0.0000234500000000 ] - [ 0.0000140400000000, -0.0007066100000000, 0.0001741800000000 ] - [ -0.0005220900000000, 0.0003013800000000, 0.0001834600000000 ] - [ -0.0002334100000000, 0.0000892800000000, -0.0001082000000000 ] - [ 0.0006813100000000, -0.0001140600000000, -0.0000380700000000 ] - [ -0.0012624900000000, -0.0006835700000000, 0.0002960400000000 ] - [ -0.0001009300000000, -0.0002565100000000, 0.0001461600000000 ] - [ -0.0001593900000000, -0.0001641400000000, -0.0003474100000000 ] - [ 0.0001240700000000, 0.0002888100000000, -0.0000546800000000 ] - [ -0.0007915700000000, -0.0002595200000000, -0.0007221000000000 ] - [ -0.0002962500000000, -0.0000322200000000, -0.0001783400000000 ] - [ 0.0001657700000000, -0.0003764600000000, -0.0001120900000000 ] - [ -0.0003224600000000, 0.0000372500000000, -0.0001617100000000 ] - [ 0.0007412400000000, 0.0001926300000000, 0.0004389900000000 ] - [ -0.0005619300000000, 0.0001378200000000, -0.0000330000000000 ] - [ 0.0007707700000000, -0.0000956000000000, 0.0000596200000000 ] - [ 0.0011998500000000, -0.0040523000000000, 0.0001883200000000 ] - [ 0.0001038800000000, -0.0007112700000000, -0.0002542400000000 ] - [ 0.0005766500000000, -0.0012126500000000, -0.0000773400000000 ] - [ -0.0000004200000000, 0.0004350300000000, -0.0002479800000000 ] - [ 0.0019703900000000, 0.2337623200000000, 0.0019180400000000 ] - [ 0.0002304800000000, -0.0005439200000000, 0.0001911800000000 ] - [ 0.0004736500000000, 0.0037893000000000, 0.0002875800000000 ] - [ 0.0002912100000000, 0.0007047000000000, 0.0001759700000000 ] - [ -0.0005834100000000, -0.0023692600000000, -0.0010017900000000 ] - [ 0.0001652700000000, -0.0010934900000000, -0.0000462400000000 ] - [ -0.0000375700000000, -0.0012895200000000, -0.0007247100000000 ] - [ 0.0002081000000000, 0.0005618300000000, -0.0000314200000000 ] - [ 0.0000549800000000, 0.0001697100000000, -0.0000055100000000 ] - [ -0.0060359600000000, 0.0053810000000000, -0.0013475100000000 ] - [ -0.0003786200000000, 0.0012643800000000, 0.0010481400000000 ] - [ 0.0001882300000000, 0.0011237900000000, 0.0003277300000000 ] - [ 0.0009510600000000, 0.0033852500000000, 0.0001896300000000 ] - [ -0.0000470900000000, 0.0006096600000000, -0.0001963400000000 ] - [ -0.0140565700000000, -0.0326952700000000, -0.0057609200000000 ] - [ -0.0003585000000000, 0.0000367400000000, -0.0003018700000000 ] - [ 0.0006055100000000, 0.0034963500000000, 0.0007048700000000 ] - [ -0.0001771900000000, 0.0002024000000000, 0.0003386000000000 ] - [ -0.0007941000000000, 0.0011890500000000, -0.0011713400000000 ] - [ 0.0002020400000000, -0.0003341100000000, -0.0001783000000000 ] - [ -0.0009434500000000, 0.0042794300000000, -0.0005276200000000 ] - [ 0.0005204300000000, -0.0001001900000000, 0.0000822300000000 ] - [ -0.0006901400000000, -0.0016499000000000, -0.0004685500000000 ] - [ -0.0003630500000000, -0.0004872900000000, -0.0004935200000000 ] - [ -0.0012577900000000, 0.0016104800000000, 0.0010240200000000 ] - [ -0.0000234000000000, 0.0000088300000000, 0.0003808900000000 ] - [ -0.0161067100000000, -0.0536802500000000, 0.0346977300000000 ] - [ -0.0001633800000000, 0.0000255200000000, 0.0004395500000000 ] - [ 0.0007184900000000, 0.0014701800000000, 0.0000924900000000 ] - [ 0.0005755700000000, 0.0003599500000000, 0.0000641500000000 ] - [ 0.0293489900000000, -0.0659725500000000, 0.0108509000000000 ] - [ 0.0005188500000000, -0.0000366600000000, 0.0002356400000000 ] - [ -0.0008842800000000, -0.0016464100000000, 0.0017523400000000 ] - [ -0.0000498100000000, 0.0001442500000000, -0.0001584600000000 ] - [ 0.0004834800000000, -0.0017247700000000, -0.0013472600000000 ] - [ -0.0003519700000000, -0.0001780500000000, 0.0004409800000000 ] - [ 0.0009242100000000, -0.0025576700000000, 0.0003120200000000 ] - [ 0.0004273800000000, -0.0001384000000000, 0.0003580500000000 ] - [ 0.0017613100000000, 0.0019712800000000, 0.0015291500000000 ] - [ -0.0001861600000000, 0.0002303100000000, 0.0000808600000000 ] - [ 0.0047944500000000, -0.0526973900000000, -0.0364683000000000 ] - [ -0.0001619700000000, -0.0002776200000000, -0.0002616600000000 ] - [ 0.0007102700000000, 0.0017320800000000, -0.0001943100000000 ] - [ -0.0005450800000000, 0.0001550900000000, -0.0003430000000000 ] - [ -0.0004079600000000, 0.0020617300000000, 0.0002694800000000 ] - [ 0.0002825300000000, 0.0006747000000000, -0.0004411600000000 ] - [ 0.0000295900000000, 0.0008884100000000, 0.0004288700000000 ] - [ 0.0001739500000000, 0.0003412900000000, 0.0002622800000000 ] - [ -0.0007109200000000, 0.0020454900000000, -0.0007367100000000 ] - [ -0.0006307000000000, 0.0002167200000000, -0.0003578500000000 ] - [ -0.0011105100000000, -0.0010436500000000, 0.0008484700000000 ] - [ 0.0021339800000000, -0.0001177000000000, 0.0007195000000000 ] - [ 0.0007633600000000, 0.0010694600000000, 0.0001454000000000 ] - [ -0.0000959800000000, -0.0001260900000000, -0.0004873500000000 ] - [ -0.0000216300000000, -0.0011475300000000, 0.0001068400000000 ] - [ 0.0006711200000000, -0.0035437600000000, -0.0023191600000000 ] - [ 0.0004698100000000, 0.0007467200000000, 0.0005044700000000 ] - [ -0.0002124000000000, 0.0014490100000000, 0.0001178000000000 ] - [ 0.0001048300000000, -0.0013176700000000, -0.0006683000000000 ] - [ -0.0007327400000000, -0.0002619500000000, -0.0001506100000000 ] - [ 0.0002289400000000, -0.0001971000000000, 0.0005929100000000 ] - [ -0.0004837600000000, -0.0029984700000000, 0.0019589600000000 ] - [ 0.0003340300000000, -0.0001848100000000, -0.0006407300000000 ] - [ 0.0000093900000000, -0.0004933800000000, 0.0000462900000000 ] - [ 0.0006168700000000, 0.0004316400000000, 0.0005010500000000 ] - [ -0.0003775400000000, 0.0004285200000000, 0.0001392600000000 ] - [ -0.0011227400000000, -0.0005466400000000, -0.0009518700000000 ] - [ 0.0000455500000000, -0.0006303500000000, -0.0001109800000000 ]- atom: 69 displacement: [ -0.0030577532044204, 0.0000000000000000, 0.0095210369887348 ] forces: - [ -0.0013812300000000, 0.0039642800000000, -0.0019810200000000 ] - [ 0.0000044800000000, 0.0003117500000000, -0.0000986900000000 ] - [ 0.0019118900000000, -0.0024024400000000, -0.0004424900000000 ] - [ -0.0000668900000000, 0.0001086500000000, 0.0000574400000000 ] - [ 0.0038658300000000, 0.0023714200000000, 0.0096677700000000 ] - [ 0.0001521700000000, -0.0001312700000000, 0.0002625100000000 ] - [ 0.0000268100000000, -0.0001254900000000, 0.0003537800000000 ] - [ 0.0000814000000000, -0.0003669100000000, 0.0000414300000000 ] - [ 0.0015527100000000, 0.0081845300000000, 0.0015087200000000 ] - [ 0.0001175600000000, -0.0000252200000000, 0.0002304100000000 ] - [ -0.0001536800000000, -0.0004359300000000, 0.0001564600000000 ] - [ 0.0000616300000000, -0.0001470100000000, -0.0000484300000000 ] - [ 0.0001784500000000, -0.0006792700000000, -0.0001061500000000 ] - [ 0.0002833200000000, 0.0000600400000000, -0.0001438600000000 ] - [ -0.0102814300000000, -0.0037286000000000, 0.0062337600000000 ] - [ 0.0002497600000000, 0.0001741700000000, -0.0000999000000000 ] - [ 0.0011631900000000, -0.0004909500000000, -0.0047614300000000 ] - [ 0.0004903600000000, 0.0002863900000000, 0.0002292000000000 ] - [ -0.0009172000000000, -0.0020865100000000, 0.0041617100000000 ] - [ 0.0002051000000000, -0.0000344500000000, 0.0003415100000000 ] - [ -0.0017289800000000, 0.0005767600000000, 0.0037159200000000 ] - [ 0.0002290000000000, 0.0000419000000000, 0.0001919800000000 ] - [ -0.0003381900000000, 0.0001704400000000, -0.0007455500000000 ] - [ -0.0003435600000000, 0.0003560200000000, -0.0003965500000000 ] - [ 0.0002936500000000, 0.0008745500000000, -0.0002242700000000 ] - [ 0.0002788300000000, -0.0000656700000000, -0.0001885300000000 ] - [ -0.0075623400000000, 0.0027083100000000, 0.0047070800000000 ] - [ 0.0003885700000000, 0.0003295900000000, 0.0002740400000000 ] - [ 0.0004376600000000, -0.0003140300000000, 0.0006092200000000 ] - [ 0.0006346300000000, -0.0002709800000000, 0.0002740800000000 ] - [ -0.0000162000000000, -0.0001674300000000, -0.0003393700000000 ] - [ -0.0001737200000000, -0.0000781700000000, -0.0003315500000000 ] - [ 0.0000127700000000, -0.0027395200000000, 0.0006196900000000 ] - [ 0.0001248000000000, 0.0000299400000000, 0.0003045000000000 ] - [ -0.0008097500000000, 0.0008775800000000, -0.0005982300000000 ] - [ -0.0005077800000000, 0.0002846400000000, -0.0002721400000000 ] - [ -0.0005735200000000, -0.0003050100000000, 0.0001621200000000 ] - [ -0.0002187200000000, -0.0003794400000000, -0.0003288600000000 ] - [ 0.0000789100000000, 0.0002845600000000, -0.0016556500000000 ] - [ -0.0005944500000000, -0.0000370500000000, 0.0000709000000000 ] - [ 0.0044689600000000, -0.0038749100000000, 0.0089807900000000 ] - [ 0.0003103100000000, -0.0003420600000000, 0.0004387300000000 ] - [ -0.0007885500000000, -0.0005502100000000, -0.0007059000000000 ] - [ -0.0003937200000000, 0.0001638100000000, -0.0007155200000000 ] - [ -0.0008965700000000, -0.0001656100000000, 0.0005411200000000 ] - [ 0.0001983500000000, -0.0000879000000000, -0.0002689100000000 ] - [ 0.0016034200000000, 0.0016584800000000, 0.0013276800000000 ] - [ -0.0005848200000000, -0.0002664900000000, -0.0001200500000000 ] - [ -0.0000984000000000, -0.0001421100000000, -0.0002552200000000 ] - [ -0.0003679700000000, 0.0001624200000000, -0.0002045800000000 ] - [ -0.0006243300000000, 0.0000020800000000, 0.0011627600000000 ] - [ 0.0000834300000000, 0.0000421400000000, 0.0003533800000000 ] - [ 0.0000494700000000, 0.0001957700000000, -0.0001057300000000 ] - [ -0.0001022800000000, -0.0000158900000000, -0.0003845100000000 ] - [ -0.0000975800000000, -0.0000162900000000, -0.0000701800000000 ] - [ -0.0001101100000000, 0.0000419100000000, -0.0000387200000000 ] - [ -0.0001386500000000, 0.0004062900000000, 0.0001391900000000 ] - [ 0.0002182900000000, 0.0004897700000000, -0.0000413700000000 ] - [ -0.0002158600000000, 0.0001981100000000, 0.0001536000000000 ] - [ 0.0000958100000000, -0.0001755600000000, 0.0001215200000000 ] - [ 0.0002855600000000, -0.0000453800000000, 0.0004277100000000 ] - [ 0.0004079200000000, -0.0002386800000000, 0.0010990300000000 ] - [ 0.0004980400000000, -0.0002384100000000, -0.0002733600000000 ] - [ -0.0009772200000000, -0.0001622300000000, 0.0004470300000000 ] - [ 0.0004922800000000, -0.0005484000000000, -0.0007559300000000 ] - [ 0.0000742900000000, -0.0005870200000000, -0.0001859200000000 ] - [ -0.0004085600000000, 0.0005237800000000, 0.0020275100000000 ] - [ 0.0004515300000000, 0.0004917000000000, -0.0001038200000000 ] - [ 0.0691073400000000, 0.0016677700000000, -0.2300922600000000 ] - [ 0.0000213400000000, -0.0006750700000000, 0.0001146600000000 ] - [ -0.0005839900000000, 0.0006834100000000, 0.0037024700000000 ] - [ 0.0004985400000000, 0.0006418900000000, 0.0002733300000000 ] - [ -0.0006978200000000, -0.0013353800000000, -0.0003953500000000 ] - [ -0.0000285300000000, -0.0006576000000000, -0.0002541000000000 ] - [ 0.0002410900000000, 0.0012389400000000, -0.0003899700000000 ] - [ -0.0003283500000000, 0.0006564800000000, 0.0001887900000000 ] - [ -0.0008349000000000, -0.0007587600000000, 0.0001182800000000 ] - [ 0.0012336300000000, -0.0008292400000000, -0.0012857100000000 ] - [ 0.0006382300000000, -0.0003546500000000, 0.0003781800000000 ] - [ -0.0007917700000000, 0.0004961700000000, 0.0013933100000000 ] - [ -0.0000046100000000, 0.0004377700000000, 0.0003525600000000 ] - [ 0.0000741900000000, 0.0003376600000000, -0.0001633600000000 ] - [ -0.0057864400000000, 0.0012970300000000, 0.0235856800000000 ] - [ 0.0000949900000000, 0.0001987000000000, -0.0002323200000000 ] - [ -0.0006004800000000, -0.0003396900000000, 0.0004997700000000 ] - [ -0.0001512400000000, 0.0000231200000000, 0.0002450500000000 ] - [ -0.0002558900000000, 0.0010597300000000, -0.0026219900000000 ] - [ -0.0001150700000000, -0.0003807100000000, -0.0003625200000000 ] - [ -0.0002347800000000, 0.0001800600000000, 0.0019799700000000 ] - [ 0.0005782400000000, -0.0001599900000000, 0.0000849200000000 ] - [ 0.0006222900000000, 0.0000046600000000, -0.0027396800000000 ] - [ -0.0008433100000000, -0.0001079400000000, -0.0005040600000000 ] - [ 0.0011512800000000, -0.0015622400000000, -0.0013301700000000 ] - [ -0.0003874600000000, -0.0000409000000000, 0.0003839500000000 ] - [ -0.0316443500000000, -0.0378078700000000, 0.0772223800000000 ] - [ -0.0001522300000000, 0.0002054000000000, 0.0004625400000000 ] - [ 0.0007758000000000, 0.0001929200000000, -0.0007102200000000 ] - [ 0.0003645500000000, 0.0001423700000000, 0.0000236600000000 ] - [ -0.0071955500000000, -0.0020546800000000, 0.0277015900000000 ] - [ 0.0005937800000000, -0.0000045300000000, 0.0003409400000000 ] - [ 0.0007941400000000, -0.0014233700000000, -0.0031264300000000 ] - [ -0.0002209400000000, 0.0001444500000000, -0.0002864800000000 ] - [ 0.0008169100000000, 0.0012026300000000, -0.0024294200000000 ] - [ -0.0003520600000000, -0.0001587900000000, 0.0004553900000000 ] - [ 0.0015218400000000, -0.0001605500000000, -0.0038110800000000 ] - [ 0.0002066500000000, -0.0000655200000000, 0.0001899600000000 ] - [ -0.0003719600000000, -0.0005181200000000, 0.0013055800000000 ] - [ 0.0003966800000000, -0.0000447100000000, 0.0000682600000000 ] - [ -0.0167929300000000, 0.0335686600000000, 0.0777438100000000 ] - [ -0.0000508400000000, -0.0001285200000000, -0.0001745100000000 ] - [ 0.0004618000000000, 0.0012162200000000, -0.0002158200000000 ] - [ -0.0005628900000000, -0.0000203900000000, -0.0001205800000000 ] - [ 0.0001778400000000, 0.0004282800000000, -0.0000601200000000 ] - [ 0.0001563000000000, 0.0001885500000000, -0.0003006600000000 ] - [ 0.0003223000000000, 0.0000799000000000, -0.0001104800000000 ] - [ -0.0000612500000000, -0.0001562900000000, 0.0002525500000000 ] - [ -0.0005179900000000, -0.0002122300000000, -0.0001991100000000 ] - [ -0.0004514800000000, -0.0000062200000000, -0.0004292400000000 ] - [ 0.0007205000000000, -0.0007120400000000, 0.0003895800000000 ] - [ -0.0009161100000000, -0.0002154900000000, -0.0000076200000000 ] - [ -0.0001966000000000, -0.0014286900000000, -0.0015798400000000 ] - [ 0.0001053100000000, -0.0000105200000000, -0.0008365600000000 ] - [ 0.0006346100000000, 0.0000026900000000, 0.0002523100000000 ] - [ 0.0016801600000000, 0.0009905400000000, 0.0022256700000000 ] - [ 0.0006032200000000, 0.0003973700000000, 0.0004006400000000 ] - [ -0.0000684200000000, 0.0002623500000000, 0.0008205500000000 ] - [ -0.0024557800000000, 0.0008699300000000, -0.0008154500000000 ] - [ -0.0003017300000000, 0.0001332200000000, -0.0006676000000000 ] - [ 0.0003898700000000, 0.0003868500000000, -0.0000785900000000 ] - [ -0.0026320000000000, -0.0002840500000000, 0.0008688200000000 ] - [ 0.0000543200000000, 0.0002742600000000, -0.0007965800000000 ] - [ -0.0001379100000000, -0.0005309900000000, -0.0015088600000000 ] - [ -0.0000638100000000, -0.0003170400000000, 0.0003046500000000 ] - [ 0.0004843200000000, -0.0002434800000000, -0.0002306400000000 ] - [ -0.0003688100000000, -0.0000688800000000, 0.0005313200000000 ] - [ 0.0010493100000000, 0.0002619100000000, -0.0003956200000000 ]- atom: 69 displacement: [ 0.0030577532044204, 0.0000000000000000, -0.0095210369887348 ] forces: - [ 0.0014554400000000, -0.0032671100000000, 0.0019541600000000 ] - [ 0.0000815700000000, 0.0003901900000000, 0.0000629700000000 ] - [ -0.0019236500000000, 0.0026675300000000, 0.0003979300000000 ] - [ 0.0000556700000000, 0.0001645600000000, -0.0000951100000000 ] - [ -0.0034767300000000, -0.0026396500000000, -0.0093924200000000 ] - [ 0.0001783700000000, -0.0001589300000000, -0.0001166200000000 ] - [ 0.0000600200000000, -0.0005703200000000, -0.0003912000000000 ] - [ 0.0000037000000000, -0.0003350600000000, -0.0000770700000000 ] - [ -0.0012549900000000, -0.0082120000000000, -0.0011199200000000 ] - [ 0.0001547500000000, -0.0000545000000000, 0.0001820600000000 ] - [ 0.0001416800000000, 0.0001691600000000, -0.0001926100000000 ] - [ -0.0000724900000000, -0.0001263900000000, 0.0000111800000000 ] - [ 0.0003222300000000, 0.0008045900000000, -0.0002509100000000 ] - [ 0.0002204100000000, 0.0000604800000000, -0.0002105300000000 ] - [ 0.0107578600000000, 0.0040648400000000, -0.0061596400000000 ] - [ 0.0000820900000000, 0.0001158000000000, 0.0002460000000000 ] - [ -0.0000046100000000, 0.0011116800000000, 0.0052491700000000 ] - [ 0.0006362100000000, 0.0002641200000000, 0.0002577200000000 ] - [ 0.0011559300000000, 0.0020078100000000, -0.0034956200000000 ] - [ 0.0000531100000000, -0.0000149800000000, 0.0002913300000000 ] - [ 0.0020068600000000, -0.0005188300000000, -0.0033210300000000 ] - [ 0.0000439500000000, 0.0000376700000000, 0.0002207200000000 ] - [ -0.0002966500000000, 0.0005179100000000, 0.0000102000000000 ] - [ -0.0002907700000000, 0.0003327400000000, -0.0003382800000000 ] - [ 0.0002062200000000, -0.0009893100000000, -0.0001303300000000 ] - [ 0.0002252000000000, -0.0000547200000000, -0.0001658500000000 ] - [ 0.0080879700000000, -0.0020157200000000, -0.0039217100000000 ] - [ 0.0002472200000000, 0.0003592700000000, 0.0004618100000000 ] - [ 0.0006842800000000, -0.0002293300000000, -0.0001240800000000 ] - [ 0.0004919700000000, -0.0002795200000000, 0.0002121600000000 ] - [ -0.0002436300000000, 0.0001214100000000, -0.0002926800000000 ] - [ -0.0000829200000000, 0.0000308400000000, -0.0002992200000000 ] - [ 0.0002437600000000, 0.0028152700000000, 0.0000185200000000 ] - [ 0.0001338000000000, 0.0000196300000000, 0.0003285000000000 ] - [ -0.0003198700000000, -0.0003198000000000, 0.0001065500000000 ] - [ -0.0006176800000000, 0.0002660600000000, -0.0002140800000000 ] - [ -0.0000617300000000, -0.0003802000000000, -0.0008970500000000 ] - [ -0.0004154800000000, -0.0003092000000000, -0.0004065200000000 ] - [ -0.0005818700000000, -0.0001676400000000, 0.0020098600000000 ] - [ 0.0000946500000000, 0.0001572800000000, 0.0002867800000000 ] - [ -0.0039084000000000, 0.0032139900000000, -0.0083582900000000 ] - [ 0.0003266200000000, -0.0003468200000000, 0.0002972200000000 ] - [ 0.0005204800000000, 0.0004708700000000, 0.0002945000000000 ] - [ 0.0001215100000000, -0.0002449400000000, 0.0003036400000000 ] - [ 0.0006419900000000, 0.0002119400000000, -0.0011748600000000 ] - [ -0.0004551500000000, 0.0001357900000000, -0.0003635700000000 ] - [ -0.0027437100000000, -0.0022245800000000, -0.0018245200000000 ] - [ -0.0005398600000000, -0.0002849000000000, -0.0003660300000000 ] - [ -0.0002307000000000, -0.0001477900000000, 0.0001098200000000 ] - [ 0.0000363400000000, -0.0004518100000000, 0.0000592200000000 ] - [ 0.0001161600000000, -0.0001235500000000, -0.0008097400000000 ] - [ -0.0005828000000000, -0.0001625500000000, 0.0000002500000000 ] - [ -0.0000357600000000, 0.0000783500000000, 0.0001427500000000 ] - [ 0.0001133400000000, 0.0002909000000000, 0.0004279100000000 ] - [ -0.0001756000000000, 0.0000979800000000, -0.0003404800000000 ] - [ -0.0001601700000000, 0.0000402700000000, -0.0003738600000000 ] - [ 0.0000535500000000, 0.0002972000000000, -0.0001035500000000 ] - [ -0.0003015000000000, 0.0002124800000000, 0.0000731400000000 ] - [ -0.0001141200000000, 0.0000924400000000, -0.0002990100000000 ] - [ -0.0004267600000000, 0.0004661100000000, -0.0002679600000000 ] - [ -0.0002729300000000, -0.0002296800000000, -0.0003891500000000 ] - [ -0.0003953700000000, -0.0000404200000000, -0.0010600200000000 ] - [ -0.0005803900000000, -0.0004641400000000, 0.0003110300000000 ] - [ 0.0008936700000000, -0.0005446700000000, -0.0004117000000000 ] - [ -0.0000358500000000, -0.0004654200000000, 0.0004587200000000 ] - [ 0.0003867200000000, -0.0004295000000000, -0.0001081900000000 ] - [ 0.0008652900000000, 0.0004981200000000, -0.0023223700000000 ] - [ 0.0000089900000000, 0.0005253700000000, -0.0001903300000000 ] - [ -0.0672716200000000, 0.0040475300000000, 0.2309727800000000 ] - [ 0.0003852900000000, -0.0006380400000000, 0.0002114900000000 ] - [ 0.0009863600000000, 0.0006137600000000, -0.0033780900000000 ] - [ -0.0000918300000000, 0.0006708500000000, 0.0000520000000000 ] - [ 0.0002957700000000, 0.0000274000000000, 0.0000680600000000 ] - [ -0.0003776500000000, -0.0006544700000000, -0.0000716100000000 ] - [ -0.0006437700000000, 0.0000755900000000, 0.0000666600000000 ] - [ -0.0000776600000000, 0.0006557300000000, -0.0005145600000000 ] - [ 0.0003767700000000, -0.0002631600000000, 0.0001737900000000 ] - [ -0.0017063500000000, -0.0001835800000000, 0.0015776200000000 ] - [ -0.0010984100000000, 0.0013755700000000, -0.0000808300000000 ] - [ 0.0003440400000000, 0.0005193600000000, -0.0010973400000000 ] - [ 0.0001082200000000, 0.0002336800000000, -0.0008476000000000 ] - [ 0.0000255700000000, 0.0003354400000000, -0.0003297000000000 ] - [ 0.0048758600000000, -0.0010448000000000, -0.0243715100000000 ] - [ -0.0006365600000000, 0.0002206600000000, -0.0004081400000000 ] - [ 0.0001686100000000, 0.0003814600000000, 0.0001552300000000 ] - [ -0.0002808700000000, 0.0000222700000000, 0.0004074400000000 ] - [ 0.0003632500000000, -0.0017350000000000, 0.0021313600000000 ] - [ 0.0002153600000000, -0.0002927700000000, -0.0001305000000000 ] - [ 0.0012523300000000, -0.0005181500000000, -0.0018414300000000 ] - [ 0.0004316200000000, -0.0001753900000000, 0.0000507900000000 ] - [ -0.0011667700000000, -0.0004180000000000, 0.0020985000000000 ] - [ 0.0003018900000000, -0.0003107000000000, -0.0001375300000000 ] - [ -0.0015761200000000, 0.0015153800000000, 0.0019820700000000 ] - [ -0.0000457300000000, -0.0000049900000000, 0.0002679500000000 ] - [ 0.0293634800000000, 0.0348375200000000, -0.0725673700000000 ] - [ -0.0002988800000000, 0.0001429000000000, 0.0004607400000000 ] - [ 0.0002372100000000, 0.0001362000000000, 0.0008462300000000 ] - [ 0.0006453000000000, 0.0001925400000000, 0.0001116900000000 ] - [ 0.0084086500000000, 0.0016226500000000, -0.0270004800000000 ] - [ 0.0003228000000000, 0.0000207200000000, 0.0002406200000000 ] - [ -0.0010011700000000, 0.0016807000000000, 0.0026898400000000 ] - [ 0.0000037900000000, 0.0001290600000000, -0.0001376600000000 ] - [ -0.0012682800000000, -0.0015676100000000, 0.0033686800000000 ] - [ -0.0001003600000000, -0.0001890600000000, 0.0004686500000000 ] - [ -0.0005995700000000, 0.0001633500000000, 0.0043932800000000 ] - [ 0.0007096400000000, 0.0000495000000000, 0.0003926600000000 ] - [ 0.0005857800000000, 0.0007897900000000, -0.0008828300000000 ] - [ -0.0001803200000000, 0.0003200300000000, 0.0003566800000000 ] - [ 0.0169998100000000, -0.0370824100000000, -0.0824150400000000 ] - [ -0.0001673600000000, -0.0001447400000000, -0.0002506900000000 ] - [ -0.0013856500000000, -0.0012083100000000, -0.0003649900000000 ] - [ -0.0003556200000000, 0.0000366300000000, -0.0004622900000000 ] - [ 0.0002698500000000, -0.0000818600000000, -0.0008608700000000 ] - [ 0.0002950200000000, 0.0001588800000000, -0.0006240500000000 ] - [ -0.0001046700000000, -0.0003585200000000, 0.0005379000000000 ] - [ 0.0002775400000000, -0.0001178900000000, 0.0001727400000000 ] - [ -0.0003997900000000, 0.0001952900000000, -0.0003868100000000 ] - [ -0.0004678900000000, -0.0000108100000000, -0.0001542600000000 ] - [ -0.0017255600000000, 0.0003738300000000, -0.0005198600000000 ] - [ -0.0000767600000000, -0.0001190500000000, -0.0001234000000000 ] - [ 0.0006454200000000, 0.0010804300000000, 0.0006536600000000 ] - [ 0.0003450400000000, -0.0003363200000000, -0.0000873600000000 ] - [ -0.0002079900000000, 0.0000460900000000, -0.0009029100000000 ] - [ -0.0012489300000000, -0.0009434700000000, -0.0028966300000000 ] - [ -0.0000653800000000, 0.0000196700000000, 0.0002402400000000 ] - [ 0.0006110900000000, 0.0001552700000000, -0.0001786700000000 ] - [ 0.0014528400000000, -0.0005295700000000, 0.0006780800000000 ] - [ -0.0007160100000000, 0.0002075700000000, 0.0005298800000000 ] - [ -0.0004918000000000, 0.0002892700000000, 0.0005728900000000 ] - [ 0.0025229500000000, 0.0009556600000000, -0.0003641300000000 ] - [ 0.0003781600000000, -0.0003223300000000, 0.0001435300000000 ] - [ 0.0005601100000000, 0.0004774300000000, 0.0008543500000000 ] - [ 0.0006024600000000, -0.0001018200000000, 0.0003347700000000 ] - [ 0.0000583500000000, -0.0001785800000000, 0.0008717900000000 ] - [ 0.0002645900000000, -0.0006065900000000, -0.0000428900000000 ] - [ -0.0011629600000000, -0.0009443000000000, 0.0008876700000000 ]- atom: 81 displacement: [ 0.0099997439015081, 0.0000000000000000, 0.0000715674804079 ] forces: - [ 0.0014651200000000, 0.0004145800000000, -0.0000073600000000 ] - [ -0.0003360600000000, 0.0003457100000000, -0.0000689600000000 ] - [ 0.0010520000000000, 0.0003622300000000, 0.0003114500000000 ] - [ -0.0003706000000000, 0.0001091400000000, -0.0001565800000000 ] - [ 0.0007622500000000, -0.0002337700000000, 0.0004253600000000 ] - [ -0.0001861000000000, -0.0001470400000000, -0.0000834300000000 ] - [ 0.0004345500000000, -0.0004861800000000, 0.0010018100000000 ] - [ -0.0003595400000000, -0.0003533500000000, -0.0001978000000000 ] - [ -0.0000863800000000, -0.0023804500000000, 0.0024359400000000 ] - [ -0.0003368800000000, -0.0000091700000000, 0.0000645700000000 ] - [ 0.0033179200000000, -0.0000649900000000, 0.0005591500000000 ] - [ -0.0004465600000000, -0.0001175100000000, -0.0001639800000000 ] - [ -0.0000817900000000, 0.0003640600000000, 0.0008923600000000 ] - [ -0.0003212600000000, 0.0000029800000000, -0.0004793800000000 ] - [ 0.0015138400000000, 0.0005413500000000, 0.0004490200000000 ] - [ -0.0002336200000000, 0.0001350500000000, -0.0000007700000000 ] - [ 0.0002863800000000, 0.0010306900000000, 0.0002449600000000 ] - [ 0.0001371700000000, 0.0000419200000000, 0.0001274000000000 ] - [ 0.0002356200000000, 0.0000606200000000, 0.0006666300000000 ] - [ -0.0001810100000000, -0.0000696000000000, 0.0001379900000000 ] - [ 0.0005869800000000, 0.0000628900000000, 0.0002346700000000 ] - [ -0.0001780300000000, 0.0000756100000000, 0.0001052900000000 ] - [ -0.0031239900000000, 0.0013325800000000, -0.0000196400000000 ] - [ -0.0013550100000000, 0.0001367600000000, -0.0004030600000000 ] - [ 0.0054727200000000, -0.0016693500000000, 0.0006663100000000 ] - [ -0.0002441600000000, -0.0000914500000000, -0.0002344000000000 ] - [ 0.0001252900000000, 0.0002432000000000, 0.0005993300000000 ] - [ 0.0000011800000000, 0.0005018400000000, 0.0002184000000000 ] - [ 0.0009165400000000, -0.0002297800000000, -0.0001142200000000 ] - [ 0.0002258800000000, -0.0001640600000000, -0.0000122800000000 ] - [ -0.0014925300000000, -0.0004046800000000, -0.0004823800000000 ] - [ -0.0016404100000000, 0.0004144500000000, 0.0003241100000000 ] - [ 0.0103080900000000, 0.0054120500000000, 0.0044285400000000 ] - [ -0.0003237400000000, 0.0000512000000000, 0.0002898100000000 ] - [ -0.0008929000000000, 0.0001300900000000, -0.0000201600000000 ] - [ -0.0012616700000000, 0.0007401500000000, -0.0010283200000000 ] - [ -0.0001761300000000, -0.0002544400000000, -0.0008040500000000 ] - [ -0.0006268800000000, -0.0004024700000000, -0.0006143000000000 ] - [ -0.0006834200000000, -0.0000952700000000, 0.0001434200000000 ] - [ -0.0006379500000000, 0.0006423100000000, 0.0002891000000000 ] - [ -0.0000206700000000, -0.0012632200000000, -0.0001954200000000 ] - [ 0.0000460700000000, -0.0003089700000000, 0.0003857900000000 ] - [ -0.0005221200000000, 0.0001110300000000, -0.0001973400000000 ] - [ -0.0001316000000000, -0.0011844900000000, -0.0002441600000000 ] - [ -0.0002499500000000, 0.0001368900000000, -0.0003912200000000 ] - [ -0.0001136100000000, -0.0002841400000000, -0.0005645600000000 ] - [ -0.0006456700000000, -0.0000846300000000, -0.0004558200000000 ] - [ -0.0007327900000000, -0.0004601600000000, -0.0002286600000000 ] - [ -0.0007558200000000, -0.0001008200000000, -0.0001521700000000 ] - [ 0.0033225500000000, 0.0003291300000000, 0.0015196000000000 ] - [ -0.0004131800000000, -0.0000904800000000, 0.0000536600000000 ] - [ -0.0001757800000000, -0.0000192700000000, 0.0000339400000000 ] - [ -0.0004371800000000, 0.0000954800000000, -0.0000309500000000 ] - [ 0.0088402600000000, -0.0054958300000000, 0.0009429100000000 ] - [ -0.0005541500000000, -0.0001939300000000, -0.0006744200000000 ] - [ -0.0000602400000000, 0.0001389700000000, 0.0002130600000000 ] - [ -0.0003702800000000, 0.0003044300000000, -0.0000765100000000 ] - [ 0.0012026200000000, 0.0005782800000000, -0.0011588500000000 ] - [ -0.0005467200000000, 0.0001531000000000, -0.0003142100000000 ] - [ 0.0007617100000000, 0.0001751100000000, 0.0001007500000000 ] - [ -0.0002889400000000, -0.0001140300000000, -0.0001444700000000 ] - [ 0.0003904100000000, -0.0001497000000000, 0.0002715400000000 ] - [ -0.0003887200000000, -0.0002873200000000, -0.0000696100000000 ] - [ 0.0003247900000000, -0.0007195500000000, 0.0002727200000000 ] - [ 0.0297393100000000, -0.0068802700000000, -0.0093519200000000 ] - [ -0.0006940700000000, -0.0004551400000000, -0.0003635400000000 ] - [ 0.0018647400000000, -0.0000380300000000, 0.0012580500000000 ] - [ -0.0007575500000000, 0.0005928500000000, -0.0005528600000000 ] - [ 0.0021938700000000, -0.0015593900000000, 0.0007460200000000 ] - [ -0.0005651000000000, -0.0005586400000000, -0.0000576700000000 ] - [ 0.0013114800000000, -0.0001974300000000, 0.0001791900000000 ] - [ -0.0004326300000000, 0.0008088000000000, -0.0002156600000000 ] - [ -0.0010132100000000, -0.0003747400000000, 0.0000365700000000 ] - [ -0.0018731100000000, -0.0010863200000000, -0.0034097600000000 ] - [ -0.0016516100000000, 0.0017300300000000, -0.0009589600000000 ] - [ -0.0007867800000000, 0.0005621700000000, 0.0008106800000000 ] - [ -0.0009328000000000, -0.0004786900000000, 0.0000022600000000 ] - [ 0.0017762900000000, 0.0004006700000000, 0.0005164100000000 ] - [ -0.0008894200000000, 0.0003659700000000, -0.0002756000000000 ] - [ 0.0004776900000000, 0.0016160400000000, 0.0017394200000000 ] - [ -0.0525550400000000, 0.0130561400000000, 0.0041985000000000 ] - [ 0.0007580000000000, 0.0003300500000000, -0.0000864900000000 ] - [ -0.0026945800000000, 0.0003233000000000, -0.0007723700000000 ] - [ 0.0005995400000000, 0.0001835400000000, -0.0000766200000000 ] - [ -0.0049444100000000, -0.0004589600000000, -0.0075061700000000 ] - [ 0.0004881400000000, 0.0000171400000000, 0.0005107800000000 ] - [ -0.0006676800000000, -0.0002669900000000, -0.0012730400000000 ] - [ 0.0006771300000000, -0.0003698900000000, 0.0001279900000000 ] - [ -0.0003808600000000, -0.0112137800000000, -0.0053880000000000 ] - [ 0.0014122000000000, -0.0002374900000000, 0.0003026600000000 ] - [ -0.0017251600000000, -0.0002392700000000, -0.0009634800000000 ] - [ 0.0005810700000000, -0.0001997900000000, 0.0000333800000000 ] - [ -0.0027858500000000, 0.0007132500000000, -0.0006107600000000 ] - [ 0.0004532400000000, -0.0000516900000000, 0.0004747100000000 ] - [ -0.0007955900000000, 0.0001049500000000, -0.0001607200000000 ] - [ 0.0003138000000000, 0.0002229700000000, 0.0006222000000000 ] - [ -0.0012115400000000, 0.0005023900000000, -0.0007771500000000 ] - [ 0.0012797100000000, 0.0002996000000000, 0.0003975800000000 ] - [ 0.0008815300000000, 0.0025713800000000, -0.0008241200000000 ] - [ 0.0011823800000000, -0.0003365100000000, 0.0004321700000000 ] - [ -0.0003863900000000, 0.0004623700000000, -0.0006494000000000 ] - [ 0.0005316200000000, -0.0000284700000000, 0.0002105400000000 ] - [ -0.0025913900000000, 0.0008119200000000, 0.0022537200000000 ] - [ 0.0002650900000000, -0.0002786200000000, 0.0006301400000000 ] - [ 0.0001804600000000, 0.0002485000000000, 0.0002439800000000 ] - [ 0.0008714700000000, 0.0000511900000000, 0.0005447100000000 ] - [ 0.0009913400000000, -0.0004912300000000, 0.0005419700000000 ] - [ 0.0014577100000000, 0.0013146700000000, -0.0004865500000000 ] - [ -0.0010454900000000, -0.0000352900000000, -0.0000698800000000 ] - [ 0.0004432900000000, -0.0001326300000000, -0.0001450400000000 ] - [ 0.0000547400000000, -0.0001374600000000, -0.0005203400000000 ] - [ 0.0006878300000000, 0.0009243600000000, 0.0006398800000000 ] - [ 0.0013226100000000, 0.0001662600000000, -0.0008854800000000 ] - [ 0.0038944300000000, 0.0006463800000000, 0.0020295900000000 ] - [ 0.0004606100000000, -0.0001064400000000, 0.0002436200000000 ] - [ -0.0001427100000000, -0.0005278700000000, 0.0016822100000000 ] - [ 0.0017210300000000, -0.0011360400000000, 0.0013285900000000 ] - [ 0.0001873800000000, 0.0000213900000000, -0.0007040800000000 ] - [ 0.0000228200000000, 0.0000092800000000, -0.0000221800000000 ] - [ -0.0007230700000000, -0.0025188900000000, 0.0017769800000000 ] - [ 0.0005796600000000, -0.0006747100000000, 0.0001806900000000 ] - [ 0.0002648700000000, 0.0001061500000000, -0.0008894800000000 ] - [ 0.0007916000000000, -0.0000067700000000, -0.0002998200000000 ] - [ -0.0008393500000000, -0.0001374900000000, -0.0006290000000000 ] - [ 0.0012719700000000, 0.0001437300000000, 0.0005302200000000 ] - [ -0.0002677300000000, 0.0067049300000000, 0.0078777400000000 ] - [ -0.0000080200000000, 0.0001374600000000, 0.0002253000000000 ] - [ -0.0005772000000000, -0.0001843300000000, -0.0005185100000000 ] - [ 0.0004075800000000, 0.0003073400000000, 0.0004007100000000 ] - [ -0.0012215800000000, 0.0000073100000000, 0.0002453600000000 ] - [ 0.0007268600000000, 0.0001262800000000, -0.0000269100000000 ] - [ -0.0003600900000000, -0.0001577300000000, -0.0010781700000000 ] - [ 0.0016348700000000, -0.0003992200000000, 0.0008882200000000 ] - [ -0.0001554200000000, 0.0004624200000000, -0.0015955000000000 ] - [ 0.0007025500000000, -0.0000670600000000, 0.0006273000000000 ] - [ 0.0004670500000000, -0.0022736200000000, -0.0019649300000000 ]- atom: 81 displacement: [ -0.0099997439015081, 0.0000000000000000, -0.0000715674804079 ] forces: - [ -0.0013771000000000, 0.0002980500000000, -0.0000321000000000 ] - [ 0.0004206200000000, 0.0003566200000000, 0.0000331000000000 ] - [ -0.0010624800000000, -0.0000784500000000, -0.0003451000000000 ] - [ 0.0003583100000000, 0.0001643700000000, 0.0001184900000000 ] - [ -0.0004322800000000, -0.0000562700000000, -0.0002793400000000 ] - [ 0.0005166100000000, -0.0001427000000000, 0.0002295100000000 ] - [ -0.0003521100000000, -0.0002228400000000, -0.0010316400000000 ] - [ 0.0004446000000000, -0.0003493300000000, 0.0001621000000000 ] - [ 0.0003426100000000, 0.0022942500000000, -0.0020338000000000 ] - [ 0.0006084200000000, -0.0000703600000000, 0.0003472800000000 ] - [ -0.0033094700000000, -0.0002354400000000, -0.0006485900000000 ] - [ 0.0004353300000000, -0.0001561300000000, 0.0001263900000000 ] - [ 0.0005751300000000, -0.0002426300000000, -0.0012449600000000 ] - [ 0.0008245300000000, 0.0001167300000000, 0.0001238700000000 ] - [ -0.0011835900000000, -0.0002475900000000, -0.0003026700000000 ] - [ 0.0005644800000000, 0.0001552500000000, 0.0001466000000000 ] - [ 0.0008347900000000, -0.0004755900000000, 0.0002386100000000 ] - [ 0.0009886000000000, 0.0005087500000000, 0.0003584900000000 ] - [ 0.0000191200000000, -0.0001063500000000, -0.0000331400000000 ] - [ 0.0004387200000000, 0.0000210700000000, 0.0004947500000000 ] - [ -0.0003161000000000, 0.0000195900000000, 0.0001770800000000 ] - [ 0.0004502200000000, 0.0000044900000000, 0.0003070000000000 ] - [ 0.0025011400000000, -0.0006585800000000, -0.0007218500000000 ] - [ 0.0007178900000000, 0.0005508400000000, -0.0003334900000000 ] - [ -0.0050122600000000, 0.0016233100000000, -0.0011087600000000 ] - [ 0.0007467000000000, -0.0000289100000000, -0.0001200700000000 ] - [ 0.0005085600000000, 0.0004460200000000, 0.0001347600000000 ] - [ 0.0006335500000000, 0.0001873700000000, 0.0005164400000000 ] - [ 0.0002057400000000, -0.0003240600000000, 0.0006041300000000 ] - [ 0.0009003700000000, -0.0003874100000000, 0.0004987800000000 ] - [ 0.0012446800000000, 0.0003569000000000, -0.0001498300000000 ] - [ 0.0013748700000000, -0.0004608400000000, -0.0009532200000000 ] - [ -0.0103097200000000, -0.0056651400000000, -0.0040062800000000 ] - [ 0.0005802600000000, -0.0000019800000000, 0.0003431900000000 ] - [ -0.0002337900000000, 0.0004202600000000, -0.0004682900000000 ] - [ 0.0001350100000000, -0.0001893500000000, 0.0005383700000000 ] - [ -0.0004623500000000, -0.0004341200000000, 0.0000694600000000 ] - [ -0.0000068100000000, -0.0002858800000000, -0.0001194500000000 ] - [ 0.0001811900000000, 0.0002170800000000, 0.0002107300000000 ] - [ 0.0001330500000000, -0.0005191400000000, 0.0000663800000000 ] - [ 0.0006580200000000, 0.0005827000000000, 0.0009338600000000 ] - [ 0.0005884700000000, -0.0003793500000000, 0.0003500000000000 ] - [ 0.0002487300000000, -0.0001907400000000, -0.0002154100000000 ] - [ -0.0001380100000000, 0.0011048300000000, -0.0001734100000000 ] - [ -0.0000083700000000, -0.0000873700000000, -0.0002412200000000 ] - [ -0.0001421200000000, 0.0003352900000000, -0.0000666200000000 ] - [ -0.0004810000000000, -0.0004648700000000, -0.0000315600000000 ] - [ -0.0003925900000000, -0.0000904400000000, -0.0002572300000000 ] - [ 0.0004253100000000, -0.0001898300000000, 0.0000059100000000 ] - [ -0.0034309200000000, -0.0004531500000000, -0.0017317800000000 ] - [ -0.0000902300000000, -0.0000291200000000, 0.0003018700000000 ] - [ -0.0003261900000000, -0.0001012800000000, 0.0003210200000000 ] - [ 0.0004495300000000, 0.0001780500000000, 0.0000685100000000 ] - [ -0.0086137800000000, 0.0054534300000000, -0.0008316900000000 ] - [ 0.0002827600000000, 0.0002734400000000, 0.0002645100000000 ] - [ -0.0002108100000000, -0.0000594400000000, -0.0006209900000000 ] - [ 0.0002851100000000, 0.0003977500000000, 0.0001123100000000 ] - [ -0.0012768800000000, 0.0001131900000000, 0.0011983100000000 ] - [ 0.0002153900000000, 0.0001368300000000, 0.0001685800000000 ] - [ -0.0010887700000000, 0.0001195000000000, -0.0002356700000000 ] - [ 0.0003004100000000, -0.0001593100000000, 0.0001825200000000 ] - [ -0.0003777100000000, -0.0001218100000000, -0.0002318900000000 ] - [ 0.0003034500000000, -0.0004144800000000, 0.0001051500000000 ] - [ -0.0004088000000000, 0.0000168200000000, -0.0002363000000000 ] - [ -0.0291242400000000, 0.0057384900000000, 0.0088676500000000 ] - [ 0.0011524400000000, -0.0005620700000000, 0.0000692800000000 ] - [ -0.0013992000000000, 0.0010536800000000, -0.0015460800000000 ] - [ 0.0012172500000000, 0.0004238600000000, 0.0002589200000000 ] - [ -0.0017934900000000, 0.0002561000000000, -0.0004249800000000 ] - [ 0.0009706100000000, -0.0007527600000000, 0.0003830000000000 ] - [ -0.0009078400000000, 0.0015121300000000, 0.0001524700000000 ] - [ 0.0008394000000000, 0.0005037100000000, 0.0005411700000000 ] - [ 0.0006051400000000, -0.0009410600000000, -0.0003650000000000 ] - [ 0.0014994000000000, -0.0002491000000000, 0.0030776600000000 ] - [ 0.0012479800000000, -0.0004233200000000, 0.0006335500000000 ] - [ 0.0003787300000000, 0.0007487000000000, -0.0011287200000000 ] - [ 0.0004741100000000, -0.0005371000000000, 0.0002913200000000 ] - [ -0.0022313400000000, -0.0014109700000000, -0.0002244700000000 ] - [ 0.0004307700000000, 0.0006519600000000, 0.0005702600000000 ] - [ -0.0009386500000000, -0.0005996500000000, -0.0014406300000000 ] - [ 0.0522643700000000, -0.0118504100000000, -0.0040874200000000 ] - [ -0.0006569300000000, 0.0003435500000000, -0.0004063700000000 ] - [ 0.0021532600000000, 0.0000989700000000, 0.0001340000000000 ] - [ -0.0011402500000000, 0.0002370100000000, -0.0005642000000000 ] - [ 0.0045738800000000, 0.0005035400000000, 0.0080898100000000 ] - [ -0.0009190200000000, 0.0000304200000000, 0.0001410800000000 ] - [ 0.0007686600000000, -0.0004098200000000, 0.0007741100000000 ] - [ -0.0005766400000000, -0.0003035600000000, -0.0006207100000000 ] - [ 0.0014579100000000, 0.0108824600000000, 0.0055245900000000 ] - [ -0.0004001200000000, -0.0000984100000000, -0.0001659900000000 ] - [ 0.0011863500000000, -0.0001839400000000, 0.0003201100000000 ] - [ -0.0011230900000000, -0.0002214700000000, -0.0006748800000000 ] - [ 0.0023478500000000, -0.0007642200000000, 0.0012629200000000 ] - [ -0.0008849300000000, 0.0000050100000000, 0.0001768500000000 ] - [ 0.0003471700000000, 0.0002359400000000, 0.0010865800000000 ] - [ -0.0007643600000000, 0.0001248200000000, 0.0003017000000000 ] - [ 0.0022254900000000, -0.0001657200000000, 0.0009134900000000 ] - [ -0.0002692600000000, 0.0000366800000000, -0.0002620900000000 ] - [ 0.0000358800000000, -0.0025705600000000, 0.0014187700000000 ] - [ -0.0002634200000000, 0.0003505100000000, 0.0001509300000000 ] - [ 0.0001734700000000, -0.0001849900000000, 0.0002220600000000 ] - [ -0.0007487900000000, 0.0003019600000000, -0.0006340500000000 ] - [ 0.0021517400000000, -0.0011649900000000, -0.0013446200000000 ] - [ -0.0007163100000000, -0.0000689600000000, 0.0002932400000000 ] - [ 0.0007393600000000, -0.0002654200000000, 0.0003372700000000 ] - [ 0.0000455900000000, -0.0000666200000000, 0.0000383100000000 ] - [ -0.0007741900000000, 0.0007683300000000, -0.0001161600000000 ] - [ -0.0012343500000000, -0.0010344000000000, 0.0009087400000000 ] - [ 0.0008308400000000, -0.0002452600000000, -0.0003521300000000 ] - [ -0.0006601900000000, -0.0001411800000000, -0.0002795100000000 ] - [ -0.0009677600000000, 0.0001525300000000, -0.0000611300000000 ] - [ -0.0016175100000000, -0.0009094700000000, -0.0012231100000000 ] - [ -0.0008744000000000, 0.0001840100000000, -0.0000350700000000 ] - [ -0.0034308800000000, -0.0002895000000000, -0.0029329000000000 ] - [ -0.0002427300000000, -0.0001655600000000, 0.0001804700000000 ] - [ 0.0003490900000000, 0.0002593300000000, -0.0012596500000000 ] - [ -0.0026437200000000, 0.0011333600000000, -0.0019201000000000 ] - [ -0.0011051600000000, -0.0000355800000000, 0.0001171100000000 ] - [ -0.0010359500000000, -0.0003469100000000, -0.0001139200000000 ] - [ -0.0002889700000000, 0.0021747600000000, -0.0019012500000000 ] - [ -0.0001285300000000, 0.0003283300000000, -0.0011060400000000 ] - [ 0.0001835400000000, -0.0004548800000000, -0.0000393700000000 ] - [ -0.0003609600000000, 0.0000531600000000, -0.0003513800000000 ] - [ 0.0012676400000000, 0.0001799300000000, -0.0000219600000000 ] - [ -0.0007303600000000, 0.0002782200000000, 0.0001114400000000 ] - [ 0.0007559500000000, -0.0062779700000000, -0.0072414400000000 ] - [ -0.0010045800000000, 0.0001970700000000, -0.0003621800000000 ] - [ -0.0004357900000000, 0.0005206500000000, 0.0003796800000000 ] - [ -0.0005093600000000, 0.0003643200000000, 0.0000928500000000 ] - [ 0.0011167300000000, 0.0006603300000000, 0.0002483200000000 ] - [ -0.0002971500000000, -0.0001741000000000, -0.0006252800000000 ] - [ 0.0007896100000000, 0.0001145300000000, 0.0004211700000000 ] - [ -0.0010962900000000, -0.0000201000000000, -0.0002480400000000 ] - [ 0.0006928100000000, -0.0008824800000000, 0.0022244400000000 ] - [ -0.0008063000000000, -0.0006074000000000, -0.0001354600000000 ] - [ -0.0005680500000000, 0.0015990700000000, 0.0024492500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003730900000000, -0.0027163400000000, 0.0002604500000000 ] - [ 0.0000438500000000, 0.0002686100000000, -0.0000245300000000 ] - [ -0.0002079500000000, -0.0015622300000000, -0.0007981000000000 ] - [ -0.0000314700000000, 0.0000505300000000, -0.0000223900000000 ] - [ 0.0001605900000000, -0.0006487300000000, 0.0003042200000000 ] - [ 0.0001621500000000, -0.0001865700000000, 0.0000537700000000 ] - [ 0.0001745600000000, 0.0003511400000000, -0.0003228200000000 ] - [ 0.0000226800000000, -0.0002288200000000, -0.0000287100000000 ] - [ -0.0021556600000000, -0.0009362600000000, 0.0030835000000000 ] - [ 0.0001914500000000, 0.0000543600000000, 0.0002300900000000 ] - [ -0.0001783400000000, 0.0034639400000000, 0.0000463800000000 ] - [ -0.0000450200000000, -0.0000098400000000, -0.0000400400000000 ] - [ 0.0007832800000000, 0.0005588900000000, -0.0011522800000000 ] - [ 0.0001295000000000, 0.0001307100000000, -0.0001927400000000 ] - [ 0.0004522500000000, -0.0021531500000000, -0.0005224600000000 ] - [ 0.0001270800000000, 0.0001106300000000, 0.0000806600000000 ] - [ 0.0013761600000000, -0.0011880400000000, 0.0004738100000000 ] - [ 0.0003855100000000, 0.0000733300000000, 0.0002173900000000 ] - [ 0.0004626600000000, -0.0007202500000000, 0.0001036900000000 ] - [ 0.0000781700000000, -0.0002169400000000, 0.0002919700000000 ] - [ 0.0002771300000000, -0.0010596900000000, 0.0005025500000000 ] - [ 0.0001278500000000, -0.0000700100000000, 0.0002069500000000 ] - [ 0.0013662700000000, 0.0013261300000000, -0.0001901700000000 ] - [ -0.0006375700000000, 0.0005667400000000, -0.0004099500000000 ] - [ -0.0011573600000000, 0.0058001700000000, -0.0010628800000000 ] - [ 0.0001818800000000, -0.0000196200000000, -0.0002063500000000 ] - [ 0.0001081300000000, 0.0000371900000000, 0.0004572500000000 ] - [ 0.0005824500000000, 0.0001711000000000, 0.0004741600000000 ] - [ 0.0002823900000000, 0.0005916900000000, -0.0004601700000000 ] - [ 0.0005599700000000, -0.0000764600000000, 0.0002536000000000 ] - [ -0.0009975100000000, 0.0005187400000000, -0.0002188200000000 ] - [ 0.0008652400000000, 0.0008595600000000, -0.0005235700000000 ] - [ 0.0073344200000000, 0.0073805200000000, 0.0043522500000000 ] - [ 0.0002098900000000, 0.0001488500000000, 0.0003124400000000 ] - [ -0.0009044800000000, 0.0006007000000000, -0.0002460600000000 ] - [ 0.0000552400000000, 0.0006431600000000, 0.0003699900000000 ] - [ -0.0000036600000000, -0.0001375500000000, 0.0001280500000000 ] - [ -0.0004560700000000, -0.0003039800000000, -0.0005445800000000 ] - [ -0.0006007900000000, -0.0001978200000000, 0.0001685600000000 ] - [ 0.0003604100000000, -0.0006886900000000, 0.0001149900000000 ] - [ -0.0003528800000000, -0.0015027400000000, -0.0000989300000000 ] - [ 0.0005352000000000, -0.0004277200000000, 0.0003762700000000 ] - [ 0.0001231100000000, -0.0002176300000000, -0.0002084000000000 ] - [ -0.0007878700000000, -0.0011200200000000, -0.0001386900000000 ] - [ -0.0000561100000000, -0.0002204700000000, -0.0003027400000000 ] - [ -0.0003130200000000, -0.0005422400000000, -0.0006087200000000 ] - [ -0.0004296400000000, -0.0009207500000000, -0.0000419000000000 ] - [ -0.0006289200000000, -0.0005946500000000, -0.0002413400000000 ] - [ -0.0000417200000000, -0.0000528700000000, -0.0000729400000000 ] - [ -0.0002488700000000, 0.0027538000000000, 0.0009309100000000 ] - [ -0.0004562200000000, -0.0001702400000000, 0.0000199900000000 ] - [ -0.0001158300000000, -0.0002337600000000, 0.0003723400000000 ] - [ -0.0000984900000000, 0.0002506900000000, 0.0000303800000000 ] - [ -0.0065843600000000, 0.0086102600000000, -0.0008108400000000 ] - [ -0.0003195600000000, 0.0003445000000000, -0.0003548300000000 ] - [ 0.0001352100000000, 0.0006404800000000, -0.0002851800000000 ] - [ -0.0000948200000000, 0.0004620500000000, -0.0000146500000000 ] - [ 0.0004841600000000, 0.0008956700000000, 0.0019374700000000 ] - [ -0.0001283000000000, 0.0001920300000000, -0.0000397700000000 ] - [ -0.0001733100000000, 0.0003315200000000, -0.0009681000000000 ] - [ 0.0000044800000000, -0.0002902700000000, 0.0000291700000000 ] - [ -0.0001332500000000, -0.0007811900000000, -0.0001153900000000 ] - [ 0.0000097100000000, -0.0005565900000000, 0.0000372700000000 ] - [ -0.0002693000000000, -0.0012752500000000, 0.0001285300000000 ] - [ -0.0061687000000000, 0.0534260000000000, 0.0364708900000000 ] - [ 0.0002528300000000, -0.0003693100000000, -0.0001266400000000 ] - [ -0.0001720200000000, 0.0017965800000000, 0.0013441300000000 ] - [ 0.0002907600000000, 0.0004785400000000, -0.0001412900000000 ] - [ -0.0005414000000000, -0.0037029200000000, 0.0000298600000000 ] - [ 0.0003154000000000, -0.0009273000000000, 0.0002001200000000 ] - [ 0.0005978900000000, -0.0008723600000000, -0.0011755700000000 ] - [ 0.0001792700000000, 0.0006531400000000, 0.0002011400000000 ] - [ 0.0001183600000000, -0.0001229500000000, -0.0001105200000000 ] - [ -0.0048180500000000, 0.0026722000000000, -0.0009927200000000 ] - [ 0.0000151500000000, 0.0008664500000000, 0.0001894700000000 ] - [ -0.0010055900000000, 0.0009511700000000, 0.0002133100000000 ] - [ -0.0003317500000000, -0.0007068600000000, 0.0001130600000000 ] - [ 0.0005410300000000, -0.0031181800000000, 0.0005652300000000 ] - [ -0.0003626400000000, 0.0004722600000000, 0.0000106900000000 ] - [ 0.0002996600000000, -0.0007427800000000, -0.0009505800000000 ] - [ 0.0130757000000000, -0.0911521400000000, -0.0585277400000000 ] - [ 0.0000439300000000, 0.0001648700000000, -0.0002829200000000 ] - [ -0.0000800200000000, 0.0034837800000000, -0.0011666500000000 ] - [ -0.0002748900000000, 0.0002798700000000, -0.0003273000000000 ] - [ 0.0000213100000000, -0.0068598800000000, -0.0000824500000000 ] - [ -0.0001905100000000, -0.0001548500000000, 0.0003343400000000 ] - [ -0.0000205600000000, -0.0001687900000000, -0.0001667100000000 ] - [ 0.0000834800000000, -0.0002455200000000, -0.0002375800000000 ] - [ -0.0107018700000000, 0.0129890900000000, 0.0099754400000000 ] - [ 0.0006270200000000, -0.0001957300000000, 0.0000727700000000 ] - [ -0.0005665100000000, 0.0007691500000000, 0.0001092300000000 ] - [ -0.0001809100000000, -0.0001274200000000, -0.0002888600000000 ] - [ 0.0008634400000000, 0.0016407600000000, -0.0019615700000000 ] - [ -0.0002545000000000, 0.0000543600000000, 0.0003333900000000 ] - [ 0.0000165500000000, 0.0025297400000000, 0.0000698300000000 ] - [ -0.0002705300000000, 0.0004808800000000, 0.0004659500000000 ] - [ 0.0008762800000000, -0.0020377800000000, -0.0002608800000000 ] - [ 0.0005739900000000, 0.0000594600000000, 0.0001240100000000 ] - [ 0.0018402900000000, 0.0028567700000000, -0.0007558100000000 ] - [ 0.0000887700000000, 0.0001012200000000, 0.0002186200000000 ] - [ 0.0000876500000000, 0.0002278600000000, -0.0000022900000000 ] - [ -0.0001815900000000, 0.0000509900000000, -0.0003231900000000 ] - [ -0.0004762500000000, 0.0017633200000000, 0.0036314700000000 ] - [ -0.0002518500000000, -0.0002814600000000, 0.0004814900000000 ] - [ 0.0006122200000000, 0.0012294500000000, 0.0006679400000000 ] - [ 0.0003653500000000, 0.0001906300000000, 0.0002126300000000 ] - [ -0.0004691500000000, 0.0001800000000000, -0.0003231900000000 ] - [ 0.0012300800000000, 0.0007545200000000, -0.0001255900000000 ] - [ -0.0001506300000000, 0.0022276500000000, -0.0000625900000000 ] - [ -0.0001014600000000, 0.0001115900000000, -0.0001846500000000 ] - [ -0.0012037700000000, -0.0001494000000000, -0.0001692200000000 ] - [ 0.0011642100000000, 0.0000156000000000, 0.0000985300000000 ] - [ -0.0000127200000000, -0.0005885100000000, -0.0004661000000000 ] - [ 0.0004812300000000, -0.0031440000000000, -0.0011525000000000 ] - [ 0.0001412200000000, -0.0006467200000000, 0.0003439500000000 ] - [ 0.0005873200000000, -0.0017324600000000, 0.0008835800000000 ] - [ -0.0012033300000000, -0.0018517100000000, -0.0005394900000000 ] - [ -0.0002380700000000, -0.0006325100000000, -0.0002323700000000 ] - [ -0.0002384500000000, -0.0001096700000000, -0.0000449600000000 ] - [ -0.0013259700000000, 0.0022897800000000, -0.0021445900000000 ] - [ -0.0000212000000000, -0.0000501600000000, -0.0006596600000000 ] - [ 0.0004853000000000, 0.0000312600000000, -0.0004039600000000 ] - [ 0.0002675600000000, 0.0003152800000000, -0.0003150000000000 ] - [ 0.0000873000000000, 0.0020883800000000, 0.0000010000000000 ] - [ 0.0001347900000000, 0.0000897800000000, 0.0002794800000000 ] - [ 0.0078315700000000, 0.0025442400000000, 0.0096453200000000 ] - [ -0.0002265100000000, 0.0004896000000000, 0.0000656500000000 ] - [ -0.0009343800000000, 0.0012705900000000, 0.0000749400000000 ] - [ -0.0000221800000000, 0.0005606600000000, 0.0002372200000000 ] - [ 0.0002800800000000, 0.0022922800000000, -0.0002563300000000 ] - [ 0.0003425300000000, -0.0001252500000000, -0.0002209600000000 ] - [ -0.0001044700000000, -0.0000278200000000, -0.0000141000000000 ] - [ 0.0001077900000000, -0.0003510400000000, 0.0002023500000000 ] - [ 0.0007843500000000, -0.0010488500000000, -0.0003291600000000 ] - [ 0.0002178100000000, -0.0003617600000000, 0.0003727600000000 ] - [ -0.0019986800000000, 0.0009960000000000, 0.0022059400000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004571600000000, 0.0034095200000000, -0.0002959100000000 ] - [ 0.0000414600000000, 0.0004346000000000, -0.0000111000000000 ] - [ 0.0001952100000000, 0.0018413300000000, 0.0007586000000000 ] - [ 0.0000196700000000, 0.0002238000000000, -0.0000155700000000 ] - [ 0.0001706200000000, 0.0003579900000000, -0.0001608100000000 ] - [ 0.0001686800000000, -0.0001027300000000, 0.0000923800000000 ] - [ -0.0000918300000000, -0.0010605900000000, 0.0002918100000000 ] - [ 0.0000627100000000, -0.0004735900000000, -0.0000068100000000 ] - [ 0.0024267400000000, 0.0008313400000000, -0.0026808700000000 ] - [ 0.0000808600000000, -0.0001342000000000, 0.0001819900000000 ] - [ 0.0001926800000000, -0.0037617000000000, -0.0001353800000000 ] - [ 0.0000336200000000, -0.0002635600000000, 0.0000021600000000 ] - [ -0.0002894900000000, -0.0004320300000000, 0.0007985000000000 ] - [ 0.0003746100000000, -0.0000098600000000, -0.0001618200000000 ] - [ -0.0001246300000000, 0.0024569200000000, 0.0006762400000000 ] - [ 0.0002041200000000, 0.0001799600000000, 0.0000653500000000 ] - [ -0.0002504600000000, 0.0017419400000000, 0.0000118900000000 ] - [ 0.0007407400000000, 0.0004791100000000, 0.0002692600000000 ] - [ -0.0002055200000000, 0.0006732700000000, 0.0005272200000000 ] - [ 0.0001793800000000, 0.0001692800000000, 0.0003406900000000 ] - [ -0.0000056300000000, 0.0011418700000000, -0.0000890900000000 ] - [ 0.0001447100000000, 0.0001508400000000, 0.0002052500000000 ] - [ -0.0020099600000000, -0.0006311100000000, -0.0005465100000000 ] - [ 0.0000038800000000, 0.0001222900000000, -0.0003258700000000 ] - [ 0.0015542800000000, -0.0057925100000000, 0.0005498300000000 ] - [ 0.0003217100000000, -0.0001000300000000, -0.0001483500000000 ] - [ 0.0005273400000000, 0.0006514600000000, 0.0002767800000000 ] - [ 0.0000512900000000, 0.0005183200000000, 0.0002603100000000 ] - [ 0.0008401500000000, -0.0011449300000000, 0.0009480600000000 ] - [ 0.0005665700000000, -0.0004749500000000, 0.0002330800000000 ] - [ 0.0007436800000000, -0.0005702900000000, -0.0004158400000000 ] - [ -0.0011254500000000, -0.0009130800000000, -0.0001065200000000 ] - [ -0.0073559300000000, -0.0074999100000000, -0.0038879400000000 ] - [ 0.0000472800000000, -0.0001000900000000, 0.0003200600000000 ] - [ -0.0002222000000000, -0.0000513600000000, -0.0002408500000000 ] - [ -0.0011833900000000, -0.0000951300000000, -0.0008605600000000 ] - [ -0.0006327000000000, -0.0005496200000000, -0.0008618100000000 ] - [ -0.0001774900000000, -0.0003835300000000, -0.0001898300000000 ] - [ 0.0000995600000000, 0.0003190100000000, 0.0001861500000000 ] - [ -0.0008672100000000, 0.0008129600000000, 0.0002416900000000 ] - [ 0.0009897700000000, 0.0008191400000000, 0.0008368700000000 ] - [ 0.0000990800000000, -0.0002601600000000, 0.0003592200000000 ] - [ -0.0003946900000000, 0.0001390800000000, -0.0002038600000000 ] - [ 0.0005150000000000, 0.0010442600000000, -0.0002750400000000 ] - [ -0.0002007900000000, 0.0002704600000000, -0.0003297300000000 ] - [ 0.0000564700000000, 0.0005943200000000, -0.0000238000000000 ] - [ -0.0006950600000000, 0.0003716700000000, -0.0004434500000000 ] - [ -0.0004965000000000, 0.0000457600000000, -0.0002449600000000 ] - [ -0.0002888600000000, -0.0002366500000000, -0.0000733300000000 ] - [ 0.0000163800000000, -0.0029909800000000, -0.0011067000000000 ] - [ -0.0000462700000000, 0.0000509200000000, 0.0003357100000000 ] - [ -0.0003867800000000, 0.0001135300000000, -0.0000185100000000 ] - [ 0.0001109500000000, 0.0000227100000000, 0.0000075300000000 ] - [ 0.0069415800000000, -0.0086190200000000, 0.0009421400000000 ] - [ 0.0000481200000000, -0.0002654900000000, -0.0000561400000000 ] - [ -0.0004055500000000, -0.0005620200000000, -0.0001238400000000 ] - [ 0.0000099800000000, 0.0002402700000000, 0.0000505300000000 ] - [ -0.0005624800000000, -0.0002080500000000, -0.0019061600000000 ] - [ -0.0002024300000000, 0.0000987000000000, -0.0001060600000000 ] - [ -0.0001541200000000, -0.0000357100000000, 0.0008290700000000 ] - [ 0.0000076900000000, 0.0000177000000000, 0.0000091600000000 ] - [ 0.0001450500000000, 0.0005104900000000, 0.0001534200000000 ] - [ -0.0000940700000000, -0.0001445000000000, -0.0000013600000000 ] - [ 0.0001831000000000, 0.0005761100000000, -0.0000921900000000 ] - [ 0.0063135100000000, -0.0534569200000000, -0.0345908100000000 ] - [ 0.0002067500000000, -0.0006472600000000, -0.0001669700000000 ] - [ 0.0006309400000000, -0.0007709100000000, -0.0016351700000000 ] - [ 0.0001689500000000, 0.0005392600000000, -0.0001525900000000 ] - [ 0.0009544100000000, 0.0023978200000000, 0.0002952400000000 ] - [ 0.0000905300000000, -0.0003832800000000, 0.0001256900000000 ] - [ -0.0001930800000000, 0.0021843700000000, 0.0015063500000000 ] - [ 0.0002276000000000, 0.0006591800000000, 0.0001241800000000 ] - [ -0.0005252000000000, -0.0011883400000000, -0.0002146300000000 ] - [ 0.0044280200000000, -0.0039854500000000, 0.0006750400000000 ] - [ -0.0004210400000000, 0.0004479500000000, -0.0005148200000000 ] - [ 0.0006022800000000, 0.0003613700000000, -0.0005368400000000 ] - [ -0.0001261900000000, -0.0003086500000000, 0.0001803100000000 ] - [ -0.0010044800000000, 0.0021113900000000, -0.0002759600000000 ] - [ -0.0000951900000000, 0.0005450100000000, 0.0002834000000000 ] - [ -0.0007611900000000, 0.0017596300000000, 0.0012488900000000 ] - [ -0.0126627300000000, 0.0910553200000000, 0.0561394600000000 ] - [ 0.0000570900000000, 0.0005092900000000, -0.0002101400000000 ] - [ -0.0004625700000000, -0.0030769200000000, 0.0005338700000000 ] - [ -0.0002658500000000, 0.0001416400000000, -0.0003136000000000 ] - [ -0.0004205200000000, 0.0068941400000000, 0.0006098300000000 ] - [ -0.0002407500000000, 0.0002030800000000, 0.0003171300000000 ] - [ 0.0001235500000000, -0.0005106200000000, -0.0003277300000000 ] - [ 0.0000172600000000, -0.0004280000000000, -0.0002549900000000 ] - [ 0.0115874900000000, -0.0132431700000000, -0.0097362700000000 ] - [ 0.0003841400000000, -0.0001402900000000, 0.0000634000000000 ] - [ 0.0000277800000000, -0.0011900400000000, -0.0007530900000000 ] - [ -0.0003607200000000, -0.0002931200000000, -0.0003524600000000 ] - [ -0.0012914200000000, -0.0016923700000000, 0.0026063800000000 ] - [ -0.0001770300000000, -0.0001012700000000, 0.0003180600000000 ] - [ -0.0004687500000000, -0.0021834500000000, 0.0008572100000000 ] - [ -0.0001793600000000, -0.0001331300000000, 0.0004576100000000 ] - [ 0.0001393600000000, 0.0023710000000000, 0.0004001600000000 ] - [ 0.0004367900000000, 0.0002773100000000, 0.0000116700000000 ] - [ -0.0009274200000000, -0.0028450300000000, 0.0013443700000000 ] - [ 0.0008311700000000, -0.0000855500000000, 0.0003645800000000 ] - [ -0.0003011800000000, 0.0000521000000000, -0.0004236000000000 ] - [ -0.0000351200000000, 0.0002240300000000, -0.0001007500000000 ] - [ 0.0000297900000000, -0.0021092800000000, -0.0027175300000000 ] - [ -0.0001989800000000, -0.0000649100000000, 0.0004423800000000 ] - [ 0.0003068200000000, -0.0012441300000000, -0.0000863100000000 ] - [ 0.0005530000000000, -0.0002055400000000, 0.0003708600000000 ] - [ 0.0006850500000000, 0.0000922500000000, 0.0007478100000000 ] - [ -0.0010153800000000, -0.0004813400000000, 0.0005509800000000 ] - [ -0.0000671300000000, -0.0025039900000000, -0.0003632800000000 ] - [ -0.0001152800000000, -0.0003856600000000, -0.0002403800000000 ] - [ 0.0002866500000000, 0.0001620500000000, -0.0004130100000000 ] - [ -0.0020861100000000, -0.0000024300000000, -0.0006827300000000 ] - [ 0.0004649300000000, 0.0009380100000000, -0.0004569900000000 ] - [ -0.0000425300000000, 0.0035041800000000, 0.0002278100000000 ] - [ 0.0000760900000000, 0.0003739200000000, 0.0000802900000000 ] - [ -0.0003763300000000, 0.0014609900000000, -0.0004606700000000 ] - [ 0.0002870300000000, 0.0018382700000000, -0.0000405700000000 ] - [ -0.0006814000000000, 0.0006194000000000, -0.0003524600000000 ] - [ -0.0007752700000000, -0.0002268700000000, -0.0000914600000000 ] - [ 0.0003169300000000, -0.0026342500000000, 0.0020219200000000 ] - [ 0.0004713300000000, -0.0002986600000000, -0.0002649300000000 ] - [ -0.0000371500000000, -0.0003815800000000, -0.0005216800000000 ] - [ 0.0001624800000000, -0.0002680900000000, -0.0003363300000000 ] - [ 0.0003468800000000, -0.0020464000000000, -0.0006524200000000 ] - [ 0.0004061900000000, 0.0003315100000000, 0.0003614100000000 ] - [ -0.0072730500000000, -0.0021465200000000, -0.0089628900000000 ] - [ -0.0007869000000000, -0.0001535600000000, -0.0002028600000000 ] - [ -0.0000772500000000, -0.0009340500000000, -0.0002131600000000 ] - [ -0.0000794600000000, 0.0001114000000000, 0.0002568700000000 ] - [ -0.0003805200000000, -0.0016245200000000, 0.0007542000000000 ] - [ 0.0000872700000000, 0.0000787900000000, -0.0004309200000000 ] - [ 0.0005344900000000, -0.0000132000000000, -0.0006417400000000 ] - [ 0.0004328700000000, -0.0000692100000000, 0.0004385100000000 ] - [ -0.0002466000000000, 0.0006252500000000, 0.0009677900000000 ] - [ -0.0003207800000000, -0.0003103000000000, 0.0001200800000000 ] - [ 0.0019020800000000, -0.0016653000000000, -0.0017254100000000 ]- atom: 81 displacement: [ -0.0030577532044204, 0.0000000000000000, 0.0095210369887348 ] forces: - [ -0.0003327100000000, 0.0003843000000000, 0.0011970500000000 ] - [ 0.0000697000000000, 0.0003397900000000, -0.0000009000000000 ] - [ -0.0000245800000000, -0.0011591900000000, -0.0004538100000000 ] - [ -0.0000315600000000, 0.0001104900000000, -0.0000318500000000 ] - [ 0.0002518400000000, 0.0001134200000000, -0.0003630200000000 ] - [ 0.0001228100000000, -0.0001528500000000, 0.0000472000000000 ] - [ 0.0009494400000000, 0.0003264300000000, -0.0026790100000000 ] - [ -0.0000554000000000, -0.0003279800000000, -0.0000567900000000 ] - [ 0.0025750300000000, 0.0040091500000000, -0.0001028000000000 ] - [ 0.0001110400000000, -0.0000138600000000, 0.0002415300000000 ] - [ -0.0004181300000000, -0.0008092400000000, 0.0022779400000000 ] - [ -0.0000634900000000, -0.0001271600000000, -0.0000284000000000 ] - [ 0.0020218600000000, -0.0007326400000000, -0.0017334400000000 ] - [ 0.0000799600000000, 0.0000836900000000, -0.0001668600000000 ] - [ 0.0001096100000000, -0.0010275600000000, 0.0006780300000000 ] - [ 0.0001635000000000, 0.0001408300000000, 0.0000836300000000 ] - [ 0.0009382700000000, -0.0002521000000000, 0.0007849900000000 ] - [ 0.0005533700000000, 0.0002759800000000, 0.0003908100000000 ] - [ 0.0003890900000000, -0.0002669200000000, -0.0001651200000000 ] - [ 0.0000265600000000, -0.0001020600000000, 0.0002780900000000 ] - [ 0.0001227800000000, 0.0001580900000000, 0.0001265400000000 ] - [ 0.0001357700000000, 0.0000313600000000, 0.0001678100000000 ] - [ 0.0010429800000000, 0.0001301200000000, 0.0009107700000000 ] - [ -0.0000941000000000, 0.0003948900000000, -0.0000381200000000 ] - [ 0.0006279400000000, -0.0023440600000000, 0.0047870700000000 ] - [ 0.0003099200000000, -0.0000566100000000, -0.0002115200000000 ] - [ 0.0005083800000000, 0.0003949600000000, 0.0002705800000000 ] - [ 0.0002436200000000, 0.0003316300000000, 0.0004265600000000 ] - [ 0.0001593700000000, -0.0003858800000000, -0.0011893800000000 ] - [ 0.0004344500000000, -0.0001753200000000, 0.0000740200000000 ] - [ -0.0004091100000000, 0.0000931100000000, 0.0001293400000000 ] - [ 0.0008539000000000, -0.0001529200000000, -0.0000378900000000 ] - [ 0.0019677300000000, 0.0018061400000000, 0.0050045400000000 ] - [ 0.0002194300000000, 0.0000312100000000, 0.0003140500000000 ] - [ -0.0001120100000000, 0.0004662300000000, -0.0004271100000000 ] - [ -0.0007881200000000, 0.0004515900000000, -0.0000090800000000 ] - [ -0.0005630400000000, -0.0002144300000000, -0.0012752300000000 ] - [ -0.0004791900000000, -0.0004007000000000, -0.0007267800000000 ] - [ -0.0002624500000000, -0.0000078900000000, 0.0002898900000000 ] - [ -0.0001528000000000, -0.0001177100000000, 0.0004969100000000 ] - [ -0.0000772900000000, -0.0008739000000000, 0.0004181300000000 ] - [ 0.0004712600000000, -0.0003533100000000, 0.0002983900000000 ] - [ 0.0000439800000000, -0.0001261900000000, -0.0001638900000000 ] - [ -0.0004632700000000, -0.0002382500000000, 0.0007118500000000 ] - [ -0.0001020100000000, 0.0000220100000000, -0.0004966400000000 ] - [ -0.0003399700000000, -0.0003355100000000, -0.0006585300000000 ] - [ -0.0007058200000000, -0.0001806700000000, -0.0000403200000000 ] - [ -0.0004739600000000, -0.0002705200000000, -0.0003183400000000 ] - [ -0.0001624400000000, -0.0001423500000000, 0.0000622300000000 ] - [ -0.0014572900000000, -0.0006385700000000, 0.0027694200000000 ] - [ -0.0003332700000000, -0.0001119300000000, 0.0000159900000000 ] - [ -0.0003323900000000, 0.0000817700000000, -0.0000466700000000 ] - [ 0.0000198200000000, 0.0001740600000000, 0.0000606900000000 ] - [ -0.0012657600000000, 0.0005419400000000, 0.0024658700000000 ] - [ -0.0004019100000000, -0.0000327400000000, -0.0004117700000000 ] - [ 0.0000667900000000, 0.0000519700000000, -0.0012911100000000 ] - [ -0.0000319900000000, 0.0003665700000000, -0.0000745600000000 ] - [ -0.0016758500000000, 0.0024835300000000, -0.0014574900000000 ] - [ -0.0002202600000000, 0.0001468600000000, -0.0002097500000000 ] - [ -0.0004614100000000, -0.0007634400000000, -0.0023004500000000 ] - [ -0.0000491200000000, -0.0001348500000000, -0.0000093800000000 ] - [ 0.0001106300000000, -0.0002806600000000, -0.0004440100000000 ] - [ -0.0000554500000000, -0.0003663000000000, 0.0000795900000000 ] - [ 0.0000280300000000, -0.0000937000000000, 0.0001238300000000 ] - [ -0.0178094500000000, 0.0376766400000000, 0.0814422800000000 ] - [ 0.0003122200000000, -0.0004720500000000, -0.0001033700000000 ] - [ 0.0016728300000000, 0.0022001500000000, -0.0026710800000000 ] - [ -0.0000209700000000, 0.0005341600000000, -0.0002490400000000 ] - [ 0.0005064900000000, -0.0007938600000000, 0.0008785200000000 ] - [ 0.0002567500000000, -0.0007335800000000, 0.0002541600000000 ] - [ 0.0008490400000000, 0.0000387500000000, -0.0019062800000000 ] - [ 0.0001008300000000, 0.0006744200000000, 0.0000676200000000 ] - [ 0.0001992500000000, -0.0004122100000000, -0.0004990500000000 ] - [ -0.0046518400000000, 0.0011032700000000, -0.0001433400000000 ] - [ -0.0009747400000000, 0.0014696200000000, -0.0000225800000000 ] - [ 0.0011117300000000, 0.0010237800000000, -0.0007383100000000 ] - [ -0.0001778700000000, -0.0004923200000000, 0.0001000200000000 ] - [ -0.0007308500000000, -0.0006092800000000, 0.0004625300000000 ] - [ -0.0003764800000000, 0.0004878600000000, 0.0001490500000000 ] - [ 0.0004605800000000, -0.0001426100000000, -0.0017448000000000 ] - [ 0.0211045900000000, -0.0599675400000000, -0.1205146100000000 ] - [ -0.0000126300000000, 0.0003041200000000, -0.0003076300000000 ] - [ 0.0000273900000000, -0.0004427400000000, -0.0010153300000000 ] - [ -0.0003195200000000, 0.0002185500000000, -0.0003415500000000 ] - [ -0.0061552500000000, 0.0020979600000000, 0.0225920100000000 ] - [ -0.0001608700000000, -0.0000288900000000, 0.0003359200000000 ] - [ -0.0007191700000000, -0.0004298400000000, 0.0020349600000000 ] - [ 0.0002145400000000, -0.0003351100000000, -0.0001367200000000 ] - [ -0.0038119100000000, 0.0115047700000000, -0.0008275800000000 ] - [ 0.0004853400000000, -0.0001573000000000, -0.0000128400000000 ] - [ -0.0006149900000000, 0.0001072900000000, 0.0004075400000000 ] - [ -0.0001242300000000, -0.0001979300000000, -0.0002710200000000 ] - [ -0.0009817300000000, -0.0024597700000000, 0.0014044800000000 ] - [ -0.0001671400000000, -0.0000318400000000, 0.0003343200000000 ] - [ -0.0005178300000000, 0.0008434700000000, 0.0003760900000000 ] - [ -0.0001680400000000, 0.0002268800000000, 0.0003534700000000 ] - [ -0.0001410700000000, -0.0014816000000000, 0.0045609800000000 ] - [ 0.0007074800000000, 0.0001951400000000, 0.0002075000000000 ] - [ 0.0003299300000000, 0.0003456800000000, -0.0015924200000000 ] - [ 0.0003262200000000, 0.0000652400000000, 0.0001552500000000 ] - [ -0.0010538900000000, -0.0004640900000000, 0.0014428100000000 ] - [ 0.0000244200000000, 0.0000642200000000, -0.0001663400000000 ] - [ 0.0007599600000000, 0.0022827900000000, 0.0025939900000000 ] - [ -0.0002158500000000, -0.0002405100000000, 0.0005989200000000 ] - [ 0.0004676200000000, 0.0003623700000000, 0.0010487400000000 ] - [ 0.0005208000000000, 0.0000407000000000, 0.0003988600000000 ] - [ 0.0000807100000000, -0.0001228500000000, -0.0005560000000000 ] - [ -0.0010070900000000, -0.0005785200000000, 0.0002528600000000 ] - [ 0.0000369700000000, 0.0002314700000000, -0.0010094600000000 ] - [ -0.0001746500000000, -0.0001211300000000, -0.0002555500000000 ] - [ -0.0013351300000000, 0.0000535700000000, 0.0000286300000000 ] - [ 0.0010710100000000, 0.0003171300000000, -0.0001857400000000 ] - [ -0.0003555000000000, -0.0000116900000000, -0.0005151500000000 ] - [ 0.0007933800000000, -0.0005723200000000, -0.0028020700000000 ] - [ 0.0001057900000000, -0.0002721400000000, 0.0008096100000000 ] - [ 0.0016697200000000, -0.0005017800000000, 0.0008591400000000 ] - [ 0.0014393300000000, -0.0003404000000000, -0.0004553100000000 ] - [ -0.0009770800000000, 0.0000449200000000, -0.0000099600000000 ] - [ -0.0006017400000000, -0.0002292800000000, -0.0000392600000000 ] - [ -0.0001300300000000, 0.0000267600000000, -0.0010127900000000 ] - [ 0.0006102900000000, -0.0004733700000000, -0.0003144000000000 ] - [ -0.0000348000000000, -0.0002097100000000, 0.0005641200000000 ] - [ 0.0001573300000000, 0.0000715700000000, -0.0003498700000000 ] - [ 0.0005066200000000, 0.0003276500000000, -0.0009538200000000 ] - [ 0.0000535900000000, 0.0001916000000000, 0.0003356600000000 ] - [ 0.0078063500000000, 0.0061695200000000, 0.0030520500000000 ] - [ -0.0003209800000000, 0.0002193800000000, -0.0000746100000000 ] - [ -0.0009293400000000, 0.0005402000000000, 0.0004538000000000 ] - [ -0.0000455200000000, 0.0003543900000000, 0.0003369300000000 ] - [ 0.0003047100000000, 0.0009183700000000, 0.0003253200000000 ] - [ 0.0003792000000000, 0.0000355900000000, -0.0002454900000000 ] - [ -0.0001264400000000, -0.0006222200000000, 0.0013872500000000 ] - [ 0.0007319400000000, -0.0003590200000000, 0.0004144600000000 ] - [ -0.0013511800000000, -0.0010583400000000, 0.0020159300000000 ] - [ 0.0000824300000000, -0.0002983500000000, 0.0001962900000000 ] - [ -0.0023042700000000, 0.0021220500000000, 0.0004479900000000 ]- atom: 81 displacement: [ 0.0030577532044204, 0.0000000000000000, -0.0095210369887348 ] forces: - [ 0.0004199000000000, 0.0003255600000000, -0.0012384900000000 ] - [ 0.0000150100000000, 0.0003626300000000, -0.0000349200000000 ] - [ 0.0000121900000000, 0.0014352100000000, 0.0004203300000000 ] - [ 0.0000197800000000, 0.0001631500000000, -0.0000061200000000 ] - [ 0.0000773900000000, -0.0004001000000000, 0.0005131100000000 ] - [ 0.0002081800000000, -0.0001369900000000, 0.0000987600000000 ] - [ -0.0008678700000000, -0.0010238900000000, 0.0026560600000000 ] - [ 0.0001404800000000, -0.0003745100000000, 0.0000210700000000 ] - [ -0.0023016400000000, -0.0040744300000000, 0.0005330900000000 ] - [ 0.0001618100000000, -0.0000662400000000, 0.0001705100000000 ] - [ 0.0005310400000000, 0.0004407400000000, -0.0026156500000000 ] - [ 0.0000512000000000, -0.0001462900000000, -0.0000095800000000 ] - [ -0.0015163900000000, 0.0008478500000000, 0.0013865900000000 ] - [ 0.0004240600000000, 0.0000369100000000, -0.0001873700000000 ] - [ 0.0002237400000000, 0.0013190200000000, -0.0005411700000000 ] - [ 0.0001669200000000, 0.0001492900000000, 0.0000623200000000 ] - [ 0.0001842400000000, 0.0008070900000000, -0.0003005700000000 ] - [ 0.0005726100000000, 0.0002752800000000, 0.0000947300000000 ] - [ -0.0001324600000000, 0.0002174400000000, 0.0008007600000000 ] - [ 0.0002311800000000, 0.0000534600000000, 0.0003549000000000 ] - [ 0.0001500800000000, -0.0000781800000000, 0.0002840700000000 ] - [ 0.0001359400000000, 0.0000487500000000, 0.0002445200000000 ] - [ -0.0016875300000000, 0.0005594100000000, -0.0016420000000000 ] - [ -0.0005399100000000, 0.0002945200000000, -0.0006997900000000 ] - [ -0.0001853100000000, 0.0023169700000000, -0.0052204300000000 ] - [ 0.0001924100000000, -0.0000636100000000, -0.0001435600000000 ] - [ 0.0001263100000000, 0.0002946600000000, 0.0004672200000000 ] - [ 0.0003924100000000, 0.0003565300000000, 0.0003089500000000 ] - [ 0.0009773100000000, -0.0001626300000000, 0.0016812600000000 ] - [ 0.0006903000000000, -0.0003755200000000, 0.0004132300000000 ] - [ 0.0001475900000000, -0.0001430900000000, -0.0007619900000000 ] - [ -0.0011130300000000, 0.0001048400000000, -0.0006027500000000 ] - [ -0.0017061800000000, -0.0017545500000000, -0.0043479200000000 ] - [ 0.0000373100000000, 0.0000176400000000, 0.0003177400000000 ] - [ -0.0010115800000000, 0.0000852700000000, -0.0000563800000000 ] - [ -0.0003355000000000, 0.0000986800000000, -0.0004738400000000 ] - [ -0.0000667900000000, -0.0004757800000000, 0.0005400800000000 ] - [ -0.0001568700000000, -0.0002878000000000, -0.0000068500000000 ] - [ -0.0002414700000000, 0.0001281300000000, 0.0000650400000000 ] - [ -0.0003479500000000, 0.0002359200000000, -0.0001458300000000 ] - [ 0.0007119300000000, 0.0001819700000000, 0.0003135900000000 ] - [ 0.0001618800000000, -0.0003348800000000, 0.0004364600000000 ] - [ -0.0003169000000000, 0.0000463200000000, -0.0002476200000000 ] - [ 0.0001941300000000, 0.0001613700000000, -0.0011277600000000 ] - [ -0.0001542500000000, 0.0000265600000000, -0.0001353800000000 ] - [ 0.0000827000000000, 0.0003853100000000, 0.0000286500000000 ] - [ -0.0004188600000000, -0.0003703700000000, -0.0004473300000000 ] - [ -0.0006525500000000, -0.0002800200000000, -0.0001684400000000 ] - [ -0.0001691000000000, -0.0001475600000000, -0.0002080200000000 ] - [ 0.0012097900000000, 0.0004092500000000, -0.0029452300000000 ] - [ -0.0001682700000000, -0.0000077400000000, 0.0003389400000000 ] - [ -0.0001724700000000, -0.0002007200000000, 0.0004039000000000 ] - [ -0.0000080500000000, 0.0000994200000000, -0.0000221900000000 ] - [ 0.0012326500000000, -0.0002289700000000, -0.0024312600000000 ] - [ 0.0001306200000000, 0.0001122600000000, -0.0000018700000000 ] - [ -0.0003470300000000, 0.0000272900000000, 0.0008785300000000 ] - [ -0.0000520800000000, 0.0003358000000000, 0.0001105300000000 ] - [ 0.0015795200000000, -0.0017711500000000, 0.0014955100000000 ] - [ -0.0001097900000000, 0.0001433300000000, 0.0000635500000000 ] - [ 0.0001255100000000, 0.0010503200000000, 0.0021587200000000 ] - [ 0.0000612600000000, -0.0001386400000000, 0.0000471900000000 ] - [ -0.0000995000000000, 0.0000070300000000, 0.0004838800000000 ] - [ -0.0000296400000000, -0.0003357000000000, -0.0000438500000000 ] - [ -0.0001127600000000, -0.0006088900000000, -0.0000900900000000 ] - [ 0.0177604400000000, -0.0353345700000000, -0.0776556800000000 ] - [ 0.0001475100000000, -0.0005446300000000, -0.0001905900000000 ] - [ -0.0012209900000000, -0.0012084400000000, 0.0023797100000000 ] - [ 0.0004792700000000, 0.0004832000000000, -0.0000453100000000 ] - [ -0.0001019200000000, -0.0005221700000000, -0.0005540800000000 ] - [ 0.0001493600000000, -0.0005786000000000, 0.0000707600000000 ] - [ -0.0004412800000000, 0.0012801000000000, 0.0022335300000000 ] - [ 0.0003047600000000, 0.0006379200000000, 0.0002590000000000 ] - [ -0.0006045900000000, -0.0008995000000000, 0.0001769200000000 ] - [ 0.0042633500000000, -0.0024241800000000, -0.0001678400000000 ] - [ 0.0005679200000000, -0.0001541000000000, -0.0003056300000000 ] - [ -0.0015275500000000, 0.0002837700000000, 0.0004074400000000 ] - [ -0.0002801900000000, -0.0005235400000000, 0.0001945400000000 ] - [ 0.0002727500000000, -0.0004134500000000, -0.0001691800000000 ] - [ -0.0000823200000000, 0.0005291500000000, 0.0001435300000000 ] - [ -0.0009226700000000, 0.0011688600000000, 0.0020407700000000 ] - [ -0.0205355700000000, 0.0571085100000000, 0.1161441900000000 ] - [ 0.0001142500000000, 0.0003695000000000, -0.0001849700000000 ] - [ -0.0005659800000000, 0.0008709200000000, 0.0003709300000000 ] - [ -0.0002213800000000, 0.0002016700000000, -0.0002992700000000 ] - [ 0.0056540300000000, -0.0020198500000000, -0.0216699800000000 ] - [ -0.0002708800000000, 0.0000761700000000, 0.0003158000000000 ] - [ 0.0008234200000000, -0.0002324800000000, -0.0025337900000000 ] - [ -0.0001136000000000, -0.0003388800000000, -0.0003555300000000 ] - [ 0.0048549400000000, -0.0118435900000000, 0.0008970600000000 ] - [ 0.0005261400000000, -0.0001793000000000, 0.0001495500000000 ] - [ 0.0000734700000000, -0.0005315300000000, -0.0010487000000000 ] - [ -0.0004163500000000, -0.0002220500000000, -0.0003698400000000 ] - [ 0.0005479100000000, 0.0024229600000000, -0.0007439900000000 ] - [ -0.0002631200000000, -0.0000150000000000, 0.0003172600000000 ] - [ 0.0000702900000000, -0.0004963700000000, 0.0005436000000000 ] - [ -0.0002827900000000, 0.0001215300000000, 0.0005708200000000 ] - [ 0.0011455600000000, 0.0018426500000000, -0.0044439300000000 ] - [ 0.0003050800000000, 0.0001413800000000, -0.0000716600000000 ] - [ 0.0005935200000000, -0.0003258700000000, 0.0021702800000000 ] - [ 0.0005922100000000, -0.0000496700000000, 0.0004292000000000 ] - [ 0.0008327500000000, 0.0007299700000000, -0.0018711000000000 ] - [ -0.0002417100000000, 0.0002097500000000, -0.0002588600000000 ] - [ -0.0012327700000000, -0.0026432600000000, -0.0016619300000000 ] - [ -0.0002334600000000, -0.0001072200000000, 0.0003244500000000 ] - [ 0.0004485300000000, -0.0003807400000000, -0.0004670900000000 ] - [ 0.0003982500000000, -0.0000556500000000, 0.0001834300000000 ] - [ 0.0001374900000000, 0.0003952100000000, 0.0009824100000000 ] - [ 0.0012259500000000, 0.0008546000000000, 0.0001760100000000 ] - [ -0.0002544200000000, -0.0005044800000000, 0.0005897000000000 ] - [ -0.0000413600000000, -0.0001520500000000, -0.0001677200000000 ] - [ 0.0004143000000000, -0.0000381000000000, -0.0006162100000000 ] - [ -0.0019965200000000, -0.0003050700000000, -0.0004008700000000 ] - [ 0.0008077200000000, 0.0003605300000000, -0.0004128500000000 ] - [ -0.0003607800000000, 0.0009172700000000, 0.0018763700000000 ] - [ 0.0001075400000000, -0.0000004500000000, -0.0003880800000000 ] - [ -0.0014492400000000, 0.0002335900000000, -0.0004442400000000 ] - [ -0.0023558300000000, 0.0003205200000000, -0.0001196700000000 ] - [ 0.0000629700000000, -0.0000595500000000, -0.0005704000000000 ] - [ -0.0004122000000000, -0.0001088600000000, -0.0000985300000000 ] - [ -0.0008831100000000, -0.0003550100000000, 0.0008643700000000 ] - [ -0.0001625000000000, 0.0001243800000000, -0.0006068800000000 ] - [ 0.0004901900000000, -0.0001352900000000, -0.0014891500000000 ] - [ 0.0002738600000000, -0.0000243700000000, -0.0003022000000000 ] - [ -0.0000778800000000, -0.0002796900000000, 0.0003061800000000 ] - [ 0.0004864500000000, 0.0002286700000000, 0.0003042200000000 ] - [ -0.0072671700000000, -0.0057465600000000, -0.0024645900000000 ] - [ -0.0006911300000000, 0.0001168100000000, -0.0000608700000000 ] - [ -0.0000802800000000, -0.0002071700000000, -0.0005900600000000 ] - [ -0.0000565400000000, 0.0003182700000000, 0.0001561300000000 ] - [ -0.0004061900000000, -0.0002455500000000, 0.0001635300000000 ] - [ 0.0000504000000000, -0.0000827100000000, -0.0004049100000000 ] - [ 0.0005642600000000, 0.0005672600000000, -0.0020406100000000 ] - [ -0.0001899200000000, -0.0000612000000000, 0.0002273300000000 ] - [ 0.0019044500000000, 0.0006508200000000, -0.0013732100000000 ] - [ -0.0001828500000000, -0.0003742700000000, 0.0002973500000000 ] - [ 0.0022180600000000, -0.0028138800000000, 0.0000641000000000 ]- atom: 83 displacement: [ 0.0099997439015081, 0.0000000000000000, 0.0000715674804079 ] forces: - [ 0.0025488100000000, 0.0007385300000000, 0.0004285200000000 ] - [ -0.0005382400000000, 0.0003524600000000, -0.0001191800000000 ] - [ 0.0023696000000000, 0.0001018600000000, 0.0005776400000000 ] - [ -0.0005892800000000, 0.0001363500000000, -0.0001757600000000 ] - [ 0.0046052600000000, 0.0004595600000000, 0.0006806900000000 ] - [ -0.0006488300000000, -0.0001506800000000, -0.0001867000000000 ] - [ 0.0009259900000000, -0.0001436000000000, 0.0006256300000000 ] - [ -0.0005131600000000, -0.0004020800000000, -0.0002333300000000 ] - [ 0.0046860100000000, 0.0020520400000000, 0.0025035700000000 ] - [ -0.0006437000000000, -0.0002585400000000, 0.0000835300000000 ] - [ 0.0009220800000000, -0.0004309900000000, 0.0005365800000000 ] - [ -0.0005724800000000, -0.0000665400000000, -0.0002829000000000 ] - [ 0.0006416700000000, -0.0000210800000000, 0.0001476800000000 ] - [ -0.0003124200000000, 0.0000560400000000, -0.0003549100000000 ] - [ 0.0046147900000000, -0.0005633600000000, 0.0002701500000000 ] - [ -0.0006477600000000, 0.0001486300000000, -0.0001787800000000 ] - [ 0.0004231300000000, -0.0014574000000000, -0.0000829200000000 ] - [ -0.0001348600000000, 0.0005210200000000, 0.0002149800000000 ] - [ 0.0005061000000000, -0.0009509100000000, 0.0015892600000000 ] - [ -0.0005758400000000, 0.0003348500000000, -0.0000324800000000 ] - [ 0.0014054800000000, -0.0001284200000000, 0.0005065100000000 ] - [ -0.0004035900000000, 0.0002137000000000, -0.0000731800000000 ] - [ -0.0002010000000000, 0.0003557600000000, -0.0003578100000000 ] - [ -0.0008162300000000, 0.0003333700000000, -0.0003326200000000 ] - [ 0.0008689800000000, -0.0000352800000000, -0.0001594400000000 ] - [ -0.0002104400000000, -0.0000669700000000, -0.0003090900000000 ] - [ -0.0014019700000000, 0.0005912100000000, 0.0018478200000000 ] - [ -0.0014672700000000, 0.0005928500000000, -0.0001713100000000 ] - [ 0.0007317600000000, 0.0000585500000000, 0.0003485300000000 ] - [ 0.0001385800000000, -0.0004756200000000, -0.0002231800000000 ] - [ -0.0008181400000000, 0.0008794300000000, -0.0008342000000000 ] - [ -0.0005580400000000, -0.0005311200000000, 0.0001424500000000 ] - [ 0.0015445400000000, 0.0018996000000000, -0.0008888400000000 ] - [ -0.0003669700000000, -0.0001533200000000, 0.0002275500000000 ] - [ -0.0013886700000000, 0.0009763600000000, 0.0002835300000000 ] - [ -0.0014730900000000, -0.0010251200000000, -0.0006780500000000 ] - [ -0.0001280500000000, -0.0004093900000000, -0.0002732100000000 ] - [ -0.0006573000000000, -0.0002494400000000, -0.0006561200000000 ] - [ -0.0019613800000000, -0.0002128700000000, -0.0003320100000000 ] - [ -0.0019989900000000, -0.0003114000000000, 0.0017582100000000 ] - [ 0.0004110800000000, -0.0001416300000000, -0.0014199800000000 ] - [ -0.0001790300000000, -0.0004240000000000, 0.0002571400000000 ] - [ -0.0008360000000000, -0.0003284400000000, -0.0002955100000000 ] - [ -0.0003812800000000, 0.0012868700000000, -0.0003159700000000 ] - [ -0.0005380800000000, -0.0001419700000000, -0.0002575200000000 ] - [ -0.0003167700000000, 0.0009231600000000, -0.0009568700000000 ] - [ -0.0009654400000000, -0.0009082100000000, -0.0009287100000000 ] - [ -0.0009587300000000, -0.0001296600000000, -0.0003092100000000 ] - [ -0.0006894000000000, -0.0001085800000000, -0.0002468500000000 ] - [ 0.0003995900000000, -0.0001164500000000, 0.0003157900000000 ] - [ -0.0007331000000000, -0.0000007400000000, 0.0000604900000000 ] - [ -0.0001763100000000, -0.0002465900000000, -0.0017107400000000 ] - [ -0.0007894200000000, 0.0003524600000000, -0.0001142800000000 ] - [ 0.0006753800000000, -0.0040457000000000, 0.0019471100000000 ] - [ -0.0004121300000000, 0.0001134000000000, -0.0004827400000000 ] - [ 0.0000630300000000, -0.0002361800000000, -0.0002932600000000 ] - [ -0.0005941800000000, 0.0004498600000000, -0.0000376300000000 ] - [ 0.0015945000000000, -0.0021083900000000, -0.0012615400000000 ] - [ -0.0006201300000000, 0.0001280000000000, -0.0002252300000000 ] - [ 0.0005332400000000, 0.0002497000000000, 0.0000497400000000 ] - [ -0.0005497100000000, -0.0002527400000000, -0.0002581300000000 ] - [ 0.0010965100000000, 0.0001569100000000, 0.0001195900000000 ] - [ -0.0007004500000000, -0.0005727000000000, -0.0002709600000000 ] - [ 0.0002821000000000, 0.0004877500000000, 0.0011719200000000 ] - [ 0.0021390800000000, -0.0004051000000000, -0.0000815800000000 ] - [ -0.0008199300000000, -0.0005070600000000, -0.0003703800000000 ] - [ 0.0011846900000000, 0.0005039700000000, 0.0005949300000000 ] - [ -0.0007239800000000, 0.0005223300000000, -0.0006172800000000 ] - [ 0.0599200200000000, 0.0124572500000000, 0.0137047500000000 ] - [ -0.0014774100000000, -0.0005690500000000, 0.0000081400000000 ] - [ 0.0019918900000000, 0.0002336400000000, 0.0016579900000000 ] - [ -0.0012292900000000, 0.0005642200000000, -0.0009019300000000 ] - [ -0.0011140500000000, -0.0004551400000000, -0.0001038900000000 ] - [ 0.0008304400000000, -0.0011361200000000, -0.0001850700000000 ] - [ -0.0008939400000000, 0.0003080200000000, -0.0007343800000000 ] - [ 0.0003706500000000, 0.0013038800000000, 0.0002419800000000 ] - [ -0.0019594500000000, -0.0006136300000000, -0.0000123200000000 ] - [ 0.0557235500000000, -0.0137021400000000, 0.0102605500000000 ] - [ -0.0016866000000000, 0.0005359400000000, -0.0008660300000000 ] - [ 0.0015034900000000, 0.0008923400000000, 0.0014771600000000 ] - [ -0.0023735200000000, 0.0005161600000000, -0.0007181400000000 ] - [ 0.0009205600000000, 0.0003322400000000, -0.0000191500000000 ] - [ -0.1824905800000000, 0.0043397000000000, -0.0406893800000000 ] - [ 0.0016076600000000, 0.0001875400000000, 0.0001309500000000 ] - [ -0.0026535400000000, -0.0009483500000000, -0.0003517700000000 ] - [ 0.0006561000000000, 0.0000992500000000, 0.0004715800000000 ] - [ -0.0014026900000000, -0.0000421500000000, -0.0010695700000000 ] - [ 0.0009023500000000, -0.0004269700000000, 0.0001808800000000 ] - [ -0.0011453300000000, 0.0005166500000000, -0.0001956600000000 ] - [ 0.0014299600000000, -0.0003849400000000, 0.0002777300000000 ] - [ -0.0022921300000000, -0.0002864800000000, -0.0022995400000000 ] - [ 0.0014700400000000, -0.0001798700000000, 0.0004777400000000 ] - [ -0.0015403000000000, -0.0001984500000000, -0.0003123600000000 ] - [ 0.0005788400000000, -0.0000360400000000, 0.0006398900000000 ] - [ 0.0107751800000000, 0.0139497800000000, -0.0054089700000000 ] - [ 0.0013753300000000, -0.0001497400000000, 0.0003989200000000 ] - [ -0.0003101100000000, -0.0000760500000000, -0.0004031900000000 ] - [ 0.0013389600000000, 0.0003547400000000, 0.0004696900000000 ] - [ 0.0169665200000000, -0.0056312700000000, 0.0081351200000000 ] - [ 0.0021902000000000, -0.0000165500000000, 0.0002594800000000 ] - [ -0.0003750500000000, -0.0002323200000000, -0.0023466000000000 ] - [ 0.0012846500000000, 0.0003546400000000, 0.0007774100000000 ] - [ -0.0019715400000000, -0.0001922400000000, 0.0002175300000000 ] - [ 0.0005870300000000, -0.0000196600000000, 0.0009982500000000 ] - [ 0.0000098600000000, -0.0001620900000000, -0.0004899600000000 ] - [ 0.0017427000000000, 0.0000289800000000, 0.0013947800000000 ] - [ 0.0009421400000000, 0.0007290300000000, 0.0007762600000000 ] - [ 0.0004320300000000, -0.0006178500000000, -0.0003192200000000 ] - [ -0.0006831100000000, 0.0063556600000000, 0.0070158700000000 ] - [ 0.0008810500000000, -0.0003040400000000, -0.0001576800000000 ] - [ -0.0000271700000000, 0.0005046700000000, -0.0004562200000000 ] - [ 0.0000390600000000, -0.0005329500000000, 0.0001458100000000 ] - [ 0.0010272700000000, -0.0004730600000000, -0.0006239500000000 ] - [ 0.0003269900000000, 0.0014591400000000, -0.0006427700000000 ] - [ 0.0006277100000000, -0.0003036200000000, 0.0000281200000000 ] - [ -0.0001539500000000, 0.0007285200000000, 0.0006816000000000 ] - [ -0.0004568800000000, -0.0003731500000000, 0.0001083100000000 ] - [ -0.0002028600000000, -0.0000648500000000, -0.0003608700000000 ] - [ 0.0012390300000000, -0.0000945400000000, -0.0001036200000000 ] - [ 0.0180396100000000, 0.0042648400000000, 0.0074458900000000 ] - [ 0.0006290800000000, 0.0002361000000000, -0.0000203200000000 ] - [ -0.0000558900000000, -0.0007356200000000, -0.0002150400000000 ] - [ 0.0017354100000000, 0.0003478400000000, -0.0002781600000000 ] - [ 0.0101807700000000, -0.0126672900000000, -0.0071833200000000 ] - [ 0.0014638600000000, 0.0002353200000000, 0.0005622000000000 ] - [ -0.0016251800000000, -0.0002927100000000, 0.0000279600000000 ] - [ 0.0007782000000000, 0.0001212500000000, 0.0009275600000000 ] - [ -0.0009263800000000, 0.0003534100000000, -0.0006706700000000 ] - [ 0.0009513900000000, 0.0004719100000000, 0.0003416900000000 ] - [ -0.0005908000000000, -0.0072856400000000, 0.0080169700000000 ] - [ 0.0010528600000000, -0.0001697800000000, 0.0001903900000000 ] - [ -0.0015456900000000, 0.0000647600000000, -0.0004133300000000 ] - [ 0.0013417300000000, -0.0002099300000000, 0.0008011700000000 ] - [ -0.0008130500000000, -0.0001944200000000, -0.0001753700000000 ] - [ 0.0013111300000000, -0.0005002100000000, 0.0011674800000000 ] - [ -0.0004789900000000, 0.0001730700000000, -0.0015885200000000 ]- atom: 83 displacement: [ -0.0099997439015081, 0.0000000000000000, -0.0000715674804079 ] forces: - [ -0.0024610500000000, -0.0000489300000000, -0.0004678400000000 ] - [ 0.0006231900000000, 0.0003501200000000, 0.0000834800000000 ] - [ -0.0023863000000000, 0.0001608500000000, -0.0006138300000000 ] - [ 0.0005772800000000, 0.0001374400000000, 0.0001376100000000 ] - [ -0.0042737900000000, -0.0007435700000000, -0.0005267500000000 ] - [ 0.0009788800000000, -0.0001391800000000, 0.0003322800000000 ] - [ -0.0008424100000000, -0.0005560400000000, -0.0006611700000000 ] - [ 0.0005977700000000, -0.0003009500000000, 0.0001972600000000 ] - [ -0.0044845200000000, -0.0020628700000000, -0.0020718300000000 ] - [ 0.0009147800000000, 0.0001782900000000, 0.0003287000000000 ] - [ -0.0009334200000000, 0.0001603000000000, -0.0005760900000000 ] - [ 0.0005610800000000, -0.0002076500000000, 0.0002451200000000 ] - [ -0.0001403600000000, 0.0001420800000000, -0.0005035900000000 ] - [ 0.0008157900000000, 0.0000638100000000, -0.0000000900000000 ] - [ -0.0042878300000000, 0.0008585900000000, -0.0001384000000000 ] - [ 0.0009791900000000, 0.0001416200000000, 0.0003247900000000 ] - [ 0.0006994800000000, 0.0020049900000000, 0.0005693500000000 ] - [ 0.0012608500000000, 0.0000306000000000, 0.0002717500000000 ] - [ -0.0002514500000000, 0.0009003400000000, -0.0009575200000000 ] - [ 0.0008338500000000, -0.0003829600000000, 0.0006645800000000 ] - [ -0.0011327400000000, 0.0002048000000000, -0.0000981000000000 ] - [ 0.0006762000000000, -0.0001334600000000, 0.0004853300000000 ] - [ -0.0004355900000000, 0.0003315500000000, -0.0003778400000000 ] - [ 0.0001820000000000, 0.0003547700000000, -0.0004022400000000 ] - [ -0.0003677600000000, -0.0000849600000000, -0.0001964200000000 ] - [ 0.0007139400000000, -0.0000534500000000, -0.0000455600000000 ] - [ 0.0020394800000000, 0.0000978100000000, -0.0011189300000000 ] - [ 0.0021014000000000, 0.0000973800000000, 0.0009061700000000 ] - [ 0.0003920800000000, -0.0006084100000000, 0.0001366700000000 ] - [ 0.0009876400000000, -0.0000764700000000, 0.0007080800000000 ] - [ 0.0005606000000000, -0.0009318500000000, 0.0002023000000000 ] - [ 0.0003015000000000, 0.0004815700000000, -0.0007728900000000 ] - [ -0.0013016900000000, -0.0018482400000000, 0.0015162700000000 ] - [ 0.0006247700000000, 0.0002021900000000, 0.0004054700000000 ] - [ 0.0002626400000000, -0.0004269500000000, -0.0007734500000000 ] - [ 0.0003489300000000, 0.0015718600000000, 0.0001915800000000 ] - [ -0.0005078100000000, -0.0002788800000000, -0.0004630600000000 ] - [ 0.0000236400000000, -0.0004397500000000, -0.0000791200000000 ] - [ 0.0014588900000000, 0.0003347900000000, 0.0006871400000000 ] - [ 0.0014931500000000, 0.0004321000000000, -0.0013967600000000 ] - [ 0.0002174200000000, -0.0005445300000000, 0.0021558400000000 ] - [ 0.0008150000000000, -0.0002646000000000, 0.0004787900000000 ] - [ 0.0005639500000000, 0.0002493300000000, -0.0001164700000000 ] - [ 0.0001114900000000, -0.0013688200000000, -0.0000965100000000 ] - [ 0.0002807900000000, 0.0001911800000000, -0.0003766500000000 ] - [ 0.0000609900000000, -0.0008743700000000, 0.0003239500000000 ] - [ -0.0001626100000000, 0.0003566700000000, 0.0004417500000000 ] - [ -0.0001660600000000, -0.0004207000000000, -0.0001761100000000 ] - [ 0.0003585700000000, -0.0001821300000000, 0.0001009800000000 ] - [ -0.0007289300000000, -0.0001731400000000, -0.0004615200000000 ] - [ 0.0002289100000000, -0.0001193700000000, 0.0002933400000000 ] - [ -0.0003208500000000, 0.0001282900000000, 0.0020633600000000 ] - [ 0.0008026400000000, -0.0000797800000000, 0.0001518300000000 ] - [ -0.0006339300000000, 0.0043178500000000, -0.0019047700000000 ] - [ 0.0001389700000000, -0.0000342500000000, 0.0000711400000000 ] - [ -0.0003336700000000, 0.0003169100000000, -0.0001185500000000 ] - [ 0.0005091100000000, 0.0002520600000000, 0.0000728600000000 ] - [ -0.0016628700000000, 0.0028143400000000, 0.0013013700000000 ] - [ 0.0002889600000000, 0.0001620100000000, 0.0000787900000000 ] - [ -0.0008634300000000, 0.0000403100000000, -0.0001955800000000 ] - [ 0.0005607800000000, -0.0000206400000000, 0.0002954500000000 ] - [ -0.0010848000000000, -0.0004338900000000, -0.0000782500000000 ] - [ 0.0006149500000000, -0.0001285800000000, 0.0003071800000000 ] - [ -0.0003655300000000, -0.0011914100000000, -0.0011359500000000 ] - [ -0.0016797300000000, -0.0006061600000000, -0.0002090600000000 ] - [ 0.0012791700000000, -0.0005103200000000, 0.0000763000000000 ] - [ -0.0007254900000000, 0.0005125100000000, -0.0008895000000000 ] - [ 0.0011827700000000, 0.0004946600000000, 0.0003224600000000 ] - [ -0.0634714000000000, -0.0156878300000000, -0.0151005400000000 ] - [ 0.0018827000000000, -0.0007425200000000, 0.0003181900000000 ] - [ -0.0015947600000000, 0.0010785000000000, -0.0013365700000000 ] - [ 0.0016358700000000, 0.0007491300000000, 0.0012251400000000 ] - [ 0.0007082400000000, -0.0008574600000000, -0.0002233500000000 ] - [ -0.0012335200000000, -0.0001781700000000, -0.0001409300000000 ] - [ 0.0004870900000000, 0.0010027000000000, 0.0004086500000000 ] - [ -0.0007754100000000, 0.0000078700000000, -0.0005662300000000 ] - [ 0.0015018900000000, -0.0004021000000000, 0.0003056000000000 ] - [ -0.0524882200000000, 0.0107553500000000, -0.0086478300000000 ] - [ 0.0012269900000000, 0.0004827000000000, 0.0011617100000000 ] - [ -0.0019550400000000, 0.0001236800000000, -0.0011796500000000 ] - [ 0.0024734800000000, 0.0001460600000000, 0.0002264900000000 ] - [ -0.0008198300000000, 0.0003416800000000, -0.0004739600000000 ] - [ 0.1822599700000000, 0.0000222300000000, 0.0404656800000000 ] - [ -0.0021485900000000, 0.0002332500000000, -0.0007720700000000 ] - [ 0.0022262700000000, 0.0009920000000000, 0.0010018700000000 ] - [ -0.0010868500000000, -0.0000515800000000, 0.0001799400000000 ] - [ 0.0015056900000000, -0.0006301600000000, 0.0005771500000000 ] - [ -0.0008011600000000, -0.0002469200000000, -0.0006729400000000 ] - [ 0.0021605100000000, -0.0008551500000000, 0.0003314700000000 ] - [ -0.0004188000000000, 0.0000486900000000, -0.0001418700000000 ] - [ 0.0017526400000000, -0.0001360400000000, 0.0016582500000000 ] - [ -0.0020111100000000, -0.0002418400000000, -0.0011188800000000 ] - [ 0.0011081200000000, 0.0001519300000000, 0.0009638800000000 ] - [ -0.0010102400000000, -0.0000109100000000, 0.0000116500000000 ] - [ -0.0112904800000000, -0.0137426300000000, 0.0063825300000000 ] - [ -0.0018238300000000, 0.0004958300000000, 0.0005236300000000 ] - [ 0.0013235600000000, 0.0004118600000000, 0.0005401000000000 ] - [ -0.0003279400000000, -0.0000182100000000, -0.0003337600000000 ] - [ -0.0162469500000000, 0.0057290900000000, -0.0076670000000000 ] - [ -0.0012707100000000, 0.0000319300000000, 0.0003210800000000 ] - [ 0.0001656100000000, 0.0005039800000000, 0.0019263200000000 ] - [ -0.0014994500000000, -0.0000811900000000, -0.0011985700000000 ] - [ 0.0015277200000000, -0.0001583500000000, 0.0007118200000000 ] - [ -0.0010387200000000, -0.0003279600000000, -0.0000737200000000 ] - [ 0.0009127600000000, 0.0001496900000000, 0.0010768500000000 ] - [ -0.0008266700000000, -0.0000466100000000, -0.0008103200000000 ] - [ -0.0007240500000000, -0.0004547400000000, -0.0003531600000000 ] - [ -0.0002167500000000, 0.0008910600000000, 0.0007423900000000 ] - [ 0.0005180900000000, -0.0066290800000000, -0.0074356000000000 ] - [ -0.0010983900000000, 0.0000297900000000, -0.0002678100000000 ] - [ -0.0008911900000000, -0.0004911500000000, -0.0001259900000000 ] - [ -0.0009593800000000, 0.0005486400000000, -0.0007275400000000 ] - [ -0.0005776200000000, 0.0008232400000000, -0.0002984900000000 ] - [ 0.0001201400000000, -0.0011079600000000, -0.0002833400000000 ] - [ -0.0004104600000000, 0.0000303500000000, 0.0003973500000000 ] - [ 0.0003655000000000, -0.0010007900000000, -0.0002574300000000 ] - [ -0.0004596600000000, 0.0003603900000000, -0.0006925300000000 ] - [ -0.0007170900000000, 0.0000499200000000, -0.0002238000000000 ] - [ -0.0022537600000000, -0.0002429800000000, -0.0000310400000000 ] - [ -0.0188208600000000, -0.0045398900000000, -0.0074721400000000 ] - [ -0.0001776300000000, -0.0005826400000000, -0.0009025000000000 ] - [ 0.0005052400000000, 0.0003888000000000, -0.0007111200000000 ] - [ -0.0013065500000000, -0.0003025000000000, -0.0003731600000000 ] - [ -0.0097027000000000, 0.0125945200000000, 0.0064767900000000 ] - [ -0.0009233800000000, 0.0001858300000000, 0.0000788500000000 ] - [ 0.0021624700000000, 0.0007134400000000, 0.0006117600000000 ] - [ -0.0017878700000000, 0.0002117900000000, -0.0010653300000000 ] - [ -0.0000906700000000, -0.0000142600000000, 0.0005305100000000 ] - [ -0.0010528400000000, 0.0001999100000000, 0.0001525900000000 ] - [ 0.0004356000000000, 0.0079512500000000, -0.0075261500000000 ] - [ -0.0006216800000000, 0.0001223300000000, -0.0008422600000000 ] - [ 0.0019703900000000, -0.0001148600000000, -0.0002447300000000 ] - [ -0.0008004100000000, -0.0002102100000000, -0.0001604400000000 ] - [ 0.0013523300000000, -0.0002274700000000, 0.0008155100000000 ] - [ -0.0014151400000000, -0.0001734100000000, -0.0006776800000000 ] - [ 0.0003700400000000, -0.0008485900000000, 0.0020777700000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003647000000000, -0.0028598400000000, -0.0013382200000000 ] - [ 0.0000397000000000, 0.0003315200000000, -0.0000154700000000 ] - [ -0.0004097000000000, -0.0026652500000000, 0.0009548500000000 ] - [ -0.0000002700000000, 0.0001103400000000, -0.0000219800000000 ] - [ 0.0000562900000000, 0.0028527600000000, 0.0001693000000000 ] - [ 0.0001443300000000, -0.0000887400000000, 0.0000871600000000 ] - [ 0.0001975100000000, -0.0007514700000000, -0.0008855300000000 ] - [ 0.0000224200000000, -0.0003756800000000, -0.0000235300000000 ] - [ -0.0003288300000000, 0.0018246500000000, -0.0011542700000000 ] - [ 0.0000467900000000, -0.0000046800000000, 0.0002164200000000 ] - [ -0.0001656200000000, -0.0005181100000000, 0.0005836300000000 ] - [ 0.0000206500000000, -0.0001709600000000, -0.0000069200000000 ] - [ 0.0004726300000000, -0.0006659700000000, -0.0002902200000000 ] - [ 0.0002229600000000, -0.0000400600000000, -0.0002017500000000 ] - [ 0.0001371900000000, 0.0027535700000000, -0.0001621900000000 ] - [ 0.0002148800000000, 0.0002022000000000, 0.0000642600000000 ] - [ -0.0001321000000000, -0.0009373600000000, -0.0000804600000000 ] - [ 0.0008216300000000, 0.0001683500000000, 0.0002715100000000 ] - [ -0.0000782500000000, -0.0003449600000000, 0.0009609300000000 ] - [ 0.0002945700000000, -0.0000127900000000, 0.0003418000000000 ] - [ 0.0003364600000000, 0.0002959000000000, -0.0003065800000000 ] - [ 0.0001841800000000, 0.0000561700000000, 0.0002347000000000 ] - [ -0.0001715900000000, -0.0002659800000000, -0.0002761200000000 ] - [ -0.0003739900000000, 0.0001355400000000, -0.0003222700000000 ] - [ 0.0002967000000000, -0.0007540800000000, -0.0000251600000000 ] - [ 0.0002643100000000, -0.0001161100000000, -0.0001668300000000 ] - [ 0.0002205300000000, 0.0012718300000000, 0.0003298800000000 ] - [ 0.0004926200000000, 0.0007687400000000, 0.0005139300000000 ] - [ 0.0007747700000000, -0.0004768700000000, 0.0002994000000000 ] - [ 0.0004413000000000, -0.0002838600000000, 0.0001021000000000 ] - [ 0.0002487300000000, -0.0002455500000000, -0.0000892500000000 ] - [ -0.0006022000000000, -0.0001171200000000, -0.0001143500000000 ] - [ 0.0013704800000000, -0.0013809400000000, 0.0028315000000000 ] - [ 0.0000850400000000, 0.0000376000000000, 0.0003196900000000 ] - [ 0.0001710600000000, 0.0002872400000000, -0.0004148100000000 ] - [ -0.0011598900000000, 0.0001762600000000, -0.0004879500000000 ] - [ -0.0003017600000000, -0.0005668100000000, -0.0003420300000000 ] - [ -0.0002867900000000, -0.0006009700000000, -0.0003886300000000 ] - [ -0.0002653900000000, 0.0005442400000000, 0.0000736800000000 ] - [ -0.0001215800000000, 0.0009430900000000, 0.0002240400000000 ] - [ 0.0003184100000000, 0.0005175000000000, 0.0005533600000000 ] - [ 0.0003328800000000, -0.0002182200000000, 0.0003622200000000 ] - [ -0.0004493300000000, -0.0002105400000000, -0.0002491600000000 ] - [ 0.0004702800000000, -0.0011643000000000, -0.0000100300000000 ] - [ -0.0003208200000000, -0.0000163900000000, -0.0002797400000000 ] - [ 0.0001743700000000, -0.0004400800000000, 0.0000098500000000 ] - [ -0.0009062700000000, -0.0004127100000000, -0.0005801200000000 ] - [ -0.0003451700000000, -0.0002336500000000, -0.0001852600000000 ] - [ -0.0001639900000000, -0.0002627500000000, -0.0000292800000000 ] - [ -0.0003895100000000, -0.0008887200000000, 0.0001587800000000 ] - [ -0.0002608600000000, 0.0000758200000000, 0.0001865600000000 ] - [ -0.0002617800000000, 0.0008221700000000, 0.0001270300000000 ] - [ 0.0001471200000000, 0.0001425900000000, 0.0000296900000000 ] - [ -0.0033364800000000, -0.0020002100000000, 0.0013499300000000 ] - [ -0.0000506400000000, 0.0000009100000000, -0.0001229800000000 ] - [ -0.0003037200000000, -0.0002432200000000, -0.0005285500000000 ] - [ 0.0000340300000000, 0.0003753600000000, 0.0000128700000000 ] - [ -0.0018072500000000, -0.0016385300000000, -0.0025888600000000 ] - [ -0.0001635700000000, 0.0000746500000000, -0.0000999800000000 ] - [ -0.0001896100000000, -0.0005465300000000, -0.0003113900000000 ] - [ -0.0000691000000000, -0.0001144500000000, -0.0000348200000000 ] - [ -0.0001656900000000, -0.0001618200000000, 0.0005034100000000 ] - [ -0.0001806500000000, -0.0002883100000000, -0.0000072600000000 ] - [ 0.0002127100000000, -0.0006066100000000, -0.0005772500000000 ] - [ 0.0001169700000000, -0.0035206600000000, -0.0003251700000000 ] - [ 0.0002507800000000, -0.0005945200000000, -0.0001380500000000 ] - [ 0.0001907900000000, -0.0005396500000000, -0.0001767200000000 ] - [ 0.0002031400000000, 0.0004083000000000, -0.0001509900000000 ] - [ 0.0141924400000000, 0.0322953000000000, 0.0058631000000000 ] - [ 0.0002135900000000, -0.0004830300000000, 0.0001526900000000 ] - [ 0.0003020100000000, 0.0021006400000000, -0.0000296000000000 ] - [ 0.0003134000000000, 0.0009327900000000, 0.0000907200000000 ] - [ -0.0002318800000000, -0.0011929100000000, -0.0003702300000000 ] - [ -0.0004079600000000, -0.0018959000000000, -0.0002839700000000 ] - [ -0.0000514000000000, 0.0000138500000000, -0.0002262300000000 ] - [ -0.0002719700000000, 0.0000155000000000, -0.0002181300000000 ] - [ -0.0001955200000000, -0.0003280000000000, 0.0001568200000000 ] - [ -0.0125808800000000, 0.0315145300000000, -0.0033540300000000 ] - [ -0.0002923100000000, 0.0007569000000000, 0.0002681100000000 ] - [ -0.0003492500000000, 0.0017809800000000, 0.0000721500000000 ] - [ 0.0001682200000000, 0.0036261200000000, -0.0009038800000000 ] - [ 0.0000238100000000, 0.0004057400000000, -0.0002464600000000 ] - [ 0.0018951200000000, -0.0662741800000000, -0.0014759600000000 ] - [ -0.0002932100000000, 0.0001050600000000, -0.0003281900000000 ] - [ 0.0001722000000000, 0.0031444200000000, 0.0010410200000000 ] - [ -0.0002015800000000, 0.0000913900000000, 0.0003187200000000 ] - [ 0.0000804500000000, 0.0006444500000000, -0.0005724700000000 ] - [ 0.0000399900000000, -0.0002540700000000, -0.0002627800000000 ] - [ 0.0000216900000000, 0.0022789100000000, -0.0000459900000000 ] - [ 0.0004755900000000, -0.0000484000000000, 0.0000565000000000 ] - [ -0.0001942500000000, -0.0010210300000000, -0.0004291900000000 ] - [ -0.0003014200000000, -0.0003464700000000, -0.0003341100000000 ] - [ -0.0002566900000000, 0.0010073600000000, 0.0007745600000000 ] - [ -0.0002018700000000, 0.0000529300000000, 0.0003400600000000 ] - [ 0.0122894800000000, 0.0032410400000000, -0.0028112600000000 ] - [ -0.0002835400000000, -0.0000244600000000, 0.0003764600000000 ] - [ 0.0005790500000000, 0.0010243000000000, 0.0001071700000000 ] - [ 0.0005471500000000, 0.0002814700000000, 0.0000857000000000 ] - [ -0.0070501500000000, -0.0042199300000000, -0.0025062500000000 ] - [ 0.0004760800000000, -0.0002382500000000, 0.0001949100000000 ] - [ -0.0010617400000000, -0.0010574800000000, 0.0010739800000000 ] - [ 0.0000409300000000, -0.0000369100000000, -0.0000230200000000 ] - [ -0.0003325700000000, -0.0009412900000000, -0.0002075000000000 ] - [ -0.0002381100000000, -0.0003186700000000, 0.0004880600000000 ] - [ 0.0003555000000000, -0.0011109500000000, 0.0001946900000000 ] - [ 0.0001856200000000, -0.0003279800000000, 0.0002683600000000 ] - [ 0.0004483200000000, 0.0007341900000000, 0.0004752100000000 ] - [ -0.0001822500000000, 0.0008158600000000, 0.0004016500000000 ] - [ 0.0058043900000000, 0.0010837400000000, 0.0072056500000000 ] - [ -0.0001958000000000, -0.0002540900000000, -0.0002531700000000 ] - [ -0.0002476800000000, 0.0006299800000000, -0.0002962400000000 ] - [ -0.0005000300000000, 0.0011919700000000, -0.0003052200000000 ] - [ -0.0000955600000000, 0.0006277500000000, -0.0003761800000000 ] - [ 0.0009883700000000, 0.0013167000000000, -0.0001202500000000 ] - [ -0.0000304900000000, 0.0001765500000000, 0.0002098800000000 ] - [ 0.0008148300000000, 0.0008787700000000, 0.0004753700000000 ] - [ -0.0007905900000000, 0.0005995500000000, -0.0004918700000000 ] - [ -0.0004549400000000, 0.0004621300000000, -0.0003010400000000 ] - [ -0.0005851500000000, -0.0004962200000000, 0.0000506000000000 ] - [ 0.0061398700000000, -0.0047397900000000, 0.0018951200000000 ] - [ 0.0003244800000000, 0.0002998200000000, -0.0003063500000000 ] - [ 0.0002236600000000, 0.0004233600000000, -0.0007534800000000 ] - [ 0.0002471400000000, -0.0002127800000000, -0.0002471700000000 ] - [ -0.0114975200000000, 0.0027214300000000, 0.0035454400000000 ] - [ 0.0002453700000000, 0.0004048900000000, 0.0003364200000000 ] - [ 0.0007755800000000, 0.0017605400000000, 0.0004166400000000 ] - [ -0.0002872100000000, -0.0002051900000000, -0.0000968000000000 ] - [ -0.0004174400000000, -0.0008212000000000, 0.0000481000000000 ] - [ 0.0000163200000000, 0.0002156400000000, 0.0002882000000000 ] - [ -0.0064645100000000, 0.0026908600000000, -0.0080506500000000 ] - [ 0.0002106100000000, -0.0001401300000000, -0.0003466400000000 ] - [ 0.0003567100000000, -0.0009160000000000, 0.0006722300000000 ] - [ 0.0002705200000000, -0.0000122800000000, 0.0003317700000000 ] - [ 0.0002875000000000, 0.0003952900000000, 0.0003400100000000 ] - [ -0.0002382400000000, -0.0004784500000000, 0.0000306300000000 ] - [ 0.0006261500000000, -0.0011778900000000, -0.0004347200000000 ]- atom: 83 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002827900000000, 0.0035793600000000, 0.0013175400000000 ] - [ 0.0000453000000000, 0.0003700700000000, -0.0000201400000000 ] - [ 0.0004016300000000, 0.0029525700000000, -0.0010054100000000 ] - [ -0.0000117400000000, 0.0001623700000000, -0.0000158500000000 ] - [ 0.0002734000000000, -0.0031270800000000, -0.0000195400000000 ] - [ 0.0001867600000000, -0.0002015400000000, 0.0000589800000000 ] - [ -0.0001119700000000, 0.0000491800000000, 0.0008432200000000 ] - [ 0.0000626900000000, -0.0003267400000000, -0.0000121400000000 ] - [ 0.0004721600000000, -0.0017326700000000, 0.0016273900000000 ] - [ 0.0002258200000000, -0.0000750700000000, 0.0001958200000000 ] - [ 0.0001526400000000, 0.0002450500000000, -0.0006177000000000 ] - [ -0.0000326100000000, -0.0001025400000000, -0.0000308600000000 ] - [ 0.0000327300000000, 0.0007828000000000, -0.0000657900000000 ] - [ 0.0002797400000000, 0.0001600600000000, -0.0001530700000000 ] - [ 0.0001917600000000, -0.0024525500000000, 0.0003154900000000 ] - [ 0.0001157700000000, 0.0000874900000000, 0.0000818400000000 ] - [ 0.0012592200000000, 0.0014846900000000, 0.0005677900000000 ] - [ 0.0003039000000000, 0.0003816600000000, 0.0002150100000000 ] - [ 0.0003345800000000, 0.0002927000000000, -0.0003264900000000 ] - [ -0.0000368700000000, -0.0000373600000000, 0.0002910300000000 ] - [ -0.0000638900000000, -0.0002193700000000, 0.0007175500000000 ] - [ 0.0000880300000000, 0.0000231800000000, 0.0001777500000000 ] - [ -0.0004607200000000, 0.0009524500000000, -0.0004578100000000 ] - [ -0.0002615000000000, 0.0005523500000000, -0.0004128400000000 ] - [ 0.0002076600000000, 0.0006317100000000, -0.0003276000000000 ] - [ 0.0002384600000000, -0.0000046300000000, -0.0001878300000000 ] - [ 0.0004101600000000, -0.0005797700000000, 0.0004089700000000 ] - [ 0.0001467000000000, -0.0000821200000000, 0.0002223400000000 ] - [ 0.0003523500000000, -0.0000738800000000, 0.0001870200000000 ] - [ 0.0006838600000000, -0.0002663600000000, 0.0003844900000000 ] - [ -0.0005050800000000, 0.0001993000000000, -0.0005431600000000 ] - [ 0.0003423800000000, 0.0000687600000000, -0.0005171800000000 ] - [ -0.0011022700000000, 0.0014304500000000, -0.0021836000000000 ] - [ 0.0001721100000000, 0.0000114600000000, 0.0003130000000000 ] - [ -0.0012921400000000, 0.0002647300000000, -0.0000705800000000 ] - [ 0.0000329900000000, 0.0003796400000000, 0.0000011100000000 ] - [ -0.0003320600000000, -0.0001226100000000, -0.0003930100000000 ] - [ -0.0003485300000000, -0.0000883100000000, -0.0003469300000000 ] - [ -0.0002414400000000, -0.0004256900000000, 0.0002809500000000 ] - [ -0.0003773700000000, -0.0008204900000000, 0.0001273500000000 ] - [ 0.0003161600000000, -0.0012041600000000, 0.0001778300000000 ] - [ 0.0003020600000000, -0.0004705200000000, 0.0003733600000000 ] - [ 0.0001775100000000, 0.0001297000000000, -0.0001624800000000 ] - [ -0.0007427600000000, 0.0010813700000000, -0.0004017400000000 ] - [ 0.0000640500000000, 0.0000642600000000, -0.0003528200000000 ] - [ -0.0004307900000000, 0.0004858600000000, -0.0006413300000000 ] - [ -0.0002208400000000, -0.0001402100000000, 0.0000922000000000 ] - [ -0.0007803500000000, -0.0003179200000000, -0.0003008400000000 ] - [ -0.0001664100000000, -0.0000276900000000, -0.0001162300000000 ] - [ 0.0000567800000000, 0.0005960400000000, -0.0003030300000000 ] - [ -0.0002418000000000, -0.0001960500000000, 0.0001680500000000 ] - [ -0.0002406100000000, -0.0009406900000000, 0.0002325400000000 ] - [ -0.0001351200000000, 0.0001311600000000, 0.0000088500000000 ] - [ 0.0033456300000000, 0.0023001300000000, -0.0013155000000000 ] - [ -0.0002207500000000, 0.0000792200000000, -0.0002889000000000 ] - [ 0.0000309400000000, 0.0003227900000000, 0.0001147200000000 ] - [ -0.0001182200000000, 0.0003270000000000, 0.0000231000000000 ] - [ 0.0017118200000000, 0.0023459000000000, 0.0026141000000000 ] - [ -0.0001668100000000, 0.0002149700000000, -0.0000458400000000 ] - [ -0.0001418300000000, 0.0008340500000000, 0.0001633300000000 ] - [ 0.0000810700000000, -0.0001599300000000, 0.0000728300000000 ] - [ 0.0001784100000000, -0.0001149400000000, -0.0004636600000000 ] - [ 0.0000957200000000, -0.0004148400000000, 0.0000433300000000 ] - [ -0.0002966100000000, -0.0000987500000000, 0.0006118400000000 ] - [ 0.0003394200000000, 0.0024891600000000, 0.0000313700000000 ] - [ 0.0002086700000000, -0.0004223700000000, -0.0001556000000000 ] - [ 0.0002670600000000, 0.0015540400000000, -0.0001167700000000 ] - [ 0.0002559000000000, 0.0006079800000000, -0.0001432700000000 ] - [ -0.0143804800000000, -0.0335967100000000, -0.0057716100000000 ] - [ 0.0001928000000000, -0.0008298500000000, 0.0001728400000000 ] - [ 0.0000983900000000, -0.0007827600000000, 0.0003509300000000 ] - [ 0.0000929300000000, 0.0003795500000000, 0.0002358600000000 ] - [ -0.0001729200000000, -0.0001198200000000, 0.0000448400000000 ] - [ -0.0000017100000000, 0.0005811600000000, -0.0000431900000000 ] - [ -0.0003532600000000, 0.0012960800000000, -0.0000990300000000 ] - [ -0.0001353400000000, 0.0012947400000000, -0.0001080800000000 ] - [ -0.0002625100000000, -0.0006886700000000, 0.0001375800000000 ] - [ 0.0128346200000000, -0.0326226300000000, 0.0038727900000000 ] - [ -0.0001667600000000, 0.0002604400000000, 0.0000248400000000 ] - [ -0.0001035800000000, -0.0007598400000000, 0.0002232300000000 ] - [ -0.0000650900000000, -0.0029349900000000, 0.0004018800000000 ] - [ 0.0000776400000000, 0.0002673100000000, -0.0002462400000000 ] - [ -0.0024446100000000, 0.0665274800000000, 0.0007352900000000 ] - [ -0.0002476500000000, 0.0003138400000000, -0.0003123300000000 ] - [ -0.0005999900000000, -0.0030809300000000, -0.0003821100000000 ] - [ -0.0002292100000000, -0.0000452200000000, 0.0003333300000000 ] - [ 0.0000207100000000, -0.0013144000000000, 0.0000800400000000 ] - [ 0.0000614800000000, -0.0004198400000000, -0.0002291700000000 ] - [ 0.0009863600000000, -0.0026087800000000, 0.0001813500000000 ] - [ 0.0005369000000000, -0.0002880500000000, 0.0000800200000000 ] - [ -0.0003457500000000, 0.0005979600000000, -0.0002109600000000 ] - [ -0.0002392800000000, -0.0000731900000000, -0.0003064900000000 ] - [ -0.0001731200000000, -0.0010521800000000, -0.0001250800000000 ] - [ -0.0002290100000000, -0.0000994900000000, 0.0003120600000000 ] - [ -0.0128130800000000, -0.0028711100000000, 0.0037607200000000 ] - [ -0.0001677900000000, 0.0003737300000000, 0.0005479800000000 ] - [ 0.0004331700000000, -0.0006860100000000, 0.0000294700000000 ] - [ 0.0004652800000000, 0.0000541800000000, 0.0000507900000000 ] - [ 0.0079860100000000, 0.0041986300000000, 0.0030922900000000 ] - [ 0.0004416400000000, 0.0002528500000000, 0.0003890700000000 ] - [ 0.0008432300000000, 0.0013207100000000, -0.0014895400000000 ] - [ -0.0002584700000000, 0.0003093100000000, -0.0004023300000000 ] - [ -0.0001158200000000, 0.0005857700000000, 0.0011321200000000 ] - [ -0.0002121600000000, -0.0000302400000000, 0.0004357700000000 ] - [ 0.0005642800000000, 0.0010937800000000, 0.0003895200000000 ] - [ 0.0007324500000000, 0.0003128900000000, 0.0003134400000000 ] - [ -0.0002310800000000, -0.0004589400000000, -0.0000503100000000 ] - [ 0.0003991200000000, -0.0005401500000000, 0.0000244300000000 ] - [ -0.0060451900000000, -0.0013327900000000, -0.0076660900000000 ] - [ -0.0000206300000000, -0.0000193300000000, -0.0001710600000000 ] - [ -0.0006726000000000, -0.0006148600000000, -0.0002870100000000 ] - [ -0.0004171600000000, -0.0011743000000000, -0.0002772800000000 ] - [ 0.0005446700000000, -0.0002806300000000, -0.0005488000000000 ] - [ -0.0005314000000000, -0.0009667600000000, -0.0008002000000000 ] - [ 0.0002463200000000, -0.0004504500000000, 0.0002148100000000 ] - [ -0.0005923600000000, -0.0011508200000000, -0.0000491600000000 ] - [ -0.0001311000000000, -0.0006136400000000, -0.0000922900000000 ] - [ -0.0004626400000000, -0.0004773300000000, -0.0002818800000000 ] - [ -0.0004276500000000, 0.0001575400000000, -0.0001878800000000 ] - [ -0.0071812400000000, 0.0043772500000000, -0.0020406000000000 ] - [ 0.0001259200000000, -0.0006468700000000, -0.0006170000000000 ] - [ 0.0002277500000000, -0.0007699500000000, -0.0001702500000000 ] - [ 0.0001844200000000, 0.0002604100000000, -0.0004048800000000 ] - [ 0.0120004000000000, -0.0026565300000000, -0.0042249100000000 ] - [ 0.0002949900000000, 0.0000143600000000, 0.0003042400000000 ] - [ -0.0002291600000000, -0.0013365500000000, 0.0002257100000000 ] - [ -0.0007234200000000, 0.0005410000000000, -0.0000380600000000 ] - [ -0.0005963500000000, 0.0011574100000000, -0.0001848000000000 ] - [ -0.0001177700000000, 0.0004571700000000, 0.0002055800000000 ] - [ 0.0063998300000000, -0.0020007400000000, 0.0085965500000000 ] - [ 0.0002196500000000, 0.0000916700000000, -0.0003038600000000 ] - [ 0.0000722000000000, 0.0008605000000000, -0.0013212700000000 ] - [ 0.0002699700000000, -0.0004069500000000, 0.0003089600000000 ] - [ 0.0002547200000000, -0.0008142400000000, 0.0003011100000000 ] - [ 0.0001378700000000, -0.0001963300000000, 0.0004631000000000 ] - [ -0.0007284400000000, 0.0004963300000000, 0.0009246400000000 ]- atom: 83 displacement: [ -0.0030577532044204, 0.0000000000000000, 0.0095210369887348 ] forces: - [ -0.0001435200000000, -0.0014470000000000, 0.0004691800000000 ] - [ 0.0000730000000000, 0.0003496100000000, -0.0000138700000000 ] - [ -0.0001002100000000, 0.0015961600000000, 0.0005190600000000 ] - [ 0.0000135900000000, 0.0001328700000000, -0.0000151600000000 ] - [ -0.0006691800000000, -0.0024076600000000, 0.0026175000000000 ] - [ 0.0001482400000000, -0.0001432600000000, 0.0000648100000000 ] - [ 0.0002504400000000, -0.0008772200000000, -0.0006905900000000 ] - [ 0.0000134100000000, -0.0003482400000000, -0.0000257300000000 ] - [ -0.0010538000000000, -0.0001998300000000, 0.0020914300000000 ] - [ 0.0001467000000000, -0.0000270600000000, 0.0002358700000000 ] - [ 0.0001216600000000, 0.0004444600000000, -0.0005626200000000 ] - [ -0.0000336700000000, -0.0001312300000000, -0.0000269800000000 ] - [ 0.0003880100000000, 0.0000852500000000, -0.0002269300000000 ] - [ 0.0002246600000000, 0.0000657000000000, -0.0001434100000000 ] - [ -0.0010962900000000, 0.0021907900000000, 0.0039801400000000 ] - [ 0.0001457600000000, 0.0001432300000000, 0.0000753600000000 ] - [ 0.0004191300000000, 0.0001953300000000, 0.0010551000000000 ] - [ 0.0007640600000000, 0.0002007600000000, 0.0002724100000000 ] - [ 0.0006141000000000, 0.0005726100000000, -0.0004163500000000 ] - [ -0.0000023800000000, -0.0000111700000000, 0.0003857000000000 ] - [ 0.0003211900000000, -0.0004733200000000, -0.0010588900000000 ] - [ 0.0000850800000000, 0.0000550200000000, 0.0001471400000000 ] - [ -0.0003158600000000, 0.0003419400000000, -0.0001785000000000 ] - [ -0.0002406000000000, 0.0003255600000000, -0.0003330100000000 ] - [ 0.0001745500000000, -0.0001914700000000, -0.0002100200000000 ] - [ 0.0002605700000000, -0.0000567000000000, -0.0002155300000000 ] - [ 0.0014176400000000, 0.0000938700000000, 0.0004086900000000 ] - [ 0.0002338400000000, 0.0003787100000000, 0.0006724100000000 ] - [ 0.0006360900000000, -0.0002799200000000, -0.0000307100000000 ] - [ 0.0004742900000000, -0.0002861900000000, 0.0002060300000000 ] - [ -0.0002179100000000, 0.0000607700000000, -0.0002375400000000 ] - [ 0.0000952700000000, 0.0001307500000000, -0.0003868700000000 ] - [ -0.0008253000000000, 0.0014159600000000, 0.0000733500000000 ] - [ 0.0001716500000000, 0.0000328000000000, 0.0002803100000000 ] - [ -0.0002253000000000, 0.0001670000000000, -0.0001252500000000 ] - [ -0.0006281300000000, 0.0002412600000000, -0.0000554900000000 ] - [ -0.0002456200000000, -0.0003576700000000, -0.0005346700000000 ] - [ -0.0004266900000000, -0.0002479200000000, -0.0004366700000000 ] - [ -0.0003773300000000, -0.0000014100000000, 0.0004721200000000 ] - [ 0.0008888000000000, 0.0003563200000000, 0.0001796100000000 ] - [ -0.0005069000000000, -0.0000393100000000, -0.0003778400000000 ] - [ 0.0003826300000000, -0.0003326800000000, 0.0001577400000000 ] - [ 0.0000222800000000, 0.0000477500000000, -0.0000812500000000 ] - [ -0.0001366500000000, -0.0003011800000000, 0.0005584500000000 ] - [ 0.0000525800000000, 0.0000569600000000, -0.0005126000000000 ] - [ -0.0003225700000000, 0.0002901700000000, -0.0002044600000000 ] - [ -0.0009098600000000, -0.0005964100000000, -0.0004261300000000 ] - [ -0.0004667300000000, -0.0002994100000000, -0.0005222300000000 ] - [ -0.0001808900000000, -0.0001479000000000, -0.0000208000000000 ] - [ -0.0001080900000000, -0.0002081200000000, -0.0000903900000000 ] - [ -0.0001636000000000, -0.0000702900000000, -0.0000452400000000 ] - [ -0.0011499200000000, -0.0002683900000000, -0.0005054400000000 ] - [ 0.0000068800000000, 0.0001448000000000, 0.0000634300000000 ] - [ 0.0010329200000000, 0.0021507200000000, 0.0011220300000000 ] - [ -0.0001694700000000, 0.0000605000000000, -0.0002738500000000 ] - [ -0.0001460100000000, -0.0000646300000000, -0.0005523900000000 ] - [ 0.0000086000000000, 0.0003491300000000, -0.0000113200000000 ] - [ -0.0013806700000000, -0.0014662500000000, -0.0002143600000000 ] - [ -0.0001519500000000, 0.0001309800000000, -0.0001285000000000 ] - [ -0.0002083400000000, 0.0002495000000000, -0.0001914300000000 ] - [ -0.0000676000000000, -0.0001566400000000, -0.0000706700000000 ] - [ 0.0000278900000000, 0.0004247700000000, -0.0010565500000000 ] - [ -0.0001708500000000, -0.0003858500000000, 0.0000709200000000 ] - [ 0.0005118400000000, -0.0009772600000000, -0.0008226000000000 ] - [ -0.0001774200000000, -0.0006243500000000, 0.0010658900000000 ] - [ 0.0003137500000000, -0.0005069900000000, -0.0001207800000000 ] - [ 0.0004875800000000, 0.0004841800000000, -0.0010437200000000 ] - [ 0.0001383400000000, 0.0005091700000000, -0.0001763800000000 ] - [ -0.0056937000000000, 0.0003886200000000, 0.0239752200000000 ] - [ 0.0003508000000000, -0.0007016200000000, 0.0001801900000000 ] - [ 0.0009834200000000, 0.0006435000000000, -0.0022935700000000 ] - [ -0.0000078200000000, 0.0005200300000000, 0.0000966700000000 ] - [ -0.0000351100000000, -0.0005428300000000, -0.0001357500000000 ] - [ -0.0004232000000000, -0.0007027000000000, 0.0003759500000000 ] - [ -0.0003634200000000, 0.0005899200000000, -0.0001228500000000 ] - [ -0.0000303400000000, 0.0006295300000000, -0.0007280600000000 ] - [ -0.0000734000000000, -0.0004566400000000, 0.0001794200000000 ] - [ -0.0080905500000000, 0.0000271000000000, 0.0232661800000000 ] - [ -0.0004648400000000, 0.0006592200000000, 0.0000551900000000 ] - [ 0.0005772600000000, 0.0005405600000000, -0.0023556700000000 ] - [ 0.0003648700000000, -0.0005292100000000, -0.0009334300000000 ] - [ 0.0000169700000000, 0.0003314100000000, -0.0002625500000000 ] - [ 0.0172492400000000, -0.0015777600000000, -0.0550928600000000 ] - [ -0.0004142900000000, 0.0002096900000000, -0.0003608400000000 ] - [ 0.0002531900000000, 0.0011938900000000, 0.0000274300000000 ] - [ -0.0002454800000000, 0.0000202700000000, 0.0003206400000000 ] - [ -0.0001208100000000, -0.0008374800000000, 0.0005356900000000 ] - [ 0.0001268900000000, -0.0003395000000000, -0.0002189800000000 ] - [ 0.0007707400000000, -0.0001901000000000, -0.0007814800000000 ] - [ 0.0004269900000000, -0.0001346600000000, 0.0000386000000000 ] - [ -0.0015670400000000, -0.0000835100000000, 0.0039126800000000 ] - [ -0.0000430500000000, -0.0002066800000000, -0.0002395200000000 ] - [ -0.0004366800000000, 0.0005725700000000, 0.0010363800000000 ] - [ -0.0001600800000000, -0.0000237100000000, 0.0003425600000000 ] - [ -0.0092755900000000, -0.0074948400000000, -0.0018635300000000 ] - [ -0.0003215700000000, 0.0001629000000000, 0.0003350300000000 ] - [ 0.0003584300000000, 0.0001674000000000, 0.0005584200000000 ] - [ 0.0005929700000000, 0.0001805100000000, 0.0001015900000000 ] - [ 0.0034626400000000, -0.0005675100000000, -0.0039840400000000 ] - [ 0.0002025600000000, -0.0000286700000000, 0.0002078500000000 ] - [ -0.0017532400000000, 0.0006632500000000, 0.0015442200000000 ] - [ -0.0000175600000000, 0.0001708100000000, -0.0002529900000000 ] - [ 0.0001170300000000, -0.0007764000000000, 0.0027774700000000 ] - [ -0.0001565300000000, -0.0001427400000000, 0.0005624400000000 ] - [ 0.0000574300000000, -0.0000539200000000, 0.0014654700000000 ] - [ 0.0008260000000000, 0.0001150400000000, 0.0004299400000000 ] - [ 0.0002355900000000, 0.0002720300000000, -0.0000535800000000 ] - [ -0.0002675000000000, 0.0005185600000000, 0.0005928200000000 ] - [ 0.0074863900000000, 0.0061985200000000, 0.0032762400000000 ] - [ -0.0001953600000000, -0.0001319800000000, -0.0001458800000000 ] - [ -0.0007221300000000, -0.0002369900000000, -0.0003085100000000 ] - [ -0.0003742100000000, -0.0000123200000000, -0.0009052800000000 ] - [ 0.0001446600000000, 0.0001748100000000, -0.0006297900000000 ] - [ 0.0000365800000000, -0.0001544400000000, -0.0009428900000000 ] - [ 0.0000096600000000, -0.0001532200000000, 0.0003395100000000 ] - [ 0.0005530300000000, 0.0002200600000000, 0.0000653600000000 ] - [ -0.0003429400000000, -0.0000703400000000, -0.0002756500000000 ] - [ -0.0005221400000000, -0.0000002100000000, -0.0000087900000000 ] - [ -0.0007668100000000, -0.0001356600000000, -0.0002032200000000 ] - [ 0.0016190100000000, -0.0002031000000000, -0.0047257700000000 ] - [ 0.0003273700000000, 0.0000962800000000, -0.0001834200000000 ] - [ 0.0001905700000000, -0.0004801200000000, 0.0001697000000000 ] - [ 0.0001437800000000, 0.0000561500000000, -0.0004646800000000 ] - [ -0.0092543500000000, 0.0076876500000000, -0.0017637800000000 ] - [ 0.0001355300000000, 0.0001874700000000, 0.0002914500000000 ] - [ 0.0005757700000000, 0.0002748600000000, -0.0001890100000000 ] - [ -0.0000856600000000, 0.0000206000000000, 0.0001184200000000 ] - [ -0.0008439000000000, 0.0001374900000000, 0.0010710300000000 ] - [ -0.0001582500000000, 0.0003336800000000, 0.0002973300000000 ] - [ 0.0072963100000000, -0.0062235100000000, 0.0029227000000000 ] - [ 0.0002737800000000, -0.0000798800000000, -0.0002073100000000 ] - [ 0.0005557400000000, 0.0006661300000000, 0.0021025400000000 ] - [ 0.0004003000000000, -0.0001991500000000, 0.0003430800000000 ] - [ 0.0001275500000000, -0.0001954500000000, 0.0006950400000000 ] - [ 0.0000733500000000, -0.0003996400000000, 0.0002326000000000 ] - [ -0.0017426300000000, -0.0011064300000000, 0.0019197200000000 ]- atom: 83 displacement: [ 0.0030577532044204, 0.0000000000000000, -0.0095210369887348 ] forces: - [ 0.0002302100000000, 0.0021401500000000, -0.0005139000000000 ] - [ 0.0000116900000000, 0.0003524100000000, -0.0000220500000000 ] - [ 0.0000860300000000, -0.0013306800000000, -0.0005499800000000 ] - [ -0.0000256100000000, 0.0001402900000000, -0.0000228800000000 ] - [ 0.0008730900000000, 0.0020602800000000, -0.0020618700000000 ] - [ 0.0001830500000000, -0.0001465700000000, 0.0000812100000000 ] - [ -0.0001652200000000, 0.0001674400000000, 0.0006540100000000 ] - [ 0.0000716700000000, -0.0003538900000000, -0.0000100900000000 ] - [ 0.0012851400000000, 0.0001839600000000, -0.0016582500000000 ] - [ 0.0001260500000000, -0.0000524500000000, 0.0001760500000000 ] - [ -0.0001335800000000, -0.0007261000000000, 0.0005251100000000 ] - [ 0.0000214000000000, -0.0001419400000000, -0.0000111700000000 ] - [ 0.0001155200000000, 0.0000327900000000, -0.0001269800000000 ] - [ 0.0002784200000000, 0.0000547900000000, -0.0002114200000000 ] - [ 0.0015857300000000, -0.0019098300000000, -0.0043179800000000 ] - [ 0.0001844200000000, 0.0001469100000000, 0.0000703200000000 ] - [ 0.0007033200000000, 0.0003472500000000, -0.0005717900000000 ] - [ 0.0003620500000000, 0.0003495400000000, 0.0002134000000000 ] - [ -0.0003540000000000, -0.0006178900000000, 0.0010546200000000 ] - [ 0.0002604000000000, -0.0000385400000000, 0.0002471800000000 ] - [ -0.0000444500000000, 0.0005639700000000, 0.0014708200000000 ] - [ 0.0001867500000000, 0.0000249000000000, 0.0002652400000000 ] - [ -0.0003183400000000, 0.0003458700000000, -0.0005564500000000 ] - [ -0.0003944400000000, 0.0003625700000000, -0.0004030700000000 ] - [ 0.0003291500000000, 0.0000694700000000, -0.0001459600000000 ] - [ 0.0002419200000000, -0.0000637700000000, -0.0001393900000000 ] - [ -0.0007806000000000, 0.0005980800000000, 0.0003347700000000 ] - [ 0.0004056900000000, 0.0003088200000000, 0.0000637500000000 ] - [ 0.0004923700000000, -0.0002735300000000, 0.0005177300000000 ] - [ 0.0006504900000000, -0.0002639600000000, 0.0002810300000000 ] - [ -0.0000394800000000, -0.0001065500000000, -0.0003960300000000 ] - [ -0.0003540200000000, -0.0001805100000000, -0.0002483400000000 ] - [ 0.0010913500000000, -0.0013698300000000, 0.0005565300000000 ] - [ 0.0000847700000000, 0.0000163000000000, 0.0003517400000000 ] - [ -0.0008986800000000, 0.0003845000000000, -0.0003576700000000 ] - [ -0.0004971400000000, 0.0003146500000000, -0.0004307200000000 ] - [ -0.0003880600000000, -0.0003319000000000, -0.0002006400000000 ] - [ -0.0002087100000000, -0.0004412100000000, -0.0002982100000000 ] - [ -0.0001297700000000, 0.0001207800000000, -0.0001182600000000 ] - [ -0.0013939200000000, -0.0002326800000000, 0.0001660300000000 ] - [ 0.0011505000000000, -0.0006468000000000, 0.0011080600000000 ] - [ 0.0002500100000000, -0.0003553600000000, 0.0005769200000000 ] - [ -0.0002947200000000, -0.0001285700000000, -0.0003305600000000 ] - [ -0.0001321800000000, 0.0002140300000000, -0.0009697900000000 ] - [ -0.0003090800000000, -0.0000080500000000, -0.0001193200000000 ] - [ 0.0000675600000000, -0.0002449900000000, -0.0004249400000000 ] - [ -0.0002166700000000, 0.0000441200000000, -0.0000636200000000 ] - [ -0.0006595700000000, -0.0002505300000000, 0.0000354100000000 ] - [ -0.0001498100000000, -0.0001421200000000, -0.0001250400000000 ] - [ -0.0002226100000000, -0.0000838300000000, -0.0000566800000000 ] - [ -0.0003371800000000, -0.0000493400000000, 0.0004005000000000 ] - [ 0.0006380700000000, 0.0001512100000000, 0.0008652800000000 ] - [ 0.0000048700000000, 0.0001293400000000, -0.0000249500000000 ] - [ -0.0010171000000000, -0.0018678300000000, -0.0010984200000000 ] - [ -0.0001010600000000, 0.0000195000000000, -0.0001387100000000 ] - [ -0.0001284400000000, 0.0001418600000000, 0.0001398900000000 ] - [ -0.0000924500000000, 0.0003534100000000, 0.0000474600000000 ] - [ 0.0012879600000000, 0.0021678600000000, 0.0002567100000000 ] - [ -0.0001782700000000, 0.0001590200000000, -0.0000174800000000 ] - [ -0.0001228500000000, 0.0000386200000000, 0.0000464200000000 ] - [ 0.0000799100000000, -0.0001171500000000, 0.0001084800000000 ] - [ -0.0000212400000000, -0.0006899500000000, 0.0010942100000000 ] - [ 0.0000858000000000, -0.0003169300000000, -0.0000353800000000 ] - [ -0.0005988500000000, 0.0002796300000000, 0.0008537600000000 ] - [ 0.0006357000000000, -0.0003989400000000, -0.0013587100000000 ] - [ 0.0001456300000000, -0.0005095900000000, -0.0001733900000000 ] - [ -0.0000296000000000, 0.0005291100000000, 0.0007488700000000 ] - [ 0.0003206200000000, 0.0005074700000000, -0.0001182300000000 ] - [ 0.0062569200000000, -0.0015712500000000, -0.0235679200000000 ] - [ 0.0000556400000000, -0.0006105900000000, 0.0001440300000000 ] - [ -0.0005558300000000, 0.0006684700000000, 0.0026255700000000 ] - [ 0.0004140800000000, 0.0007928900000000, 0.0002304600000000 ] - [ -0.0003706000000000, -0.0007699300000000, -0.0001883300000000 ] - [ 0.0000164700000000, -0.0006116500000000, -0.0007012600000000 ] - [ -0.0000415300000000, 0.0007207800000000, -0.0002034800000000 ] - [ -0.0003767600000000, 0.0006802200000000, 0.0004010000000000 ] - [ -0.0003850800000000, -0.0005595900000000, 0.0001157800000000 ] - [ 0.0074947100000000, -0.0009265400000000, -0.0229938000000000 ] - [ 0.0000060400000000, 0.0003582900000000, 0.0002368600000000 ] - [ -0.0010569500000000, 0.0004754500000000, 0.0026438400000000 ] - [ -0.0002642300000000, 0.0012069600000000, 0.0004412100000000 ] - [ 0.0000846500000000, 0.0003417400000000, -0.0002303300000000 ] - [ -0.0178248600000000, 0.0018573300000000, 0.0544734800000000 ] - [ -0.0001263800000000, 0.0002095000000000, -0.0002799400000000 ] - [ -0.0006822800000000, -0.0011406300000000, 0.0006226000000000 ] - [ -0.0001859600000000, 0.0000262200000000, 0.0003315800000000 ] - [ 0.0002224200000000, 0.0001652700000000, -0.0010316400000000 ] - [ -0.0000258300000000, -0.0003337200000000, -0.0002733800000000 ] - [ 0.0002416100000000, -0.0001400900000000, 0.0009175700000000 ] - [ 0.0005855100000000, -0.0002016200000000, 0.0000979900000000 ] - [ 0.0010251000000000, -0.0003362200000000, -0.0045536900000000 ] - [ -0.0004977200000000, -0.0002126500000000, -0.0004014300000000 ] - [ 0.0000056100000000, -0.0006185500000000, -0.0003810600000000 ] - [ -0.0002709700000000, -0.0000223100000000, 0.0003094600000000 ] - [ 0.0088354200000000, 0.0078234800000000, 0.0027380700000000 ] - [ -0.0001305300000000, 0.0001866400000000, 0.0005895500000000 ] - [ 0.0006541800000000, 0.0001747700000000, -0.0004217600000000 ] - [ 0.0004197000000000, 0.0001559300000000, 0.0000346500000000 ] - [ -0.0025056700000000, 0.0005602200000000, 0.0045893700000000 ] - [ 0.0007154500000000, 0.0000429500000000, 0.0003775500000000 ] - [ 0.0015209900000000, -0.0003823100000000, -0.0019719300000000 ] - [ -0.0002003500000000, 0.0001019100000000, -0.0001731400000000 ] - [ -0.0005839000000000, 0.0004375400000000, -0.0018618700000000 ] - [ -0.0002925500000000, -0.0002056400000000, 0.0003604500000000 ] - [ 0.0008521800000000, 0.0000318100000000, -0.0008860200000000 ] - [ 0.0000927800000000, -0.0001297800000000, 0.0001508400000000 ] - [ -0.0000183500000000, 0.0000033600000000, 0.0004789600000000 ] - [ 0.0004836100000000, -0.0002429900000000, -0.0001655700000000 ] - [ -0.0077331200000000, -0.0065002900000000, -0.0036772300000000 ] - [ -0.0000204400000000, -0.0001411900000000, -0.0002771900000000 ] - [ -0.0001974300000000, 0.0002520500000000, -0.0002761600000000 ] - [ -0.0005450400000000, 0.0000295800000000, 0.0003215400000000 ] - [ 0.0003058900000000, 0.0001729900000000, -0.0002961900000000 ] - [ 0.0004156300000000, 0.0005032300000000, 0.0000225900000000 ] - [ 0.0002050600000000, -0.0001190900000000, 0.0000830300000000 ] - [ -0.0003325600000000, -0.0004921700000000, 0.0003572400000000 ] - [ -0.0005785500000000, 0.0000569900000000, -0.0003072800000000 ] - [ -0.0003949100000000, -0.0000126800000000, -0.0005737700000000 ] - [ -0.0002455100000000, -0.0002029700000000, 0.0000645600000000 ] - [ -0.0026755000000000, -0.0001522500000000, 0.0045690700000000 ] - [ 0.0001223500000000, -0.0004435400000000, -0.0007391800000000 ] - [ 0.0002617900000000, 0.0001326800000000, -0.0010943900000000 ] - [ 0.0002890600000000, -0.0000083100000000, -0.0001880300000000 ] - [ 0.0096911200000000, -0.0076693500000000, 0.0011579000000000 ] - [ 0.0004050200000000, 0.0002321600000000, 0.0003487800000000 ] - [ -0.0000337400000000, 0.0001483500000000, 0.0008296700000000 ] - [ -0.0009261700000000, 0.0003156800000000, -0.0002526100000000 ] - [ -0.0001593000000000, 0.0001924400000000, -0.0012038300000000 ] - [ 0.0000564600000000, 0.0003389400000000, 0.0001953800000000 ] - [ -0.0073730900000000, 0.0068750800000000, -0.0024648600000000 ] - [ 0.0001557500000000, 0.0000322600000000, -0.0004432300000000 ] - [ -0.0001099700000000, -0.0007037700000000, -0.0027465100000000 ] - [ 0.0001402000000000, -0.0002196100000000, 0.0002978200000000 ] - [ 0.0004143400000000, -0.0002212100000000, -0.0000536800000000 ] - [ -0.0001731600000000, -0.0002743400000000, 0.0002618800000000 ] - [ 0.0016595100000000, 0.0004435700000000, -0.0014228000000000 ]- atom: 85 displacement: [ 0.0099997439015081, 0.0000000000000000, 0.0000715674804079 ] forces: - [ 0.0008583100000000, -0.0000417100000000, 0.0004407600000000 ] - [ -0.0003137500000000, 0.0003653000000000, -0.0001302400000000 ] - [ 0.0016602600000000, 0.0000092300000000, 0.0001368900000000 ] - [ -0.0004300100000000, 0.0001300200000000, -0.0001013000000000 ] - [ 0.0012670300000000, -0.0004112800000000, 0.0003887000000000 ] - [ -0.0002223800000000, -0.0001402500000000, 0.0000044500000000 ] - [ 0.0042956400000000, 0.0002810600000000, -0.0022564700000000 ] - [ -0.0004125900000000, -0.0003270000000000, -0.0001130800000000 ] - [ 0.0048870500000000, 0.0051261800000000, 0.0008559100000000 ] - [ -0.0003213400000000, -0.0000278300000000, 0.0001553800000000 ] - [ 0.0004169900000000, -0.0001094600000000, 0.0010972400000000 ] - [ -0.0003913800000000, -0.0001049500000000, -0.0002445600000000 ] - [ 0.0079387800000000, -0.0041042000000000, -0.0009821800000000 ] - [ -0.0004744400000000, 0.0000339500000000, -0.0002982400000000 ] - [ 0.0007033400000000, 0.0002583300000000, 0.0003621900000000 ] - [ -0.0001673300000000, 0.0001486400000000, -0.0000901400000000 ] - [ 0.0006107700000000, 0.0007655500000000, -0.0000380900000000 ] - [ 0.0001589000000000, 0.0001085400000000, 0.0002531100000000 ] - [ 0.0002419700000000, 0.0007444500000000, 0.0005263800000000 ] - [ -0.0002420700000000, -0.0001375400000000, 0.0001695900000000 ] - [ 0.0003736900000000, 0.0000273900000000, 0.0004302000000000 ] - [ -0.0001417200000000, 0.0000591600000000, 0.0000544000000000 ] - [ -0.0014965000000000, 0.0012615200000000, -0.0025123000000000 ] - [ -0.0009261100000000, 0.0002891400000000, -0.0001803000000000 ] - [ 0.0007631400000000, -0.0001602500000000, 0.0000146500000000 ] - [ -0.0001463500000000, -0.0000793800000000, -0.0003808700000000 ] - [ 0.0000442100000000, 0.0000068600000000, 0.0003105400000000 ] - [ -0.0000105500000000, 0.0004816100000000, 0.0003253200000000 ] - [ -0.0000413900000000, -0.0005789400000000, 0.0010783900000000 ] - [ -0.0000323400000000, 0.0000233500000000, -0.0002340100000000 ] - [ -0.0004211300000000, -0.0002480700000000, -0.0008506000000000 ] - [ -0.0002670200000000, 0.0002003600000000, -0.0000316900000000 ] - [ 0.0008635600000000, 0.0001043200000000, -0.0004014500000000 ] - [ -0.0001767300000000, 0.0000396600000000, 0.0001961900000000 ] - [ -0.0020185100000000, -0.0005841000000000, -0.0002937900000000 ] - [ -0.0015774000000000, 0.0008578800000000, -0.0001874200000000 ] - [ -0.0009734000000000, -0.0001262600000000, 0.0003296700000000 ] - [ -0.0008943600000000, -0.0005975900000000, -0.0010011900000000 ] - [ -0.0005085600000000, -0.0000385100000000, 0.0000129300000000 ] - [ -0.0003325100000000, 0.0001587500000000, 0.0004150400000000 ] - [ 0.0003105600000000, -0.0003415800000000, 0.0002935900000000 ] - [ 0.0002034600000000, -0.0003111800000000, 0.0002802600000000 ] - [ -0.0004933500000000, 0.0002928700000000, -0.0004486000000000 ] - [ -0.0001663500000000, -0.0010120900000000, 0.0004722300000000 ] - [ -0.0004468900000000, 0.0002716400000000, -0.0002533800000000 ] - [ -0.0002308700000000, -0.0006463900000000, -0.0006695500000000 ] - [ -0.0006106100000000, -0.0002215200000000, -0.0002971500000000 ] - [ -0.0006448600000000, -0.0004586900000000, -0.0003161700000000 ] - [ -0.0006059500000000, -0.0000731600000000, -0.0004258200000000 ] - [ -0.0001429800000000, -0.0005245600000000, 0.0014646400000000 ] - [ -0.0005380000000000, -0.0000914400000000, 0.0002049800000000 ] - [ -0.0003681100000000, 0.0005479700000000, -0.0002649900000000 ] - [ -0.0004264400000000, 0.0000428800000000, -0.0001821800000000 ] - [ -0.0005784700000000, 0.0016418900000000, 0.0018564300000000 ] - [ -0.0004514600000000, -0.0000417300000000, -0.0002162700000000 ] - [ 0.0002003200000000, 0.0002347200000000, -0.0016148900000000 ] - [ -0.0005171700000000, 0.0002546100000000, 0.0000127800000000 ] - [ 0.0069907100000000, -0.0025279500000000, 0.0014621200000000 ] - [ -0.0006966300000000, 0.0001776000000000, -0.0000647100000000 ] - [ 0.0037556800000000, 0.0002382200000000, -0.0014400000000000 ] - [ -0.0003126700000000, -0.0001315800000000, -0.0000632100000000 ] - [ 0.0005738300000000, -0.0003025900000000, 0.0000545500000000 ] - [ -0.0003136300000000, -0.0003102500000000, -0.0001226500000000 ] - [ 0.0003178600000000, -0.0004772000000000, 0.0003334500000000 ] - [ 0.0378958800000000, 0.0149475600000000, -0.0230447500000000 ] - [ -0.0009020500000000, -0.0005834100000000, -0.0004055400000000 ] - [ 0.0024032500000000, 0.0010779900000000, 0.0015614300000000 ] - [ -0.0006098100000000, 0.0003856400000000, -0.0005340800000000 ] - [ 0.0015926900000000, -0.0014829500000000, 0.0002071400000000 ] - [ -0.0004865000000000, -0.0006950800000000, 0.0000090600000000 ] - [ 0.0007616800000000, -0.0003817400000000, 0.0017601500000000 ] - [ -0.0004172100000000, 0.0008492000000000, -0.0002157000000000 ] - [ -0.0018286100000000, -0.0008878900000000, -0.0002393600000000 ] - [ -0.0063056500000000, -0.0002192500000000, -0.0005591800000000 ] - [ -0.0007677600000000, 0.0005391800000000, -0.0005185800000000 ] - [ 0.0004216700000000, 0.0008594800000000, -0.0003377900000000 ] - [ -0.0009923300000000, -0.0005936700000000, -0.0000811100000000 ] - [ 0.0016668400000000, 0.0000748400000000, 0.0008116800000000 ] - [ -0.0008419600000000, 0.0003847700000000, -0.0001363200000000 ] - [ 0.0008879300000000, 0.0010790900000000, 0.0003163700000000 ] - [ -0.0047369900000000, 0.0005567100000000, -0.0077793400000000 ] - [ 0.0007531000000000, 0.0003617100000000, 0.0000362900000000 ] - [ -0.0027130800000000, 0.0006018800000000, -0.0006174200000000 ] - [ 0.0005999200000000, 0.0002242500000000, -0.0000724500000000 ] - [ -0.0628115800000000, -0.0232623600000000, 0.0359009700000000 ] - [ 0.0006214300000000, 0.0000342600000000, 0.0003737400000000 ] - [ -0.0025045200000000, -0.0013980900000000, -0.0018630100000000 ] - [ 0.0007190100000000, -0.0002979400000000, 0.0000189100000000 ] - [ -0.0054684100000000, -0.0049862400000000, 0.0038408000000000 ] - [ 0.0013999100000000, -0.0002809300000000, 0.0002510500000000 ] - [ -0.0015946000000000, -0.0001724400000000, -0.0009719900000000 ] - [ 0.0005241900000000, -0.0002243400000000, -0.0000070000000000 ] - [ -0.0010431200000000, -0.0000917600000000, -0.0006910000000000 ] - [ 0.0003421400000000, 0.0000127200000000, 0.0006167900000000 ] - [ -0.0009183400000000, 0.0002503500000000, 0.0003835100000000 ] - [ 0.0003431300000000, 0.0002687200000000, 0.0004802700000000 ] - [ 0.0000573400000000, -0.0005539300000000, -0.0029402400000000 ] - [ 0.0013879100000000, 0.0003468900000000, 0.0004893400000000 ] - [ 0.0006587100000000, 0.0013901100000000, 0.0018628600000000 ] - [ 0.0009755100000000, -0.0001937600000000, 0.0003292800000000 ] - [ 0.0005132900000000, 0.0022706800000000, -0.0020510300000000 ] - [ 0.0006197600000000, -0.0001363800000000, 0.0001036500000000 ] - [ -0.0005057500000000, 0.0000008500000000, -0.0004371600000000 ] - [ 0.0002267100000000, -0.0004174900000000, 0.0008246300000000 ] - [ 0.0005453800000000, 0.0003699300000000, -0.0001672300000000 ] - [ 0.0008536500000000, 0.0000538300000000, 0.0005680800000000 ] - [ 0.0005144800000000, -0.0001232800000000, 0.0007470100000000 ] - [ 0.0001592200000000, 0.0003749100000000, -0.0001164100000000 ] - [ -0.0007794300000000, 0.0000398800000000, -0.0001027700000000 ] - [ 0.0003504600000000, -0.0001103400000000, -0.0001061400000000 ] - [ 0.0020744300000000, -0.0006792600000000, 0.0001862300000000 ] - [ 0.0017294400000000, 0.0012344200000000, 0.0002762800000000 ] - [ 0.0017127500000000, 0.0002196500000000, 0.0001440900000000 ] - [ 0.0020532300000000, -0.0006761300000000, -0.0017894000000000 ] - [ 0.0011402500000000, 0.0000258500000000, -0.0000598300000000 ] - [ 0.0040157300000000, -0.0000041200000000, 0.0018567600000000 ] - [ -0.0003631600000000, -0.0000476300000000, 0.0000471800000000 ] - [ -0.0003171800000000, 0.0000791900000000, -0.0000458700000000 ] - [ 0.0002025100000000, 0.0002313400000000, 0.0001254400000000 ] - [ -0.0001911300000000, -0.0022441200000000, -0.0011613600000000 ] - [ 0.0006589800000000, -0.0002862800000000, -0.0004938300000000 ] - [ 0.0002716700000000, 0.0004583100000000, 0.0004762700000000 ] - [ 0.0007452700000000, -0.0000423200000000, -0.0001257600000000 ] - [ -0.0007523300000000, 0.0001824500000000, -0.0009377700000000 ] - [ 0.0017866000000000, 0.0001789400000000, 0.0007302600000000 ] - [ 0.0102350700000000, 0.0119970800000000, -0.0064774700000000 ] - [ -0.0001070300000000, 0.0001122600000000, 0.0001129000000000 ] - [ -0.0008764300000000, 0.0000663500000000, -0.0001439600000000 ] - [ 0.0005246500000000, 0.0002837100000000, 0.0003705700000000 ] - [ -0.0011077300000000, 0.0004623700000000, 0.0002095500000000 ] - [ 0.0007346400000000, 0.0000523100000000, -0.0002394000000000 ] - [ -0.0021435100000000, -0.0006228700000000, 0.0010843600000000 ] - [ 0.0011095500000000, -0.0002148900000000, 0.0006531300000000 ] - [ -0.0014882300000000, -0.0000623800000000, 0.0001225600000000 ] - [ 0.0004612200000000, -0.0002086000000000, 0.0005839300000000 ] - [ -0.0006285000000000, -0.0006522400000000, -0.0002876800000000 ]- atom: 85 displacement: [ -0.0099997439015081, 0.0000000000000000, -0.0000715674804079 ] forces: - [ -0.0007684900000000, 0.0007503600000000, -0.0004774200000000 ] - [ 0.0003988200000000, 0.0003369000000000, 0.0000947400000000 ] - [ -0.0016705600000000, 0.0002760100000000, -0.0001707600000000 ] - [ 0.0004181500000000, 0.0001432900000000, 0.0000632800000000 ] - [ -0.0009358400000000, 0.0001223800000000, -0.0002430000000000 ] - [ 0.0005530000000000, -0.0001493900000000, 0.0001413300000000 ] - [ -0.0042140600000000, -0.0010168700000000, 0.0022771400000000 ] - [ 0.0004972300000000, -0.0003752100000000, 0.0000769800000000 ] - [ -0.0046320700000000, -0.0053501200000000, -0.0004872100000000 ] - [ 0.0005934500000000, -0.0000516900000000, 0.0002570600000000 ] - [ -0.0004271400000000, -0.0001670300000000, -0.0011384900000000 ] - [ 0.0003796200000000, -0.0001685300000000, 0.0002069100000000 ] - [ -0.0077651700000000, 0.0045132800000000, 0.0007494600000000 ] - [ 0.0009773200000000, 0.0000863500000000, -0.0000564200000000 ] - [ -0.0003720300000000, 0.0000309100000000, -0.0002164800000000 ] - [ 0.0004980800000000, 0.0001417800000000, 0.0002361500000000 ] - [ 0.0005091000000000, -0.0002113600000000, 0.0005251500000000 ] - [ 0.0009672100000000, 0.0004425600000000, 0.0002339800000000 ] - [ 0.0000136400000000, -0.0007987300000000, 0.0001058500000000 ] - [ 0.0004996700000000, 0.0000887000000000, 0.0004628800000000 ] - [ -0.0001021300000000, 0.0000541300000000, -0.0000198900000000 ] - [ 0.0004140300000000, 0.0000211700000000, 0.0003577400000000 ] - [ 0.0008576200000000, -0.0005834000000000, 0.0017917000000000 ] - [ 0.0002920500000000, 0.0003995500000000, -0.0005540500000000 ] - [ -0.0002646500000000, 0.0000424700000000, -0.0003799200000000 ] - [ 0.0006499700000000, -0.0000409800000000, 0.0000262800000000 ] - [ 0.0005893600000000, 0.0006831400000000, 0.0004250900000000 ] - [ 0.0006455100000000, 0.0002076300000000, 0.0004102100000000 ] - [ 0.0011670300000000, 0.0000310900000000, -0.0005996900000000 ] - [ 0.0011576100000000, -0.0005740100000000, 0.0007195500000000 ] - [ 0.0001636100000000, 0.0002006000000000, 0.0002212400000000 ] - [ 0.0000116500000000, -0.0002492400000000, -0.0005999700000000 ] - [ -0.0006153200000000, -0.0000620000000000, 0.0010313600000000 ] - [ 0.0004345100000000, 0.0000095500000000, 0.0004365400000000 ] - [ 0.0009017400000000, 0.0011440500000000, -0.0001930600000000 ] - [ 0.0004488300000000, -0.0003060200000000, -0.0002974600000000 ] - [ 0.0003418400000000, -0.0005629800000000, -0.0010723400000000 ] - [ 0.0002608200000000, -0.0000919700000000, 0.0002648400000000 ] - [ 0.0000041800000000, 0.0001597600000000, 0.0003420800000000 ] - [ -0.0001696800000000, -0.0000384800000000, -0.0000593400000000 ] - [ 0.0003230100000000, -0.0003472000000000, 0.0004406800000000 ] - [ 0.0004320700000000, -0.0003770700000000, 0.0004549800000000 ] - [ 0.0002206700000000, -0.0003746300000000, 0.0000378200000000 ] - [ -0.0001020100000000, 0.0009345700000000, -0.0008833400000000 ] - [ 0.0001902600000000, -0.0002240600000000, -0.0003800900000000 ] - [ -0.0000250400000000, 0.0006958700000000, 0.0000362800000000 ] - [ -0.0005167500000000, -0.0003285900000000, -0.0001911900000000 ] - [ -0.0004800000000000, -0.0000912100000000, -0.0001700700000000 ] - [ 0.0002751700000000, -0.0002173500000000, 0.0002813900000000 ] - [ -0.0001808700000000, 0.0002369400000000, -0.0016106700000000 ] - [ 0.0000345900000000, -0.0000283700000000, 0.0001488800000000 ] - [ -0.0001355700000000, -0.0006645400000000, 0.0006175200000000 ] - [ 0.0004391000000000, 0.0002315600000000, 0.0002209400000000 ] - [ 0.0005950600000000, -0.0013686900000000, -0.0018066100000000 ] - [ 0.0001791600000000, 0.0001217600000000, -0.0001969300000000 ] - [ -0.0004671900000000, -0.0001567600000000, 0.0012009900000000 ] - [ 0.0004334500000000, 0.0004485200000000, 0.0000225400000000 ] - [ -0.0068865300000000, 0.0029963600000000, -0.0013501000000000 ] - [ 0.0003666700000000, 0.0001124000000000, -0.0000822300000000 ] - [ -0.0040442800000000, 0.0001169700000000, 0.0013607200000000 ] - [ 0.0003244300000000, -0.0001420400000000, 0.0001007500000000 ] - [ -0.0005609100000000, 0.0000307700000000, -0.0000160400000000 ] - [ 0.0002282200000000, -0.0003918300000000, 0.0001586000000000 ] - [ -0.0004015700000000, -0.0002237100000000, -0.0002975100000000 ] - [ -0.0376145900000000, -0.0156514500000000, 0.0222620400000000 ] - [ 0.0013632200000000, -0.0004330400000000, 0.0001120800000000 ] - [ -0.0019476900000000, -0.0000609300000000, -0.0018596800000000 ] - [ 0.0010680700000000, 0.0006314000000000, 0.0002389300000000 ] - [ -0.0011867300000000, 0.0001748600000000, 0.0001205900000000 ] - [ 0.0008928500000000, -0.0006169400000000, 0.0003171800000000 ] - [ -0.0003554400000000, 0.0016931600000000, -0.0014382900000000 ] - [ 0.0008232000000000, 0.0004639900000000, 0.0005405800000000 ] - [ 0.0014301400000000, -0.0004231900000000, -0.0000861500000000 ] - [ 0.0058885100000000, -0.0011085300000000, 0.0002420100000000 ] - [ 0.0003601400000000, 0.0007737700000000, 0.0001911100000000 ] - [ -0.0008228000000000, 0.0004526300000000, 0.0000139100000000 ] - [ 0.0005346500000000, -0.0004217400000000, 0.0003757500000000 ] - [ -0.0021221200000000, -0.0010877500000000, -0.0005157300000000 ] - [ 0.0003824300000000, 0.0006334000000000, 0.0004298800000000 ] - [ -0.0013467700000000, -0.0000631400000000, -0.0000239000000000 ] - [ 0.0047844600000000, 0.0001200800000000, 0.0073481900000000 ] - [ -0.0006530200000000, 0.0003117600000000, -0.0005301000000000 ] - [ 0.0021724700000000, -0.0001819800000000, -0.0000259900000000 ] - [ -0.0011414300000000, 0.0001953200000000, -0.0005687600000000 ] - [ 0.0626282700000000, 0.0229612800000000, -0.0351114800000000 ] - [ -0.0010535000000000, 0.0000124600000000, 0.0002782600000000 ] - [ 0.0026191400000000, 0.0007242100000000, 0.0013736200000000 ] - [ -0.0006178300000000, -0.0003753100000000, -0.0005108200000000 ] - [ 0.0065229300000000, 0.0045857000000000, -0.0036496400000000 ] - [ -0.0003892900000000, -0.0000545700000000, -0.0001154400000000 ] - [ 0.0010539800000000, -0.0002480500000000, 0.0003328500000000 ] - [ -0.0010648200000000, -0.0001955000000000, -0.0006336600000000 ] - [ 0.0006093700000000, 0.0000426300000000, 0.0013472300000000 ] - [ -0.0007735700000000, -0.0000586800000000, 0.0000352400000000 ] - [ 0.0004701400000000, 0.0000942200000000, 0.0005371700000000 ] - [ -0.0007936400000000, 0.0000797500000000, 0.0004427800000000 ] - [ 0.0009623600000000, 0.0008877000000000, 0.0030905900000000 ] - [ -0.0003758300000000, -0.0000102600000000, -0.0003527100000000 ] - [ 0.0002630900000000, -0.0013754200000000, -0.0012802800000000 ] - [ -0.0000576100000000, 0.0002091200000000, 0.0002531100000000 ] - [ -0.0007238900000000, -0.0020009800000000, 0.0016337900000000 ] - [ -0.0008360000000000, 0.0004093300000000, -0.0005274700000000 ] - [ 0.0000563800000000, -0.0003463200000000, 0.0013658000000000 ] - [ -0.0006775200000000, 0.0000692200000000, 0.0000998900000000 ] - [ 0.0003740300000000, -0.0003843400000000, 0.0007526800000000 ] - [ 0.0000644300000000, -0.0000693900000000, 0.0000152000000000 ] - [ -0.0002947400000000, 0.0003990900000000, -0.0003227400000000 ] - [ 0.0000546000000000, -0.0001018300000000, 0.0005394800000000 ] - [ 0.0005637100000000, -0.0003170400000000, -0.0003204500000000 ] - [ -0.0005678000000000, -0.0001632800000000, -0.0003189500000000 ] - [ -0.0030069600000000, 0.0006991600000000, -0.0007734600000000 ] - [ -0.0026486900000000, -0.0012172700000000, -0.0008600400000000 ] - [ -0.0012695700000000, 0.0001288600000000, -0.0010739200000000 ] - [ -0.0016038600000000, 0.0010262800000000, 0.0008594700000000 ] - [ -0.0009280800000000, -0.0003001100000000, 0.0004873200000000 ] - [ -0.0037828700000000, -0.0002631500000000, -0.0014234600000000 ] - [ -0.0005509700000000, 0.0000339800000000, -0.0006295900000000 ] - [ -0.0006041400000000, -0.0000931000000000, -0.0005381600000000 ] - [ -0.0012164800000000, -0.0005709600000000, -0.0002625400000000 ] - [ -0.0008189100000000, 0.0019026100000000, 0.0010178200000000 ] - [ -0.0002083700000000, -0.0000613000000000, -0.0004275000000000 ] - [ 0.0001753100000000, -0.0008084000000000, -0.0014027300000000 ] - [ -0.0003140600000000, 0.0000895500000000, -0.0005269400000000 ] - [ 0.0011798800000000, -0.0001374600000000, 0.0002833800000000 ] - [ -0.0012501500000000, 0.0002415200000000, -0.0000908200000000 ] - [ -0.0096471500000000, -0.0114463000000000, 0.0070571600000000 ] - [ -0.0009033900000000, 0.0002232600000000, -0.0002484600000000 ] - [ -0.0001376500000000, 0.0002711000000000, 0.0000075800000000 ] - [ -0.0006265300000000, 0.0003891000000000, 0.0001233800000000 ] - [ 0.0010029600000000, 0.0002076200000000, 0.0002830400000000 ] - [ -0.0003038900000000, -0.0000997800000000, -0.0004113700000000 ] - [ 0.0025670400000000, 0.0005790400000000, -0.0017318000000000 ] - [ -0.0005675100000000, -0.0002041300000000, -0.0000115800000000 ] - [ 0.0020264500000000, -0.0003600300000000, 0.0005153900000000 ] - [ -0.0005622700000000, -0.0004652200000000, -0.0000912900000000 ] - [ 0.0005242600000000, -0.0000176800000000, 0.0007821100000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003305100000000, -0.0011291100000000, 0.0004996900000000 ] - [ 0.0000612200000000, 0.0002660100000000, -0.0000146700000000 ] - [ -0.0004478000000000, -0.0035281000000000, -0.0004859900000000 ] - [ -0.0000093500000000, 0.0000471500000000, -0.0000222800000000 ] - [ 0.0002561900000000, -0.0021946200000000, 0.0005361400000000 ] - [ 0.0001639200000000, -0.0001847200000000, 0.0000546700000000 ] - [ 0.0011167100000000, 0.0044174400000000, -0.0037839300000000 ] - [ 0.0000537600000000, -0.0002380300000000, -0.0000308900000000 ] - [ 0.0059182100000000, 0.0127777100000000, 0.0023141100000000 ] - [ 0.0001689800000000, 0.0000496400000000, 0.0002016500000000 ] - [ -0.0001379800000000, 0.0005283000000000, 0.0005963300000000 ] - [ -0.0000139500000000, -0.0000243400000000, -0.0000210600000000 ] - [ -0.0027837600000000, 0.0056667900000000, 0.0002153400000000 ] - [ 0.0001474900000000, 0.0001303800000000, -0.0002160900000000 ] - [ 0.0002715200000000, -0.0001943200000000, -0.0001014300000000 ] - [ 0.0001309800000000, 0.0001130000000000, 0.0000797100000000 ] - [ 0.0012358500000000, -0.0011607500000000, 0.0006284200000000 ] - [ 0.0004285200000000, 0.0001175200000000, 0.0002458100000000 ] - [ 0.0005585000000000, -0.0012549600000000, 0.0001520000000000 ] - [ 0.0000704500000000, -0.0002114300000000, 0.0002947700000000 ] - [ 0.0002989100000000, -0.0006942800000000, 0.0003207700000000 ] - [ 0.0001222500000000, -0.0000832200000000, 0.0002088900000000 ] - [ 0.0010490300000000, 0.0012549300000000, 0.0002893100000000 ] - [ -0.0005105400000000, 0.0004432100000000, -0.0002893600000000 ] - [ 0.0001441400000000, 0.0004427700000000, 0.0008274100000000 ] - [ 0.0001919400000000, -0.0000138300000000, -0.0002029300000000 ] - [ -0.0002734300000000, -0.0004323200000000, 0.0003670400000000 ] - [ 0.0005712400000000, 0.0001743600000000, 0.0003890800000000 ] - [ -0.0001201800000000, 0.0005450300000000, 0.0004027900000000 ] - [ 0.0007535900000000, -0.0000598900000000, 0.0003255500000000 ] - [ -0.0003307600000000, 0.0004405100000000, -0.0004835600000000 ] - [ 0.0000519600000000, 0.0003738900000000, -0.0001580500000000 ] - [ 0.0000098200000000, 0.0006331300000000, -0.0010050800000000 ] - [ 0.0001609300000000, 0.0001380300000000, 0.0003626600000000 ] - [ -0.0018201600000000, 0.0007440900000000, -0.0003353000000000 ] - [ 0.0002889000000000, 0.0006140600000000, -0.0003815700000000 ] - [ 0.0001627400000000, -0.0001981200000000, -0.0006384700000000 ] - [ -0.0006524600000000, -0.0001771300000000, -0.0005015000000000 ] - [ -0.0006092600000000, -0.0001767600000000, 0.0000592300000000 ] - [ -0.0000576700000000, -0.0001198600000000, 0.0001352200000000 ] - [ 0.0001856900000000, -0.0005177600000000, 0.0001232200000000 ] - [ 0.0005228000000000, -0.0004494700000000, 0.0005157700000000 ] - [ 0.0001352700000000, -0.0002997400000000, -0.0001308200000000 ] - [ -0.0005712400000000, -0.0008637900000000, 0.0001661400000000 ] - [ 0.0000118800000000, -0.0002931100000000, -0.0003777400000000 ] - [ -0.0004694300000000, -0.0006840800000000, -0.0005020500000000 ] - [ -0.0005292600000000, -0.0007330800000000, -0.0000633800000000 ] - [ -0.0006195500000000, -0.0005951000000000, -0.0002862600000000 ] - [ -0.0000410200000000, -0.0000561300000000, -0.0000428200000000 ] - [ -0.0005515600000000, 0.0002307400000000, 0.0006538800000000 ] - [ -0.0005034300000000, -0.0001621800000000, 0.0001461600000000 ] - [ 0.0003256700000000, -0.0009272500000000, 0.0005031500000000 ] - [ -0.0001189900000000, 0.0002713000000000, -0.0000235000000000 ] - [ 0.0015853600000000, 0.0002667400000000, -0.0014575600000000 ] - [ -0.0001873300000000, 0.0002403700000000, -0.0002072300000000 ] - [ 0.0005053700000000, 0.0014600400000000, 0.0006996000000000 ] - [ -0.0001595100000000, 0.0004816800000000, 0.0000078700000000 ] - [ -0.0040870300000000, 0.0066655500000000, -0.0016629200000000 ] - [ -0.0000937700000000, 0.0001873400000000, -0.0000760700000000 ] - [ 0.0003179200000000, 0.0028009200000000, -0.0013562400000000 ] - [ 0.0000077600000000, -0.0002723700000000, 0.0000225700000000 ] - [ -0.0001339400000000, -0.0012090200000000, -0.0002712700000000 ] - [ -0.0000024400000000, -0.0005460600000000, 0.0000444600000000 ] - [ -0.0001729800000000, -0.0009185700000000, 0.0000474700000000 ] - [ 0.0157677700000000, 0.0533910700000000, -0.0392633500000000 ] - [ 0.0003251800000000, -0.0003506200000000, -0.0001040200000000 ] - [ 0.0007629700000000, 0.0018115200000000, -0.0015304100000000 ] - [ 0.0003006900000000, 0.0005019400000000, -0.0001336100000000 ] - [ -0.0001208500000000, -0.0041284300000000, -0.0003166600000000 ] - [ 0.0002408400000000, -0.0008348600000000, 0.0001753000000000 ] - [ -0.0003422200000000, -0.0009782900000000, 0.0016002200000000 ] - [ 0.0002513700000000, 0.0006231300000000, 0.0001970100000000 ] - [ 0.0004261800000000, 0.0005136700000000, 0.0000631300000000 ] - [ -0.0044934200000000, 0.0029038000000000, -0.0025575500000000 ] - [ -0.0000726800000000, 0.0008189600000000, 0.0001922600000000 ] - [ -0.0005475700000000, 0.0011279700000000, -0.0008049500000000 ] - [ -0.0004361700000000, -0.0008157500000000, 0.0000924400000000 ] - [ 0.0006862100000000, -0.0028366000000000, 0.0004290300000000 ] - [ -0.0003036300000000, 0.0005081000000000, 0.0000593100000000 ] - [ -0.0005144600000000, -0.0008982700000000, 0.0016896600000000 ] - [ -0.0004632500000000, -0.0065391400000000, 0.0018192000000000 ] - [ 0.0000442300000000, 0.0001580600000000, -0.0003035200000000 ] - [ -0.0012421200000000, 0.0033151000000000, 0.0005885000000000 ] - [ -0.0001956600000000, 0.0002773900000000, -0.0002994100000000 ] - [ -0.0239958300000000, -0.0964509000000000, 0.0573591300000000 ] - [ -0.0002051200000000, -0.0001596700000000, 0.0003531900000000 ] - [ -0.0007066000000000, 0.0013277900000000, 0.0020779100000000 ] - [ 0.0000787100000000, -0.0002592800000000, -0.0002283500000000 ] - [ -0.0028578400000000, 0.0111666200000000, -0.0145878800000000 ] - [ 0.0005817000000000, -0.0001704400000000, 0.0000578400000000 ] - [ -0.0000913900000000, 0.0008206000000000, -0.0008868100000000 ] - [ -0.0002582100000000, -0.0001328600000000, -0.0003158100000000 ] - [ -0.0001476400000000, 0.0000257700000000, 0.0002063700000000 ] - [ -0.0002515800000000, 0.0000402300000000, 0.0003231300000000 ] - [ -0.0000637400000000, 0.0027523500000000, 0.0002247700000000 ] - [ -0.0002571200000000, 0.0004203800000000, 0.0004708600000000 ] - [ 0.0006570200000000, -0.0022581200000000, 0.0006337200000000 ] - [ 0.0005296300000000, 0.0000213300000000, 0.0001054600000000 ] - [ 0.0019719400000000, 0.0030405100000000, 0.0036262700000000 ] - [ 0.0002674300000000, 0.0000171600000000, 0.0002510700000000 ] - [ 0.0023968100000000, 0.0020787600000000, -0.0024170400000000 ] - [ -0.0002467900000000, 0.0000852800000000, -0.0002767000000000 ] - [ 0.0001384100000000, -0.0001230700000000, -0.0000550900000000 ] - [ -0.0003295200000000, -0.0002359200000000, 0.0004151200000000 ] - [ 0.0008740900000000, 0.0013618300000000, 0.0001419600000000 ] - [ 0.0002730400000000, 0.0002551800000000, 0.0002145200000000 ] - [ -0.0003590900000000, 0.0002350300000000, -0.0003300100000000 ] - [ 0.0003583900000000, 0.0002361500000000, 0.0002402500000000 ] - [ -0.0003070100000000, 0.0019760300000000, 0.0001414100000000 ] - [ -0.0000915800000000, 0.0000718300000000, -0.0002019300000000 ] - [ -0.0024992000000000, 0.0000484600000000, -0.0006009400000000 ] - [ 0.0009651000000000, -0.0000350800000000, 0.0004195200000000 ] - [ 0.0001188700000000, -0.0008940200000000, -0.0003870000000000 ] - [ 0.0010863300000000, -0.0017470500000000, -0.0007250200000000 ] - [ 0.0001409200000000, -0.0009129800000000, 0.0003452500000000 ] - [ -0.0002624500000000, -0.0035336700000000, 0.0007794000000000 ] - [ -0.0006638700000000, -0.0005774600000000, -0.0006600700000000 ] - [ -0.0003431600000000, -0.0006631300000000, -0.0003400300000000 ] - [ -0.0000083000000000, 0.0000082100000000, 0.0000271700000000 ] - [ -0.0018568800000000, 0.0018243100000000, 0.0008995400000000 ] - [ 0.0001118200000000, -0.0000269200000000, -0.0005502900000000 ] - [ 0.0010104400000000, 0.0004671300000000, 0.0006718100000000 ] - [ 0.0002807400000000, 0.0003981000000000, -0.0003009800000000 ] - [ 0.0000542800000000, 0.0017636700000000, 0.0001491900000000 ] - [ -0.0000535300000000, -0.0000278600000000, 0.0001823800000000 ] - [ 0.0129553100000000, 0.0028833600000000, -0.0036943200000000 ] - [ -0.0003218300000000, 0.0003927500000000, 0.0000492100000000 ] - [ -0.0008031500000000, 0.0013855000000000, -0.0005208500000000 ] - [ -0.0000206700000000, 0.0006275400000000, 0.0002063300000000 ] - [ 0.0001118400000000, 0.0024017300000000, -0.0000200600000000 ] - [ 0.0002911300000000, -0.0001317200000000, -0.0002869500000000 ] - [ -0.0003648300000000, 0.0019213300000000, -0.0033067900000000 ] - [ 0.0001255500000000, -0.0003248900000000, 0.0002150400000000 ] - [ 0.0003528600000000, -0.0010989200000000, 0.0010674900000000 ] - [ 0.0000983500000000, -0.0004379200000000, 0.0003564000000000 ] - [ -0.0001833500000000, -0.0003409700000000, -0.0004182200000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004140000000000, 0.0018364600000000, -0.0005349000000000 ] - [ 0.0000239100000000, 0.0004366400000000, -0.0000210400000000 ] - [ 0.0004330700000000, 0.0037851100000000, 0.0004493000000000 ] - [ -0.0000024600000000, 0.0002267000000000, -0.0000155400000000 ] - [ 0.0000734100000000, 0.0019150400000000, -0.0003977200000000 ] - [ 0.0001669700000000, -0.0001053100000000, 0.0000914300000000 ] - [ -0.0010780900000000, -0.0051605500000000, 0.0038851500000000 ] - [ 0.0000312700000000, -0.0004650400000000, -0.0000047700000000 ] - [ -0.0060075400000000, -0.0134698000000000, -0.0021253900000000 ] - [ 0.0001032700000000, -0.0001301900000000, 0.0002107500000000 ] - [ 0.0001287600000000, -0.0008074300000000, -0.0006398700000000 ] - [ 0.0000021900000000, -0.0002497700000000, -0.0000167800000000 ] - [ 0.0030999500000000, -0.0054489200000000, -0.0005023100000000 ] - [ 0.0003565200000000, -0.0000099600000000, -0.0001382300000000 ] - [ 0.0000576000000000, 0.0004818100000000, 0.0002495700000000 ] - [ 0.0002002400000000, 0.0001768600000000, 0.0000663600000000 ] - [ -0.0001106000000000, 0.0017147000000000, -0.0001413800000000 ] - [ 0.0006979200000000, 0.0004340800000000, 0.0002408100000000 ] - [ -0.0003006300000000, 0.0012082200000000, 0.0004792300000000 ] - [ 0.0001870900000000, 0.0001631200000000, 0.0003380500000000 ] - [ -0.0000274200000000, 0.0007756100000000, 0.0000914100000000 ] - [ 0.0001499500000000, 0.0001635800000000, 0.0002033800000000 ] - [ -0.0016921500000000, -0.0005596300000000, -0.0010308000000000 ] - [ -0.0001228400000000, 0.0002454000000000, -0.0004459500000000 ] - [ 0.0003540000000000, -0.0005573700000000, -0.0011892100000000 ] - [ 0.0003115500000000, -0.0001065800000000, -0.0001517200000000 ] - [ 0.0009138500000000, 0.0011244000000000, 0.0003664000000000 ] - [ 0.0000627500000000, 0.0005144000000000, 0.0003464500000000 ] - [ 0.0012450300000000, -0.0010990500000000, 0.0000822200000000 ] - [ 0.0003720600000000, -0.0004927100000000, 0.0001609800000000 ] - [ 0.0000729300000000, -0.0004925200000000, -0.0001486700000000 ] - [ -0.0003073600000000, -0.0004245100000000, -0.0004750300000000 ] - [ 0.0002391900000000, -0.0006001400000000, 0.0016377000000000 ] - [ 0.0000967300000000, -0.0000896500000000, 0.0002699100000000 ] - [ 0.0006986300000000, -0.0001994000000000, -0.0001514200000000 ] - [ -0.0014180900000000, -0.0000664600000000, -0.0001027100000000 ] - [ -0.0007980600000000, -0.0004900800000000, -0.0000985600000000 ] - [ 0.0000172700000000, -0.0005109100000000, -0.0002330700000000 ] - [ 0.0001087900000000, 0.0002974800000000, 0.0002966800000000 ] - [ -0.0004455900000000, 0.0002394500000000, 0.0002202600000000 ] - [ 0.0004488000000000, -0.0001724700000000, 0.0006139300000000 ] - [ 0.0001117600000000, -0.0002392500000000, 0.0002190600000000 ] - [ -0.0004068100000000, 0.0002208500000000, -0.0002813900000000 ] - [ 0.0002999300000000, 0.0007877900000000, -0.0005786000000000 ] - [ -0.0002686300000000, 0.0003427400000000, -0.0002548400000000 ] - [ 0.0002116500000000, 0.0007347900000000, -0.0001297800000000 ] - [ -0.0005955800000000, 0.0001837300000000, -0.0004217000000000 ] - [ -0.0005060200000000, 0.0000453700000000, -0.0002003700000000 ] - [ -0.0002899200000000, -0.0002338700000000, -0.0001032600000000 ] - [ 0.0002284200000000, -0.0005160800000000, -0.0008040500000000 ] - [ 0.0000015000000000, 0.0000418500000000, 0.0002086500000000 ] - [ -0.0008308000000000, 0.0008101200000000, -0.0001506500000000 ] - [ 0.0001315700000000, 0.0000010800000000, 0.0000618300000000 ] - [ -0.0015703200000000, -0.0000095400000000, 0.0015032800000000 ] - [ -0.0000850000000000, -0.0001613600000000, -0.0002052000000000 ] - [ -0.0007747600000000, -0.0013839400000000, -0.0011112200000000 ] - [ 0.0000752900000000, 0.0002197600000000, 0.0000280900000000 ] - [ 0.0042506000000000, -0.0061540000000000, 0.0017758900000000 ] - [ -0.0002369600000000, 0.0001028100000000, -0.0000697700000000 ] - [ -0.0005723700000000, -0.0024321500000000, 0.0013040200000000 ] - [ 0.0000045100000000, -0.0000008500000000, 0.0000156700000000 ] - [ 0.0001457300000000, 0.0009369600000000, 0.0003079400000000 ] - [ -0.0000817800000000, -0.0001554700000000, -0.0000081500000000 ] - [ 0.0000878200000000, 0.0002184700000000, -0.0000119000000000 ] - [ -0.0144862200000000, -0.0537037000000000, 0.0370872700000000 ] - [ 0.0001339700000000, -0.0006667600000000, -0.0001900600000000 ] - [ -0.0003024800000000, -0.0007865800000000, 0.0012346600000000 ] - [ 0.0001581400000000, 0.0005154200000000, -0.0001609500000000 ] - [ 0.0005258800000000, 0.0028327200000000, 0.0006491200000000 ] - [ 0.0001654900000000, -0.0004773700000000, 0.0001506200000000 ] - [ 0.0007497800000000, 0.0022917100000000, -0.0012811100000000 ] - [ 0.0001546200000000, 0.0006885000000000, 0.0001282400000000 ] - [ -0.0008327400000000, -0.0018253400000000, -0.0003869600000000 ] - [ 0.0041080100000000, -0.0042163000000000, 0.0022362900000000 ] - [ -0.0003342900000000, 0.0004955200000000, -0.0005181100000000 ] - [ 0.0001456000000000, 0.0001851300000000, 0.0004771700000000 ] - [ -0.0000205200000000, -0.0002000500000000, 0.0002017600000000 ] - [ -0.0011534100000000, 0.0018261600000000, -0.0001353400000000 ] - [ -0.0001542700000000, 0.0005082000000000, 0.0002352000000000 ] - [ 0.0000561200000000, 0.0019143300000000, -0.0014015200000000 ] - [ 0.0005285700000000, 0.0072145100000000, -0.0021879800000000 ] - [ 0.0000569500000000, 0.0005157800000000, -0.0001891400000000 ] - [ 0.0007115900000000, -0.0029085600000000, -0.0012359500000000 ] - [ -0.0003459600000000, 0.0001423800000000, -0.0003415200000000 ] - [ 0.0230425600000000, 0.0964859800000000, -0.0549055300000000 ] - [ -0.0002261900000000, 0.0002068900000000, 0.0002986800000000 ] - [ 0.0008043200000000, -0.0020052400000000, -0.0025651700000000 ] - [ 0.0000223600000000, -0.0004151400000000, -0.0002639100000000 ] - [ 0.0038279000000000, -0.0114536500000000, 0.0145799700000000 ] - [ 0.0004295700000000, -0.0001661700000000, 0.0000784500000000 ] - [ -0.0004494200000000, -0.0012410100000000, 0.0002494700000000 ] - [ -0.0002830000000000, -0.0002868900000000, -0.0003251300000000 ] - [ -0.0002831800000000, -0.0000800600000000, 0.0004471800000000 ] - [ -0.0001797200000000, -0.0000875400000000, 0.0003288600000000 ] - [ -0.0003879500000000, -0.0024108800000000, 0.0007000000000000 ] - [ -0.0001930100000000, -0.0000728400000000, 0.0004524200000000 ] - [ 0.0003592500000000, 0.0025922500000000, -0.0004984400000000 ] - [ 0.0004818200000000, 0.0003147000000000, 0.0000305100000000 ] - [ -0.0010645800000000, -0.0030410000000000, -0.0030758500000000 ] - [ 0.0006514900000000, -0.0000016400000000, 0.0003317900000000 ] - [ -0.0026217300000000, -0.0018027600000000, 0.0020087300000000 ] - [ 0.0000304900000000, 0.0001888200000000, -0.0001470400000000 ] - [ -0.0005885800000000, -0.0002189700000000, 0.0009850900000000 ] - [ -0.0001208800000000, -0.0001111700000000, 0.0005089200000000 ] - [ 0.0000440900000000, -0.0013781400000000, 0.0004433400000000 ] - [ 0.0006466800000000, -0.0002707100000000, 0.0003691200000000 ] - [ 0.0005755500000000, 0.0000352200000000, 0.0007542200000000 ] - [ -0.0001444600000000, 0.0000351600000000, 0.0001857000000000 ] - [ 0.0000925000000000, -0.0022546500000000, -0.0005698700000000 ] - [ -0.0001252100000000, -0.0003458600000000, -0.0002221900000000 ] - [ 0.0015807300000000, -0.0000352900000000, 0.0000165100000000 ] - [ -0.0018875400000000, 0.0000476400000000, -0.0010042900000000 ] - [ 0.0003348000000000, 0.0012436600000000, -0.0005371300000000 ] - [ -0.0006418400000000, 0.0020965800000000, -0.0002005700000000 ] - [ 0.0000758400000000, 0.0006407600000000, 0.0000789500000000 ] - [ 0.0004697300000000, 0.0032705500000000, -0.0003611200000000 ] - [ -0.0002514400000000, 0.0005619400000000, 0.0000788400000000 ] - [ -0.0005769200000000, 0.0006483000000000, -0.0002427400000000 ] - [ -0.0010072700000000, -0.0003454700000000, -0.0001638400000000 ] - [ 0.0008515400000000, -0.0021637100000000, -0.0010418700000000 ] - [ 0.0003388500000000, -0.0003233400000000, -0.0003730600000000 ] - [ -0.0005598400000000, -0.0008153900000000, -0.0015933200000000 ] - [ 0.0001489300000000, -0.0003523900000000, -0.0003507900000000 ] - [ 0.0003807300000000, -0.0017212400000000, -0.0008033600000000 ] - [ 0.0005948100000000, 0.0004470300000000, 0.0004583400000000 ] - [ -0.0123637700000000, -0.0024927000000000, 0.0043037400000000 ] - [ -0.0006912900000000, -0.0000570700000000, -0.0001865100000000 ] - [ -0.0002093000000000, -0.0010496200000000, 0.0003865100000000 ] - [ -0.0000813000000000, 0.0000440000000000, 0.0002876500000000 ] - [ -0.0002095900000000, -0.0017331600000000, 0.0005148500000000 ] - [ 0.0001392000000000, 0.0000853600000000, -0.0003645900000000 ] - [ 0.0007939300000000, -0.0019671800000000, 0.0026661500000000 ] - [ 0.0004160000000000, -0.0000950400000000, 0.0004261200000000 ] - [ 0.0001837500000000, 0.0006754900000000, -0.0004256200000000 ] - [ -0.0002003800000000, -0.0002340500000000, 0.0001361700000000 ] - [ 0.0000794500000000, -0.0003264700000000, 0.0009155000000000 ]- atom: 85 displacement: [ -0.0030577532044204, 0.0000000000000000, 0.0095210369887348 ] forces: - [ 0.0002560700000000, 0.0014436700000000, -0.0004837900000000 ] - [ 0.0000571000000000, 0.0003496100000000, -0.0000041200000000 ] - [ -0.0003342200000000, 0.0004140700000000, 0.0013905500000000 ] - [ 0.0000836300000000, 0.0001444800000000, -0.0000163600000000 ] - [ -0.0000277700000000, 0.0005773300000000, 0.0008637300000000 ] - [ 0.0002169100000000, -0.0001367000000000, 0.0000700200000000 ] - [ -0.0034919100000000, -0.0028148800000000, 0.0106075900000000 ] - [ 0.0000647600000000, -0.0003765300000000, -0.0000168400000000 ] - [ -0.0001530500000000, 0.0013263700000000, 0.0030625700000000 ] - [ 0.0002347500000000, -0.0000745200000000, 0.0002170900000000 ] - [ 0.0008298700000000, -0.0005295400000000, -0.0029023600000000 ] - [ -0.0000509600000000, -0.0001494000000000, -0.0000138800000000 ] - [ -0.0039366500000000, 0.0028629800000000, 0.0040045400000000 ] - [ 0.0003952700000000, 0.0000417400000000, -0.0000911400000000 ] - [ 0.0003387400000000, -0.0001234500000000, -0.0004552800000000 ] - [ 0.0001387400000000, 0.0001494400000000, 0.0000855900000000 ] - [ -0.0000162800000000, 0.0008653700000000, 0.0003764600000000 ] - [ 0.0007140000000000, 0.0003436300000000, 0.0001462200000000 ] - [ 0.0001512500000000, -0.0005644600000000, 0.0006474300000000 ] - [ 0.0001800400000000, 0.0000486500000000, 0.0003954900000000 ] - [ 0.0003190200000000, 0.0001199300000000, -0.0003237400000000 ] - [ 0.0000768900000000, 0.0000445300000000, 0.0002168500000000 ] - [ -0.0020599700000000, 0.0004296100000000, 0.0000313500000000 ] - [ 0.0000426600000000, 0.0003834900000000, -0.0005922000000000 ] - [ -0.0000586100000000, 0.0006521300000000, -0.0024342700000000 ] - [ 0.0001998900000000, -0.0000614800000000, -0.0002277000000000 ] - [ 0.0002955900000000, 0.0005007900000000, 0.0008235700000000 ] - [ 0.0003686100000000, 0.0003581400000000, 0.0004445300000000 ] - [ 0.0019494300000000, -0.0000659700000000, -0.0006671700000000 ] - [ 0.0003704000000000, -0.0002972000000000, 0.0003172800000000 ] - [ -0.0005611100000000, -0.0001712600000000, -0.0003135400000000 ] - [ 0.0002516700000000, -0.0001505700000000, -0.0009023000000000 ] - [ -0.0010286000000000, -0.0017869500000000, -0.0013713800000000 ] - [ 0.0001317000000000, 0.0000199800000000, 0.0002324300000000 ] - [ 0.0000110400000000, 0.0005250900000000, 0.0003310000000000 ] - [ -0.0004633000000000, 0.0000969000000000, 0.0000871500000000 ] - [ 0.0004472200000000, -0.0005509000000000, -0.0010401500000000 ] - [ -0.0006890500000000, -0.0003787000000000, -0.0001840500000000 ] - [ -0.0004020100000000, 0.0000635100000000, 0.0002491400000000 ] - [ -0.0000675600000000, -0.0000225400000000, -0.0000314600000000 ] - [ 0.0002669300000000, -0.0005095400000000, 0.0000192000000000 ] - [ 0.0001856000000000, -0.0003130000000000, 0.0002272200000000 ] - [ -0.0002481900000000, -0.0001441000000000, 0.0000137300000000 ] - [ 0.0002833300000000, 0.0006788900000000, -0.0005007300000000 ] - [ 0.0000690300000000, -0.0000780600000000, -0.0003633700000000 ] - [ -0.0002932100000000, 0.0000575500000000, 0.0002415500000000 ] - [ -0.0006362100000000, -0.0001475300000000, -0.0005481100000000 ] - [ -0.0006354300000000, -0.0002745100000000, -0.0003604900000000 ] - [ -0.0002900700000000, -0.0001650700000000, 0.0000377400000000 ] - [ 0.0014005800000000, 0.0006427000000000, -0.0018487900000000 ] - [ -0.0000545000000000, -0.0000265900000000, 0.0001004100000000 ] - [ -0.0005689200000000, 0.0001336900000000, 0.0004378300000000 ] - [ 0.0000137500000000, 0.0001367300000000, 0.0001114000000000 ] - [ 0.0022348100000000, -0.0023174000000000, -0.0003550700000000 ] - [ -0.0000546700000000, -0.0000366300000000, -0.0004361200000000 ] - [ -0.0018371200000000, 0.0000523000000000, -0.0017659700000000 ] - [ 0.0000987400000000, 0.0003709400000000, 0.0000216500000000 ] - [ -0.0009056600000000, 0.0001830200000000, 0.0028716600000000 ] - [ -0.0000058900000000, 0.0001211900000000, -0.0001777900000000 ] - [ -0.0008784200000000, 0.0007209400000000, 0.0027741200000000 ] - [ 0.0000444700000000, -0.0001168500000000, -0.0000357700000000 ] - [ -0.0001260700000000, -0.0003897000000000, 0.0000514400000000 ] - [ -0.0001190700000000, -0.0003171300000000, 0.0000199500000000 ] - [ 0.0001299900000000, -0.0002526600000000, -0.0004717400000000 ] - [ -0.0323800300000000, -0.0401647300000000, 0.0859803900000000 ] - [ 0.0004793000000000, -0.0004854800000000, -0.0001054900000000 ] - [ 0.0003905200000000, -0.0014036600000000, -0.0032335000000000 ] - [ 0.0001131900000000, 0.0005323300000000, -0.0001404600000000 ] - [ -0.0000073200000000, -0.0007737900000000, 0.0003899900000000 ] - [ 0.0003098200000000, -0.0006564700000000, 0.0000948700000000 ] - [ 0.0009713000000000, 0.0016407300000000, -0.0016848900000000 ] - [ 0.0001262900000000, 0.0006497200000000, 0.0002511600000000 ] - [ 0.0003076700000000, -0.0001712200000000, 0.0004468400000000 ] - [ 0.0037159700000000, -0.0026950300000000, 0.0031818800000000 ] - [ -0.0005143000000000, 0.0009901800000000, -0.0006825800000000 ] - [ -0.0008715600000000, 0.0002352300000000, -0.0014463800000000 ] - [ -0.0001102700000000, -0.0004219800000000, 0.0002770700000000 ] - [ -0.0000048300000000, -0.0005487700000000, 0.0006013200000000 ] - [ -0.0002517800000000, 0.0005300100000000, 0.0000245700000000 ] - [ 0.0001529500000000, 0.0012767400000000, -0.0018311400000000 ] - [ -0.0060420200000000, -0.0000569200000000, 0.0216790100000000 ] - [ 0.0000117600000000, 0.0003376200000000, -0.0002659900000000 ] - [ -0.0001687200000000, 0.0007740200000000, -0.0007318000000000 ] - [ -0.0003975100000000, 0.0001987500000000, -0.0003572100000000 ] - [ 0.0528400000000000, 0.0588122300000000, -0.1301825800000000 ] - [ -0.0004263100000000, 0.0000463000000000, 0.0003298100000000 ] - [ -0.0000644300000000, 0.0021720000000000, 0.0010304100000000 ] - [ -0.0000126000000000, -0.0003562700000000, -0.0002728700000000 ] - [ 0.0046824800000000, -0.0113691600000000, 0.0028758500000000 ] - [ 0.0002835600000000, -0.0001507800000000, 0.0000759300000000 ] - [ -0.0004776800000000, -0.0006540900000000, 0.0003929500000000 ] - [ -0.0002144900000000, -0.0002187100000000, -0.0003036400000000 ] - [ -0.0009505700000000, 0.0001169300000000, 0.0027767000000000 ] - [ -0.0001089800000000, -0.0000315400000000, 0.0002989800000000 ] - [ 0.0001420900000000, -0.0001446500000000, -0.0003862000000000 ] - [ -0.0003534900000000, 0.0001155600000000, 0.0004991000000000 ] - [ -0.0016742300000000, 0.0019947900000000, 0.0043458700000000 ] - [ 0.0005982700000000, 0.0002082900000000, 0.0000230900000000 ] - [ 0.0008265400000000, 0.0003804300000000, -0.0002124600000000 ] - [ 0.0003430600000000, 0.0000708600000000, 0.0003765100000000 ] - [ -0.0023283900000000, -0.0029500500000000, -0.0005075400000000 ] - [ -0.0001433800000000, 0.0001740700000000, -0.0003461600000000 ] - [ -0.0008627900000000, 0.0001240300000000, 0.0024020200000000 ] - [ -0.0000912200000000, -0.0001850000000000, 0.0004386000000000 ] - [ -0.0000352300000000, -0.0005059100000000, 0.0007562000000000 ] - [ 0.0006068200000000, -0.0000527700000000, 0.0002093500000000 ] - [ 0.0006170700000000, 0.0000063600000000, 0.0005158300000000 ] - [ -0.0003202200000000, 0.0001557600000000, 0.0012588100000000 ] - [ 0.0000045700000000, -0.0005987800000000, 0.0001068100000000 ] - [ -0.0000914800000000, -0.0001399600000000, -0.0000908500000000 ] - [ -0.0020384600000000, 0.0003876800000000, -0.0011762600000000 ] - [ -0.0018031100000000, -0.0002522500000000, -0.0013592000000000 ] - [ 0.0004348100000000, 0.0002192800000000, -0.0012675800000000 ] - [ -0.0016345800000000, 0.0008124900000000, -0.0008064700000000 ] - [ -0.0005083800000000, -0.0001630300000000, 0.0000931900000000 ] - [ 0.0012361700000000, 0.0005288700000000, -0.0018966000000000 ] - [ 0.0002487100000000, -0.0001287000000000, 0.0005226400000000 ] - [ -0.0001157000000000, 0.0001250200000000, 0.0004580800000000 ] - [ -0.0007023100000000, -0.0003146700000000, -0.0002554600000000 ] - [ -0.0005614400000000, -0.0000927100000000, -0.0010307000000000 ] - [ 0.0000321500000000, -0.0002548400000000, 0.0000693800000000 ] - [ 0.0011078800000000, 0.0004453900000000, 0.0003993600000000 ] - [ 0.0002458500000000, 0.0000198400000000, -0.0004660600000000 ] - [ -0.0000723100000000, -0.0004798000000000, -0.0002698000000000 ] - [ -0.0001473300000000, 0.0001440600000000, 0.0000703600000000 ] - [ -0.0092679400000000, -0.0070710100000000, -0.0011371900000000 ] - [ -0.0004631000000000, 0.0001214800000000, 0.0000601000000000 ] - [ -0.0003709500000000, -0.0002447700000000, 0.0006425800000000 ] - [ -0.0002021600000000, 0.0003424200000000, 0.0001925100000000 ] - [ -0.0000127500000000, -0.0000139200000000, -0.0004669600000000 ] - [ 0.0001368800000000, -0.0000097900000000, -0.0002016000000000 ] - [ 0.0022807700000000, -0.0026976500000000, 0.0008850400000000 ] - [ 0.0005040500000000, -0.0002281800000000, 0.0004947000000000 ] - [ 0.0007156600000000, 0.0007018700000000, 0.0027822800000000 ] - [ 0.0000773400000000, -0.0002756400000000, 0.0003148700000000 ] - [ -0.0005971500000000, 0.0000557800000000, 0.0018978200000000 ]- atom: 85 displacement: [ 0.0030577532044204, 0.0000000000000000, -0.0095210369887348 ] forces: - [ -0.0001693100000000, -0.0007400600000000, 0.0004438600000000 ] - [ 0.0000273800000000, 0.0003529200000000, -0.0000318000000000 ] - [ 0.0003230500000000, -0.0001279900000000, -0.0014236400000000 ] - [ -0.0000956900000000, 0.0001293100000000, -0.0000216100000000 ] - [ 0.0003562800000000, -0.0008669500000000, -0.0007085500000000 ] - [ 0.0001140500000000, -0.0001530800000000, 0.0000759000000000 ] - [ 0.0033812700000000, 0.0018342300000000, -0.0100811700000000 ] - [ 0.0000205700000000, -0.0003258800000000, -0.0000189300000000 ] - [ 0.0004434200000000, -0.0013625800000000, -0.0026294300000000 ] - [ 0.0000376600000000, -0.0000055100000000, 0.0001948100000000 ] - [ -0.0008396300000000, 0.0002577700000000, 0.0028461400000000 ] - [ 0.0000388600000000, -0.0001240100000000, -0.0000241500000000 ] - [ 0.0043168800000000, -0.0026380600000000, -0.0043388600000000 ] - [ 0.0001089900000000, 0.0000790600000000, -0.0002636800000000 ] - [ -0.0000063900000000, 0.0004180600000000, 0.0005960400000000 ] - [ 0.0001916500000000, 0.0001407500000000, 0.0000601400000000 ] - [ 0.0011387900000000, -0.0003103900000000, 0.0001090200000000 ] - [ 0.0004120300000000, 0.0002073600000000, 0.0003394100000000 ] - [ 0.0001053000000000, 0.0005158400000000, -0.0000125500000000 ] - [ 0.0000778100000000, -0.0000970500000000, 0.0002372600000000 ] - [ -0.0000461800000000, -0.0000392300000000, 0.0007343100000000 ] - [ 0.0001948400000000, 0.0000359400000000, 0.0001955100000000 ] - [ 0.0014188800000000, 0.0002620400000000, -0.0007763600000000 ] - [ -0.0006775900000000, 0.0003051800000000, -0.0001450900000000 ] - [ 0.0005672100000000, -0.0007769600000000, 0.0020741400000000 ] - [ 0.0003023800000000, -0.0000590500000000, -0.0001272200000000 ] - [ 0.0003374600000000, 0.0001872300000000, -0.0000845700000000 ] - [ 0.0002674800000000, 0.0003302400000000, 0.0002907700000000 ] - [ -0.0008086400000000, -0.0004842900000000, 0.0011555000000000 ] - [ 0.0007557300000000, -0.0002544200000000, 0.0001711500000000 ] - [ 0.0003039900000000, 0.0001222800000000, -0.0003221100000000 ] - [ -0.0005120500000000, 0.0001017300000000, 0.0002665100000000 ] - [ 0.0012955300000000, 0.0018443700000000, 0.0019989200000000 ] - [ 0.0001247800000000, 0.0000291300000000, 0.0003997500000000 ] - [ -0.0011403500000000, 0.0000232900000000, -0.0008116400000000 ] - [ -0.0006585400000000, 0.0004533500000000, -0.0005757000000000 ] - [ -0.0010786000000000, -0.0001394600000000, 0.0003069900000000 ] - [ 0.0000536600000000, -0.0003089200000000, -0.0005489700000000 ] - [ -0.0001021600000000, 0.0000567700000000, 0.0001052300000000 ] - [ -0.0004354600000000, 0.0001442200000000, 0.0003832600000000 ] - [ 0.0003704000000000, -0.0001770500000000, 0.0007136100000000 ] - [ 0.0004475700000000, -0.0003751600000000, 0.0005077600000000 ] - [ -0.0000245000000000, 0.0000645300000000, -0.0004255300000000 ] - [ -0.0005533300000000, -0.0007568800000000, 0.0000856900000000 ] - [ -0.0003254300000000, 0.0001268500000000, -0.0002682100000000 ] - [ 0.0000355000000000, -0.0000081100000000, -0.0008724200000000 ] - [ -0.0004888500000000, -0.0004030700000000, 0.0000600200000000 ] - [ -0.0004910700000000, -0.0002756700000000, -0.0001260800000000 ] - [ -0.0000411500000000, -0.0001245900000000, -0.0001843100000000 ] - [ -0.0017340600000000, -0.0009362400000000, 0.0016963500000000 ] - [ -0.0004467900000000, -0.0000930300000000, 0.0002548300000000 ] - [ 0.0000656600000000, -0.0002566600000000, -0.0000787800000000 ] - [ -0.0000021000000000, 0.0001365900000000, -0.0000732400000000 ] - [ -0.0022305100000000, 0.0026038300000000, 0.0003843500000000 ] - [ -0.0002152900000000, 0.0001169200000000, 0.0000239500000000 ] - [ 0.0015485100000000, 0.0000270000000000, 0.0013526200000000 ] - [ -0.0001829800000000, 0.0003314300000000, 0.0000148600000000 ] - [ 0.0007868200000000, 0.0005444500000000, -0.0028454600000000 ] - [ -0.0003241200000000, 0.0001690800000000, 0.0000322800000000 ] - [ 0.0005862500000000, -0.0003755000000000, -0.0028645100000000 ] - [ -0.0000320600000000, -0.0001566200000000, 0.0000736900000000 ] - [ 0.0001374800000000, 0.0001170000000000, -0.0000115100000000 ] - [ 0.0000343200000000, -0.0003848500000000, 0.0000156800000000 ] - [ -0.0002145300000000, -0.0004496000000000, 0.0005056000000000 ] - [ 0.0348871200000000, 0.0428565400000000, -0.0908856900000000 ] - [ -0.0000207100000000, -0.0005312300000000, -0.0001890600000000 ] - [ 0.0000640900000000, 0.0023940700000000, 0.0029325900000000 ] - [ 0.0003464100000000, 0.0004850500000000, -0.0001541700000000 ] - [ 0.0004133100000000, -0.0005476900000000, -0.0000671600000000 ] - [ 0.0000957500000000, -0.0006554900000000, 0.0002300100000000 ] - [ -0.0005598900000000, -0.0003155500000000, 0.0020108100000000 ] - [ 0.0002796000000000, 0.0006623100000000, 0.0000752000000000 ] - [ -0.0007154900000000, -0.0011397500000000, -0.0007664600000000 ] - [ -0.0040995700000000, 0.0013802000000000, -0.0035101300000000 ] - [ 0.0001109800000000, 0.0003198700000000, 0.0003546600000000 ] - [ 0.0004555100000000, 0.0010715600000000, 0.0011193200000000 ] - [ -0.0003480800000000, -0.0005941800000000, 0.0000179100000000 ] - [ -0.0004511500000000, -0.0004731100000000, -0.0003064500000000 ] - [ -0.0002064900000000, 0.0004872700000000, 0.0002683700000000 ] - [ -0.0006157000000000, -0.0002495400000000, 0.0021217200000000 ] - [ 0.0062136900000000, 0.0007369400000000, -0.0224401200000000 ] - [ 0.0000902400000000, 0.0003362100000000, -0.0002263300000000 ] - [ -0.0003780600000000, -0.0003456600000000, 0.0000964100000000 ] - [ -0.0001429500000000, 0.0002201400000000, -0.0002836600000000 ] - [ -0.0550620400000000, -0.0625137800000000, 0.1349960900000000 ] - [ -0.0000052900000000, 0.0000007300000000, 0.0003221300000000 ] - [ 0.0001683400000000, -0.0028360300000000, -0.0015351500000000 ] - [ 0.0001130400000000, -0.0003176000000000, -0.0002194100000000 ] - [ -0.0036895200000000, 0.0110406400000000, -0.0026742000000000 ] - [ 0.0007290100000000, -0.0001857500000000, 0.0000609400000000 ] - [ -0.0000625000000000, 0.0002292800000000, -0.0010333900000000 ] - [ -0.0003265600000000, -0.0001995700000000, -0.0003371700000000 ] - [ 0.0005195900000000, -0.0001536700000000, -0.0021191300000000 ] - [ -0.0003221000000000, -0.0000147800000000, 0.0003530400000000 ] - [ -0.0005899700000000, 0.0004941500000000, 0.0013055400000000 ] - [ -0.0000973400000000, 0.0002331400000000, 0.0004249200000000 ] - [ 0.0026693400000000, -0.0016316500000000, -0.0042001500000000 ] - [ 0.0004132100000000, 0.0001280200000000, 0.0001124000000000 ] - [ 0.0000984500000000, -0.0003564200000000, 0.0008159700000000 ] - [ 0.0005762400000000, -0.0000557000000000, 0.0002078000000000 ] - [ 0.0020979200000000, 0.0032049800000000, 0.0000593000000000 ] - [ -0.0000743200000000, 0.0001003300000000, -0.0000787600000000 ] - [ 0.0004040100000000, -0.0004819100000000, -0.0014764900000000 ] - [ -0.0003585100000000, -0.0001621300000000, 0.0004841000000000 ] - [ 0.0009509700000000, 0.0004862100000000, -0.0001742700000000 ] - [ 0.0003126100000000, 0.0000379300000000, 0.0003730300000000 ] - [ -0.0003991600000000, 0.0002671900000000, -0.0000877400000000 ] - [ 0.0005397200000000, 0.0001214700000000, -0.0008302600000000 ] - [ -0.0002224200000000, 0.0003264000000000, -0.0005251600000000 ] - [ -0.0001243500000000, -0.0001333000000000, -0.0003327200000000 ] - [ 0.0011188200000000, -0.0003742900000000, 0.0005891600000000 ] - [ 0.0008794600000000, 0.0002639600000000, 0.0007752000000000 ] - [ 0.0000225700000000, 0.0001287600000000, 0.0003418700000000 ] - [ 0.0020822300000000, -0.0004590300000000, -0.0001071400000000 ] - [ 0.0007228600000000, -0.0001092500000000, 0.0003257400000000 ] - [ -0.0010364900000000, -0.0008066200000000, 0.0023115300000000 ] - [ -0.0011736600000000, 0.0001163700000000, -0.0011030500000000 ] - [ -0.0007983400000000, -0.0001384500000000, -0.0010398900000000 ] - [ -0.0003108700000000, -0.0000224200000000, 0.0001175400000000 ] - [ -0.0004565900000000, -0.0002373100000000, 0.0009032100000000 ] - [ 0.0004159200000000, -0.0000922300000000, -0.0009918300000000 ] - [ -0.0006547600000000, -0.0007930700000000, -0.0013269700000000 ] - [ 0.0001860400000000, 0.0000271800000000, -0.0001862100000000 ] - [ 0.0005006200000000, 0.0005271300000000, -0.0003775100000000 ] - [ 0.0006890600000000, 0.0002742700000000, 0.0005691700000000 ] - [ 0.0097962600000000, 0.0075112000000000, 0.0018232400000000 ] - [ -0.0005497000000000, 0.0002149000000000, -0.0001954700000000 ] - [ -0.0006386800000000, 0.0005776600000000, -0.0007777800000000 ] - [ 0.0001005300000000, 0.0003303900000000, 0.0003002400000000 ] - [ -0.0000889400000000, 0.0006872900000000, 0.0009562400000000 ] - [ 0.0002926900000000, -0.0000372800000000, -0.0004495600000000 ] - [ -0.0018233000000000, 0.0026348800000000, -0.0015480900000000 ] - [ 0.0000355200000000, -0.0001895100000000, 0.0001462400000000 ] - [ -0.0001637200000000, -0.0011081600000000, -0.0021352700000000 ] - [ -0.0001781800000000, -0.0003973400000000, 0.0001790200000000 ] - [ 0.0005025600000000, -0.0007369400000000, -0.0013985300000000 ]- atom: 89 displacement: [ 0.0099997439015081, 0.0000000000000000, 0.0000715674804079 ] forces: - [ 0.0046379900000000, 0.0013907300000000, -0.0011248600000000 ] - [ -0.0004933600000000, 0.0004196300000000, -0.0001048400000000 ] - [ 0.0038190100000000, 0.0016199400000000, 0.0020375300000000 ] - [ -0.0005068400000000, 0.0001718100000000, -0.0001241900000000 ] - [ 0.0007430800000000, -0.0000987800000000, 0.0002172800000000 ] - [ -0.0002065400000000, -0.0001369300000000, -0.0000322300000000 ] - [ 0.0007146000000000, -0.0004824900000000, 0.0001058000000000 ] - [ -0.0003978400000000, -0.0003957600000000, -0.0001606400000000 ] - [ 0.0011533600000000, 0.0000660800000000, 0.0002605300000000 ] - [ -0.0003309100000000, -0.0000657600000000, 0.0001113600000000 ] - [ 0.0002616100000000, 0.0000391600000000, 0.0007676000000000 ] - [ -0.0004513900000000, -0.0002039900000000, -0.0002437100000000 ] - [ 0.0026790100000000, -0.0003666400000000, 0.0027640400000000 ] - [ -0.0004816300000000, 0.0000857500000000, -0.0003934300000000 ] - [ 0.0006228400000000, 0.0002057700000000, 0.0003719200000000 ] - [ -0.0002184400000000, 0.0001706600000000, -0.0000739300000000 ] - [ 0.0076813100000000, -0.0013660400000000, 0.0015653600000000 ] - [ -0.0000161700000000, 0.0001053700000000, 0.0001977700000000 ] - [ 0.0005216800000000, 0.0007671700000000, 0.0015663500000000 ] - [ -0.0003340300000000, -0.0001108800000000, 0.0000987500000000 ] - [ 0.0007861400000000, -0.0002381000000000, 0.0007716300000000 ] - [ -0.0002649700000000, 0.0001278500000000, 0.0000124800000000 ] - [ 0.0051168200000000, 0.0014193500000000, 0.0008380700000000 ] - [ -0.0011246300000000, 0.0003203700000000, -0.0002565000000000 ] - [ 0.0043279300000000, -0.0001189100000000, 0.0008424000000000 ] - [ -0.0002992200000000, -0.0000822300000000, -0.0003457500000000 ] - [ 0.0003893900000000, 0.0006465700000000, 0.0006209900000000 ] - [ -0.0000733400000000, 0.0003562900000000, 0.0002371700000000 ] - [ 0.0010635500000000, -0.0006821700000000, 0.0006121300000000 ] - [ 0.0001109400000000, -0.0000933200000000, -0.0000618800000000 ] - [ -0.0003805100000000, -0.0012746100000000, -0.0009054100000000 ] - [ -0.0004935300000000, 0.0002018100000000, -0.0000987500000000 ] - [ 0.0012960400000000, -0.0000291900000000, 0.0005125900000000 ] - [ -0.0002806300000000, 0.0000044700000000, 0.0002093200000000 ] - [ -0.0003123200000000, -0.0003756800000000, 0.0001102200000000 ] - [ -0.0010536600000000, 0.0007150600000000, -0.0004619800000000 ] - [ 0.0000005000000000, -0.0003359800000000, 0.0001379000000000 ] - [ -0.0008427200000000, -0.0004021900000000, -0.0008864700000000 ] - [ -0.0002863000000000, 0.0002908300000000, 0.0001144200000000 ] - [ -0.0005479200000000, 0.0000647700000000, 0.0002606900000000 ] - [ 0.0006512400000000, -0.0001024100000000, 0.0003733700000000 ] - [ 0.0000254600000000, -0.0003467300000000, 0.0002859800000000 ] - [ -0.0014456700000000, 0.0005838600000000, -0.0001759900000000 ] - [ -0.0014198700000000, -0.0012115800000000, 0.0002228000000000 ] - [ -0.0003288000000000, 0.0004217700000000, -0.0001440300000000 ] - [ -0.0004460100000000, -0.0004777500000000, -0.0009077600000000 ] - [ -0.0003522100000000, 0.0005139900000000, -0.0011642800000000 ] - [ -0.0008633000000000, -0.0004480400000000, -0.0003333400000000 ] - [ -0.0012541500000000, -0.0002209400000000, -0.0004466200000000 ] - [ -0.0022553900000000, 0.0001155500000000, 0.0021745200000000 ] - [ -0.0002030000000000, 0.0000000400000000, 0.0002270900000000 ] - [ -0.0003652000000000, -0.0000549300000000, -0.0000122800000000 ] - [ -0.0003923600000000, -0.0001099800000000, -0.0000915700000000 ] - [ -0.0001252800000000, 0.0010763200000000, 0.0000996300000000 ] - [ -0.0002803400000000, -0.0002964100000000, -0.0003678000000000 ] - [ -0.0001162100000000, 0.0001915600000000, -0.0003976200000000 ] - [ -0.0003894000000000, 0.0001540100000000, 0.0000491900000000 ] - [ 0.0001079900000000, 0.0011389000000000, -0.0004162700000000 ] - [ -0.0006985800000000, 0.0001296300000000, -0.0001783100000000 ] - [ 0.0004886400000000, 0.0000292100000000, -0.0021250800000000 ] - [ -0.0003261700000000, -0.0000073900000000, -0.0001935000000000 ] - [ 0.0002320200000000, -0.0003234400000000, -0.0001384600000000 ] - [ -0.0005728700000000, 0.0000101700000000, -0.0002576800000000 ] - [ -0.0002711800000000, -0.0006619400000000, 0.0005023500000000 ] - [ 0.0596791200000000, -0.0393085800000000, 0.0107930600000000 ] - [ -0.0011517400000000, -0.0005825000000000, -0.0004105600000000 ] - [ 0.0011044800000000, 0.0010576600000000, 0.0013511400000000 ] - [ -0.0009162700000000, 0.0005016600000000, -0.0007723200000000 ] - [ 0.0019131100000000, 0.0007911100000000, -0.0000554900000000 ] - [ -0.0006012900000000, -0.0006719000000000, -0.0000187200000000 ] - [ 0.0009717700000000, 0.0008661000000000, 0.0006863700000000 ] - [ -0.0005120900000000, 0.0007268400000000, -0.0002155900000000 ] - [ -0.0021841300000000, -0.0012514000000000, 0.0004837800000000 ] - [ -0.0064788700000000, 0.0019858600000000, -0.0026176400000000 ] - [ -0.0009183500000000, 0.0000523900000000, -0.0024429100000000 ] - [ -0.0004172400000000, 0.0008834100000000, -0.0000175600000000 ] - [ -0.0009000000000000, -0.0002233200000000, 0.0001485400000000 ] - [ 0.0007326800000000, -0.0012655900000000, 0.0000961200000000 ] - [ -0.0007983200000000, 0.0004071500000000, -0.0001980000000000 ] - [ 0.0002691900000000, 0.0008823200000000, 0.0004901600000000 ] - [ -0.0009099400000000, -0.0107400100000000, -0.0050978500000000 ] - [ 0.0009550700000000, 0.0004575900000000, 0.0000220000000000 ] - [ -0.0019217900000000, -0.0002710200000000, -0.0005781800000000 ] - [ 0.0006528100000000, 0.0001791200000000, -0.0001069000000000 ] - [ -0.0062262900000000, -0.0033836200000000, 0.0027891400000000 ] - [ 0.0006792300000000, 0.0000987100000000, 0.0003801100000000 ] - [ -0.0016627800000000, -0.0007034500000000, -0.0014437900000000 ] - [ 0.0008236900000000, -0.0004055800000000, 0.0002145800000000 ] - [ -0.0942574700000000, 0.0575404300000000, -0.0218457400000000 ] - [ 0.0016046200000000, -0.0003346000000000, 0.0002835900000000 ] - [ -0.0010865200000000, -0.0002827500000000, -0.0007341600000000 ] - [ 0.0005623600000000, -0.0002508600000000, 0.0000383300000000 ] - [ -0.0006764300000000, -0.0001775300000000, -0.0020695600000000 ] - [ 0.0006650400000000, -0.0000469700000000, 0.0007058600000000 ] - [ -0.0023685700000000, -0.0023462000000000, -0.0009372400000000 ] - [ 0.0004388700000000, 0.0002853700000000, 0.0005590900000000 ] - [ -0.0007349700000000, 0.0001713500000000, -0.0015531100000000 ] - [ 0.0014768700000000, 0.0003732400000000, 0.0005359300000000 ] - [ -0.0003803400000000, -0.0004770300000000, 0.0002741300000000 ] - [ 0.0011470800000000, -0.0001775000000000, 0.0004319500000000 ] - [ -0.0009184300000000, 0.0000648100000000, -0.0005491500000000 ] - [ 0.0005769400000000, 0.0000111400000000, 0.0001052500000000 ] - [ -0.0009022100000000, -0.0003861500000000, -0.0000999500000000 ] - [ 0.0003147100000000, -0.0002720400000000, 0.0007473200000000 ] - [ -0.0000900500000000, -0.0004506200000000, -0.0002008600000000 ] - [ 0.0010294600000000, 0.0001389800000000, 0.0006150000000000 ] - [ 0.0023976700000000, -0.0004661600000000, 0.0032755200000000 ] - [ 0.0007964800000000, 0.0003138100000000, -0.0002017700000000 ] - [ -0.0031813000000000, -0.0010933100000000, 0.0002492000000000 ] - [ 0.0005334400000000, -0.0001358900000000, -0.0000882100000000 ] - [ 0.0021152600000000, 0.0001231800000000, -0.0019452700000000 ] - [ 0.0023408600000000, 0.0008692000000000, 0.0008563700000000 ] - [ 0.0030482300000000, 0.0021967100000000, -0.0016604800000000 ] - [ 0.0026877100000000, -0.0015359100000000, -0.0011398500000000 ] - [ 0.0005541800000000, 0.0006313000000000, -0.0005782400000000 ] - [ 0.0013101800000000, -0.0016465300000000, 0.0022227300000000 ] - [ -0.0009615500000000, 0.0009750600000000, 0.0021336000000000 ] - [ 0.0000656700000000, -0.0001326300000000, -0.0002325600000000 ] - [ -0.0002666300000000, -0.0000080000000000, -0.0001141800000000 ] - [ -0.0004724100000000, -0.0003910900000000, 0.0001820400000000 ] - [ 0.0002479200000000, -0.0004507600000000, 0.0003774900000000 ] - [ 0.0003833600000000, 0.0000229700000000, -0.0001240400000000 ] - [ 0.0009246600000000, -0.0004754600000000, -0.0003042600000000 ] - [ 0.0005185700000000, 0.0013702700000000, -0.0002900400000000 ] - [ 0.0020113200000000, 0.0002877700000000, 0.0006058500000000 ] - [ 0.0187997200000000, -0.0065059700000000, 0.0085127600000000 ] - [ -0.0003065400000000, -0.0002148900000000, 0.0001722800000000 ] - [ -0.0004559100000000, 0.0002211300000000, -0.0001713400000000 ] - [ 0.0004780300000000, 0.0000684400000000, 0.0003177300000000 ] - [ -0.0002628500000000, 0.0011689100000000, 0.0005682700000000 ] - [ 0.0006132000000000, 0.0001618800000000, -0.0001515800000000 ] - [ -0.0001557200000000, -0.0003214600000000, -0.0003008900000000 ] - [ 0.0015530200000000, 0.0000073800000000, 0.0011739500000000 ] - [ -0.0001516400000000, -0.0001196700000000, -0.0001668500000000 ] - [ 0.0004465300000000, -0.0000565700000000, 0.0005996300000000 ] - [ -0.0001227700000000, -0.0007630300000000, -0.0002181300000000 ]- atom: 89 displacement: [ -0.0099997439015081, 0.0000000000000000, -0.0000715674804079 ] forces: - [ -0.0045129700000000, -0.0005919000000000, 0.0010314700000000 ] - [ 0.0005798800000000, 0.0002819900000000, 0.0000694900000000 ] - [ -0.0038442600000000, -0.0013177700000000, -0.0020600200000000 ] - [ 0.0004956600000000, 0.0001010100000000, 0.0000865100000000 ] - [ -0.0004142800000000, -0.0001916800000000, -0.0000707000000000 ] - [ 0.0005379200000000, -0.0001531200000000, 0.0001784600000000 ] - [ -0.0006337000000000, -0.0002232900000000, -0.0001365300000000 ] - [ 0.0004833500000000, -0.0003060400000000, 0.0001251400000000 ] - [ -0.0008892600000000, -0.0001554500000000, 0.0001482400000000 ] - [ 0.0006039400000000, -0.0000134400000000, 0.0003012900000000 ] - [ -0.0002717700000000, -0.0003154200000000, -0.0008081800000000 ] - [ 0.0004402800000000, -0.0000689900000000, 0.0002068600000000 ] - [ -0.0022297300000000, 0.0004794700000000, -0.0030749600000000 ] - [ 0.0009854000000000, 0.0000349000000000, 0.0000390400000000 ] - [ -0.0002933500000000, 0.0000828000000000, -0.0002265300000000 ] - [ 0.0005502800000000, 0.0001193200000000, 0.0002204500000000 ] - [ -0.0067575600000000, 0.0021442600000000, -0.0011557400000000 ] - [ 0.0011428700000000, 0.0004448500000000, 0.0002898800000000 ] - [ -0.0002707700000000, -0.0008162500000000, -0.0009381200000000 ] - [ 0.0005925500000000, 0.0000608000000000, 0.0005341800000000 ] - [ -0.0005169000000000, 0.0003205700000000, -0.0003601200000000 ] - [ 0.0005385000000000, -0.0000484200000000, 0.0004005100000000 ] - [ -0.0061543700000000, -0.0009003500000000, -0.0017015200000000 ] - [ 0.0004904700000000, 0.0003684700000000, -0.0004770500000000 ] - [ -0.0038263000000000, 0.0000043700000000, -0.0012063000000000 ] - [ 0.0008039800000000, -0.0000381700000000, -0.0000081500000000 ] - [ 0.0002424600000000, 0.0000405000000000, 0.0001127200000000 ] - [ 0.0007109200000000, 0.0003320800000000, 0.0004989100000000 ] - [ 0.0000570400000000, 0.0001317600000000, -0.0001281000000000 ] - [ 0.0010165600000000, -0.0004569300000000, 0.0005488400000000 ] - [ 0.0001242000000000, 0.0012361300000000, 0.0002780500000000 ] - [ 0.0002391200000000, -0.0002493900000000, -0.0005324500000000 ] - [ -0.0010492100000000, 0.0000696400000000, 0.0001144000000000 ] - [ 0.0005393300000000, 0.0000451300000000, 0.0004241600000000 ] - [ -0.0008172500000000, 0.0009301200000000, -0.0005997500000000 ] - [ -0.0000691800000000, -0.0001627600000000, -0.0000234100000000 ] - [ -0.0006411500000000, -0.0003520600000000, -0.0008783300000000 ] - [ 0.0002096900000000, -0.0002865800000000, 0.0001504700000000 ] - [ -0.0002177200000000, -0.0001721500000000, 0.0002403400000000 ] - [ 0.0000472500000000, 0.0000551600000000, 0.0000945300000000 ] - [ -0.0000194100000000, -0.0005876100000000, 0.0003618600000000 ] - [ 0.0006114900000000, -0.0003418800000000, 0.0004503800000000 ] - [ 0.0011812000000000, -0.0006679100000000, -0.0002371200000000 ] - [ 0.0011444000000000, 0.0011236700000000, -0.0006317900000000 ] - [ 0.0000710800000000, -0.0003744800000000, -0.0004898600000000 ] - [ 0.0001916400000000, 0.0005233900000000, 0.0002743700000000 ] - [ -0.0007772000000000, -0.0010674400000000, 0.0006830700000000 ] - [ -0.0002604900000000, -0.0001027800000000, -0.0001520300000000 ] - [ 0.0009300900000000, -0.0000690800000000, 0.0003034500000000 ] - [ 0.0019167500000000, -0.0003986300000000, -0.0023058500000000 ] - [ -0.0003017700000000, -0.0001205500000000, 0.0001272100000000 ] - [ -0.0001352000000000, -0.0000659100000000, 0.0003687400000000 ] - [ 0.0004055500000000, 0.0003852100000000, 0.0001299400000000 ] - [ 0.0001424000000000, -0.0008048400000000, -0.0000604900000000 ] - [ 0.0000073100000000, 0.0003773800000000, -0.0000437700000000 ] - [ -0.0001520300000000, -0.0001103800000000, -0.0000119100000000 ] - [ 0.0003054100000000, 0.0005494200000000, -0.0000140000000000 ] - [ -0.0001870800000000, -0.0004380600000000, 0.0004531400000000 ] - [ 0.0003686700000000, 0.0001605800000000, 0.0000323500000000 ] - [ -0.0008069600000000, 0.0002621100000000, 0.0019805600000000 ] - [ 0.0003384600000000, -0.0002670600000000, 0.0002324100000000 ] - [ -0.0002180500000000, 0.0000517300000000, 0.0001800200000000 ] - [ 0.0004901900000000, -0.0007142900000000, 0.0002953000000000 ] - [ 0.0001878900000000, -0.0000402100000000, -0.0004653200000000 ] - [ -0.0577177700000000, 0.0357801800000000, -0.0103653100000000 ] - [ 0.0016149700000000, -0.0004338100000000, 0.0001171100000000 ] - [ -0.0006416300000000, -0.0000433500000000, -0.0016433500000000 ] - [ 0.0013778000000000, 0.0005154000000000, 0.0004792400000000 ] - [ -0.0015144000000000, -0.0021084200000000, 0.0003773900000000 ] - [ 0.0010095900000000, -0.0006409400000000, 0.0003455400000000 ] - [ -0.0005692500000000, 0.0004429300000000, -0.0003613500000000 ] - [ 0.0009205200000000, 0.0005860000000000, 0.0005420900000000 ] - [ 0.0017865900000000, -0.0000600800000000, -0.0008177000000000 ] - [ 0.0060600200000000, -0.0032863400000000, 0.0022897000000000 ] - [ 0.0005111400000000, 0.0012655800000000, 0.0021310000000000 ] - [ 0.0000162200000000, 0.0004292700000000, -0.0003049500000000 ] - [ 0.0004432300000000, -0.0007946800000000, 0.0001449200000000 ] - [ -0.0011915000000000, 0.0002500200000000, 0.0001943300000000 ] - [ 0.0003402700000000, 0.0006106600000000, 0.0004935700000000 ] - [ -0.0007286500000000, 0.0001310800000000, -0.0001945900000000 ] - [ 0.0009375800000000, 0.0114071500000000, 0.0046111600000000 ] - [ -0.0008572200000000, 0.0002150900000000, -0.0005156500000000 ] - [ 0.0013842200000000, 0.0006946700000000, -0.0000599000000000 ] - [ -0.0011962200000000, 0.0002400600000000, -0.0005341400000000 ] - [ 0.0057468500000000, 0.0035101100000000, -0.0022001100000000 ] - [ -0.0011123100000000, -0.0000531400000000, 0.0002723200000000 ] - [ 0.0017688200000000, 0.0000287300000000, 0.0009419800000000 ] - [ -0.0007238800000000, -0.0002676500000000, -0.0007072400000000 ] - [ 0.0943396400000000, -0.0555031100000000, 0.0213819900000000 ] - [ -0.0005951300000000, -0.0000010700000000, -0.0001480800000000 ] - [ 0.0005479300000000, -0.0001358900000000, 0.0000937600000000 ] - [ -0.0011056300000000, -0.0001680900000000, -0.0006801400000000 ] - [ 0.0002370700000000, 0.0001280200000000, 0.0027211700000000 ] - [ -0.0010996000000000, 0.0000010500000000, -0.0000549400000000 ] - [ 0.0019341200000000, 0.0026967000000000, 0.0018700300000000 ] - [ -0.0008912800000000, 0.0000638900000000, 0.0003639400000000 ] - [ 0.0017488000000000, 0.0001654400000000, 0.0016959000000000 ] - [ -0.0004673400000000, -0.0000379100000000, -0.0004002200000000 ] - [ 0.0013062100000000, 0.0004942700000000, 0.0003129500000000 ] - [ -0.0002316600000000, 0.0001928900000000, 0.0001501900000000 ] - [ 0.0007086300000000, 0.0002122600000000, 0.0001254600000000 ] - [ -0.0007957600000000, 0.0002616100000000, -0.0005298100000000 ] - [ 0.0004553300000000, 0.0000408000000000, 0.0010256400000000 ] - [ -0.0007676500000000, -0.0000763800000000, 0.0001760900000000 ] - [ 0.0010131000000000, 0.0004383000000000, 0.0007858800000000 ] - [ -0.0001144600000000, -0.0001541100000000, -0.0000329600000000 ] - [ -0.0021898500000000, 0.0007460300000000, -0.0028718300000000 ] - [ -0.0005823900000000, -0.0000395600000000, 0.0006234200000000 ] - [ 0.0029757000000000, 0.0008225200000000, -0.0006732600000000 ] - [ -0.0007525500000000, -0.0001370100000000, -0.0003369300000000 ] - [ -0.0030432300000000, -0.0001090800000000, 0.0013777900000000 ] - [ -0.0032498700000000, -0.0008501500000000, -0.0014353100000000 ] - [ -0.0026175900000000, -0.0018642200000000, 0.0007498800000000 ] - [ -0.0022323500000000, 0.0018723200000000, 0.0002093600000000 ] - [ -0.0003371600000000, -0.0009083400000000, 0.0010096800000000 ] - [ -0.0010951300000000, 0.0013608200000000, -0.0017881600000000 ] - [ 0.0000582700000000, -0.0009936400000000, -0.0027312200000000 ] - [ -0.0009881500000000, 0.0001174500000000, -0.0003527400000000 ] - [ -0.0007457300000000, -0.0003304100000000, -0.0000210200000000 ] - [ -0.0005449200000000, 0.0000560200000000, -0.0003183600000000 ] - [ 0.0002059100000000, 0.0001028600000000, -0.0013051100000000 ] - [ 0.0000626800000000, -0.0003710700000000, -0.0008009500000000 ] - [ -0.0004962000000000, 0.0005251200000000, -0.0003470500000000 ] - [ -0.0000924300000000, -0.0013237500000000, -0.0003619000000000 ] - [ -0.0014765500000000, 0.0001315500000000, 0.0000352500000000 ] - [ -0.0180504100000000, 0.0068435900000000, -0.0077631600000000 ] - [ -0.0007044300000000, 0.0005527300000000, -0.0003092800000000 ] - [ -0.0005595900000000, 0.0001172700000000, 0.0000332300000000 ] - [ -0.0005803600000000, 0.0006056100000000, 0.0001764900000000 ] - [ 0.0001497500000000, -0.0005036400000000, -0.0000759400000000 ] - [ -0.0001828100000000, -0.0002096900000000, -0.0005002500000000 ] - [ 0.0005847600000000, 0.0002784100000000, -0.0003549000000000 ] - [ -0.0010144900000000, -0.0004279000000000, -0.0005363800000000 ] - [ 0.0006864600000000, -0.0003001100000000, 0.0008040600000000 ] - [ -0.0005492300000000, -0.0006187000000000, -0.0001083900000000 ] - [ 0.0000183900000000, 0.0000922100000000, 0.0007114700000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017710600000000, 0.0053800500000000, -0.0019631800000000 ] - [ 0.0001746500000000, 0.0004149700000000, -0.0000039800000000 ] - [ 0.0013004800000000, 0.0072321600000000, 0.0054011700000000 ] - [ 0.0000929100000000, 0.0002086300000000, 0.0000007300000000 ] - [ 0.0001254400000000, -0.0014324500000000, -0.0005320000000000 ] - [ 0.0002434000000000, -0.0001848300000000, 0.0000862200000000 ] - [ -0.0003703900000000, -0.0010438900000000, 0.0008412800000000 ] - [ 0.0001047100000000, -0.0003760300000000, 0.0000078100000000 ] - [ -0.0008685900000000, -0.0028659800000000, 0.0000944800000000 ] - [ 0.0002307600000000, -0.0001082300000000, 0.0002202400000000 ] - [ 0.0003124400000000, -0.0004856600000000, -0.0008057000000000 ] - [ 0.0000323900000000, -0.0001485600000000, -0.0000116500000000 ] - [ -0.0013947300000000, 0.0033050800000000, 0.0011905000000000 ] - [ 0.0004203900000000, 0.0001082100000000, -0.0001169300000000 ] - [ -0.0001718300000000, -0.0011061900000000, 0.0003907500000000 ] - [ 0.0002507400000000, 0.0000705200000000, 0.0001250800000000 ] - [ -0.0031150100000000, 0.0062406700000000, -0.0004943500000000 ] - [ 0.0005704000000000, 0.0003965900000000, 0.0002405000000000 ] - [ 0.0011427500000000, -0.0002572000000000, -0.0010715700000000 ] - [ 0.0001342400000000, 0.0000536900000000, 0.0003364800000000 ] - [ 0.0000264600000000, -0.0004395400000000, 0.0011066500000000 ] - [ 0.0002020500000000, 0.0000438900000000, 0.0002375200000000 ] - [ 0.0007286900000000, 0.0036150900000000, -0.0003364600000000 ] - [ -0.0000898100000000, 0.0004642100000000, -0.0004099200000000 ] - [ -0.0000090900000000, 0.0034757800000000, -0.0016165900000000 ] - [ 0.0003544700000000, -0.0000124900000000, -0.0001554400000000 ] - [ 0.0006954300000000, -0.0003123500000000, 0.0000663600000000 ] - [ 0.0002033000000000, 0.0001909200000000, 0.0003251500000000 ] - [ 0.0001657500000000, -0.0003564800000000, 0.0000779700000000 ] - [ 0.0007490700000000, -0.0003731900000000, 0.0003649800000000 ] - [ -0.0005909100000000, -0.0004539300000000, -0.0005407700000000 ] - [ 0.0002750700000000, -0.0001400800000000, -0.0003988800000000 ] - [ -0.0008991900000000, -0.0021327100000000, -0.0010322200000000 ] - [ 0.0002251300000000, -0.0000236200000000, 0.0003336300000000 ] - [ -0.0009242200000000, -0.0001535500000000, -0.0002024500000000 ] - [ -0.0001804500000000, -0.0000294500000000, -0.0001152600000000 ] - [ -0.0005040200000000, -0.0000237600000000, -0.0005050400000000 ] - [ -0.0001840600000000, -0.0001865200000000, -0.0002206700000000 ] - [ 0.0000817500000000, -0.0003864400000000, 0.0003247000000000 ] - [ -0.0003712100000000, -0.0003136400000000, 0.0002529900000000 ] - [ 0.0003153700000000, -0.0010331500000000, 0.0006294600000000 ] - [ 0.0003556300000000, -0.0004277500000000, 0.0003781500000000 ] - [ 0.0006702700000000, 0.0002958100000000, -0.0003243300000000 ] - [ -0.0011952200000000, 0.0009249100000000, -0.0005547700000000 ] - [ 0.0000753600000000, 0.0001000400000000, -0.0003729000000000 ] - [ -0.0005922500000000, 0.0004826000000000, -0.0005470500000000 ] - [ 0.0000066400000000, -0.0004085700000000, 0.0010344500000000 ] - [ -0.0006570900000000, -0.0002226600000000, -0.0002819500000000 ] - [ -0.0001943200000000, 0.0000705300000000, -0.0001972800000000 ] - [ 0.0007393600000000, 0.0012831900000000, -0.0008619100000000 ] - [ -0.0001915700000000, -0.0001982800000000, 0.0002035600000000 ] - [ -0.0002736800000000, -0.0004802000000000, 0.0000420300000000 ] - [ -0.0000256400000000, -0.0000018000000000, 0.0000137400000000 ] - [ 0.0008526700000000, -0.0013204100000000, 0.0001368400000000 ] - [ -0.0002614100000000, -0.0000280300000000, -0.0003084600000000 ] - [ 0.0002105500000000, 0.0001128500000000, 0.0002595000000000 ] - [ -0.0000758700000000, 0.0002546700000000, 0.0000359800000000 ] - [ 0.0006374600000000, -0.0008701400000000, 0.0004720900000000 ] - [ -0.0001307600000000, 0.0002318200000000, -0.0000421400000000 ] - [ -0.0000504700000000, 0.0018395700000000, 0.0008617000000000 ] - [ 0.0001443000000000, -0.0001087300000000, 0.0001306500000000 ] - [ -0.0004461300000000, -0.0004065000000000, -0.0009592600000000 ] - [ 0.0003035600000000, -0.0003932700000000, 0.0001971300000000 ] - [ -0.0009472100000000, -0.0003732800000000, 0.0003985100000000 ] - [ -0.0353656700000000, 0.0718377300000000, -0.0129415900000000 ] - [ 0.0003378800000000, -0.0004650900000000, -0.0001187000000000 ] - [ 0.0000614000000000, 0.0028578000000000, -0.0001417000000000 ] - [ 0.0003864400000000, 0.0006352900000000, -0.0000351800000000 ] - [ -0.0004018400000000, -0.0051028700000000, 0.0003371600000000 ] - [ 0.0003578100000000, -0.0007232200000000, 0.0002208600000000 ] - [ 0.0000671900000000, -0.0006470900000000, 0.0000900900000000 ] - [ 0.0002901200000000, 0.0004632800000000, 0.0002176200000000 ] - [ -0.0002603200000000, 0.0002191800000000, 0.0003905600000000 ] - [ 0.0014308900000000, -0.0007136900000000, 0.0004129500000000 ] - [ -0.0007439500000000, 0.0021439800000000, 0.0003986000000000 ] - [ -0.0000192200000000, 0.0010863300000000, -0.0001436200000000 ] - [ -0.0000219600000000, -0.0007211900000000, 0.0000356000000000 ] - [ -0.0007160300000000, -0.0028168600000000, 0.0001572900000000 ] - [ 0.0000384400000000, 0.0001883900000000, 0.0002141500000000 ] - [ -0.0004958200000000, -0.0005947600000000, 0.0000806700000000 ] - [ -0.0109978000000000, 0.0134133500000000, 0.0084050000000000 ] - [ -0.0000191000000000, 0.0003093600000000, -0.0002569400000000 ] - [ 0.0004165100000000, 0.0026572100000000, -0.0001262300000000 ] - [ -0.0004878300000000, 0.0003304600000000, -0.0003548800000000 ] - [ -0.0048803900000000, 0.0113096100000000, -0.0128875600000000 ] - [ -0.0003289500000000, 0.0000218900000000, 0.0003078100000000 ] - [ -0.0002972200000000, -0.0025475700000000, 0.0013876200000000 ] - [ -0.0000809200000000, -0.0004462500000000, -0.0003167400000000 ] - [ 0.0553212800000000, -0.1197241300000000, 0.0165300400000000 ] - [ 0.0003389000000000, -0.0002566200000000, 0.0000470500000000 ] - [ -0.0000267500000000, 0.0006451000000000, -0.0002383200000000 ] - [ -0.0004573600000000, -0.0000964900000000, -0.0003934700000000 ] - [ 0.0005149900000000, -0.0024571200000000, -0.0013439000000000 ] - [ -0.0003938600000000, -0.0001710900000000, 0.0002261000000000 ] - [ -0.0009486000000000, 0.0049906200000000, 0.0014740000000000 ] - [ -0.0002692500000000, 0.0001612900000000, 0.0004449400000000 ] - [ 0.0005012200000000, -0.0012902000000000, -0.0000251100000000 ] - [ 0.0003005000000000, 0.0000761800000000, -0.0000321000000000 ] - [ 0.0003791100000000, 0.0030362900000000, 0.0002001200000000 ] - [ 0.0003737900000000, 0.0002019800000000, 0.0002681000000000 ] - [ 0.0004797300000000, 0.0014894900000000, -0.0003365900000000 ] - [ -0.0002571700000000, 0.0003251000000000, -0.0002998500000000 ] - [ 0.0000004700000000, 0.0011422700000000, 0.0010268700000000 ] - [ -0.0003363000000000, -0.0000078800000000, 0.0004172200000000 ] - [ 0.0004982000000000, 0.0010132900000000, 0.0004261900000000 ] - [ 0.0005142800000000, 0.0000769000000000, 0.0003134000000000 ] - [ -0.0011596000000000, -0.0020244500000000, -0.0009982400000000 ] - [ 0.0001241500000000, -0.0004597100000000, 0.0002184400000000 ] - [ -0.0003172100000000, 0.0039438000000000, -0.0017081000000000 ] - [ -0.0002082600000000, -0.0001136200000000, -0.0002284900000000 ] - [ -0.0007897600000000, -0.0013263200000000, -0.0000809000000000 ] - [ -0.0011482700000000, -0.0008848000000000, -0.0005082400000000 ] - [ 0.0011425800000000, 0.0002641800000000, -0.0007992000000000 ] - [ -0.0008114500000000, 0.0001089000000000, -0.0006648200000000 ] - [ 0.0002374800000000, -0.0004325200000000, 0.0002286500000000 ] - [ -0.0008466100000000, -0.0002886500000000, -0.0002379600000000 ] - [ 0.0005768900000000, -0.0008975700000000, 0.0005762500000000 ] - [ -0.0006106300000000, -0.0002796100000000, -0.0003336900000000 ] - [ -0.0006692600000000, 0.0001658000000000, -0.0000662500000000 ] - [ -0.0002803200000000, 0.0020348900000000, -0.0000885400000000 ] - [ 0.0002025400000000, -0.0008317700000000, -0.0007482700000000 ] - [ 0.0002231800000000, -0.0007583200000000, -0.0004227300000000 ] - [ -0.0001874200000000, 0.0002005400000000, -0.0003010500000000 ] - [ 0.0022898200000000, 0.0020197700000000, 0.0002644800000000 ] - [ 0.0001973900000000, -0.0001170200000000, 0.0002617600000000 ] - [ -0.0041746900000000, -0.0043226400000000, -0.0010825900000000 ] - [ -0.0008897900000000, 0.0005316500000000, -0.0003038000000000 ] - [ -0.0004539600000000, 0.0008783800000000, -0.0000398500000000 ] - [ -0.0002293400000000, 0.0003944500000000, 0.0002530600000000 ] - [ 0.0022973300000000, 0.0028016400000000, 0.0007995500000000 ] - [ 0.0001599500000000, 0.0002018500000000, -0.0003924500000000 ] - [ 0.0001171500000000, 0.0011946300000000, -0.0007888900000000 ] - [ 0.0002268800000000, -0.0005842400000000, 0.0001513000000000 ] - [ 0.0004536600000000, -0.0011996500000000, 0.0003506300000000 ] - [ -0.0000812800000000, -0.0000136600000000, 0.0002909500000000 ] - [ -0.0004039900000000, 0.0007669000000000, 0.0005255600000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015188400000000, -0.0044730900000000, 0.0017860000000000 ] - [ -0.0000894700000000, 0.0002881900000000, -0.0000318200000000 ] - [ -0.0011965000000000, -0.0067222300000000, -0.0051561000000000 ] - [ -0.0001048000000000, 0.0000657600000000, -0.0000386300000000 ] - [ 0.0002045700000000, 0.0011391000000000, 0.0006746200000000 ] - [ 0.0000873500000000, -0.0001050800000000, 0.0000598500000000 ] - [ 0.0004549500000000, 0.0003376500000000, -0.0008754300000000 ] - [ -0.0000199000000000, -0.0003269600000000, -0.0000434400000000 ] - [ 0.0011410000000000, 0.0027884300000000, 0.0003150100000000 ] - [ 0.0000414200000000, 0.0000276700000000, 0.0001919000000000 ] - [ -0.0003233000000000, 0.0002079300000000, 0.0007664700000000 ] - [ -0.0000445000000000, -0.0001254100000000, -0.0000262400000000 ] - [ 0.0018856200000000, -0.0031910200000000, -0.0015233200000000 ] - [ 0.0000836800000000, 0.0000122700000000, -0.0002374200000000 ] - [ 0.0005002500000000, 0.0013940200000000, -0.0002428800000000 ] - [ 0.0000802300000000, 0.0002192700000000, 0.0000211000000000 ] - [ 0.0039844000000000, -0.0054533700000000, 0.0009019400000000 ] - [ 0.0005555800000000, 0.0001555700000000, 0.0002455600000000 ] - [ -0.0008819400000000, 0.0002130200000000, 0.0016977400000000 ] - [ 0.0001231200000000, -0.0001014100000000, 0.0002964600000000 ] - [ 0.0002445800000000, 0.0005206800000000, -0.0006896800000000 ] - [ 0.0000699900000000, 0.0000366300000000, 0.0001749000000000 ] - [ -0.0013985200000000, -0.0029139800000000, -0.0004052200000000 ] - [ -0.0005437400000000, 0.0002245700000000, -0.0003265600000000 ] - [ 0.0005128500000000, -0.0035983900000000, 0.0012396500000000 ] - [ 0.0001485100000000, -0.0001075400000000, -0.0001992900000000 ] - [ -0.0000581000000000, 0.0009986700000000, 0.0006671400000000 ] - [ 0.0004301300000000, 0.0004974800000000, 0.0004097800000000 ] - [ 0.0009604400000000, -0.0001980100000000, 0.0004088500000000 ] - [ 0.0003766200000000, -0.0001787000000000, 0.0001219400000000 ] - [ 0.0003335900000000, 0.0004004200000000, -0.0000927300000000 ] - [ -0.0005336800000000, 0.0000893300000000, -0.0002346900000000 ] - [ 0.0011576700000000, 0.0021829400000000, 0.0016704000000000 ] - [ 0.0000319700000000, 0.0000721600000000, 0.0002988500000000 ] - [ -0.0002003300000000, 0.0007009600000000, -0.0002835400000000 ] - [ -0.0009456100000000, 0.0005776300000000, -0.0003712600000000 ] - [ -0.0001332000000000, -0.0006634900000000, -0.0002318000000000 ] - [ -0.0004506200000000, -0.0005012300000000, -0.0005128300000000 ] - [ -0.0005817100000000, 0.0005041100000000, 0.0000314200000000 ] - [ -0.0001338200000000, 0.0004336300000000, 0.0001017300000000 ] - [ 0.0003206800000000, 0.0003430000000000, 0.0001082800000000 ] - [ 0.0002780200000000, -0.0002608700000000, 0.0003569000000000 ] - [ -0.0009379300000000, -0.0003712900000000, -0.0000897200000000 ] - [ 0.0009224700000000, -0.0009942100000000, 0.0001382600000000 ] - [ -0.0003321200000000, -0.0000491200000000, -0.0002598800000000 ] - [ 0.0003321100000000, -0.0004293400000000, -0.0000850100000000 ] - [ -0.0011298300000000, -0.0001400200000000, -0.0015124500000000 ] - [ -0.0004695200000000, -0.0003268600000000, -0.0002048000000000 ] - [ -0.0001378300000000, -0.0003594300000000, 0.0000504100000000 ] - [ -0.0010600800000000, -0.0015755100000000, 0.0007064600000000 ] - [ -0.0003104200000000, 0.0000778900000000, 0.0001517800000000 ] - [ -0.0002310500000000, 0.0003595100000000, 0.0003118500000000 ] - [ 0.0000374000000000, 0.0002739300000000, 0.0000242500000000 ] - [ -0.0008413700000000, 0.0015890800000000, -0.0000994500000000 ] - [ -0.0000113300000000, 0.0001064400000000, -0.0001039800000000 ] - [ -0.0004845200000000, -0.0000347700000000, -0.0006720000000000 ] - [ -0.0000092200000000, 0.0004465000000000, 0.0000000600000000 ] - [ -0.0007235500000000, 0.0015673600000000, -0.0004360000000000 ] - [ -0.0002007000000000, 0.0000587900000000, -0.0001036100000000 ] - [ -0.0002776700000000, -0.0015472100000000, -0.0009933400000000 ] - [ -0.0001320700000000, -0.0001640000000000, -0.0000920400000000 ] - [ 0.0004559600000000, 0.0001334700000000, 0.0009913200000000 ] - [ -0.0003863700000000, -0.0003080300000000, -0.0001597700000000 ] - [ 0.0008569900000000, -0.0003267100000000, -0.0003606100000000 ] - [ 0.0389578000000000, -0.0758749700000000, 0.0137357500000000 ] - [ 0.0001204700000000, -0.0005520200000000, -0.0001755900000000 ] - [ 0.0003995800000000, -0.0018395400000000, -0.0001525600000000 ] - [ 0.0000721100000000, 0.0003827500000000, -0.0002588000000000 ] - [ 0.0008054500000000, 0.0037719200000000, -0.0000095000000000 ] - [ 0.0000481900000000, -0.0005885900000000, 0.0001047600000000 ] - [ 0.0003385400000000, 0.0019579500000000, 0.0002357800000000 ] - [ 0.0001157600000000, 0.0008480200000000, 0.0001080800000000 ] - [ -0.0001495900000000, -0.0015307900000000, -0.0007141200000000 ] - [ -0.0018003900000000, -0.0006148900000000, -0.0007245600000000 ] - [ 0.0003333000000000, -0.0008238800000000, -0.0007240600000000 ] - [ -0.0003858300000000, 0.0002266000000000, -0.0001824400000000 ] - [ -0.0004347500000000, -0.0002954900000000, 0.0002574600000000 ] - [ 0.0002515600000000, 0.0017958200000000, 0.0001352700000000 ] - [ -0.0004957700000000, 0.0008268600000000, 0.0000802700000000 ] - [ 0.0000350000000000, 0.0016106600000000, 0.0002125600000000 ] - [ 0.0112240600000000, -0.0128190200000000, -0.0089826900000000 ] - [ 0.0001202700000000, 0.0003648500000000, -0.0002354000000000 ] - [ -0.0009527200000000, -0.0022313200000000, -0.0005131900000000 ] - [ -0.0000544100000000, 0.0000900100000000, -0.0002859000000000 ] - [ 0.0045020500000000, -0.0113107000000000, 0.0136642700000000 ] - [ -0.0001026000000000, 0.0000258400000000, 0.0003440200000000 ] - [ 0.0003945200000000, 0.0018610700000000, -0.0018814800000000 ] - [ 0.0001813200000000, -0.0002286200000000, -0.0001757600000000 ] - [ -0.0575062800000000, 0.1217909300000000, -0.0175493900000000 ] - [ 0.0006718900000000, -0.0000801000000000, 0.0000894600000000 ] - [ -0.0005133100000000, -0.0010640900000000, -0.0004021800000000 ] - [ -0.0000848200000000, -0.0003227700000000, -0.0002478400000000 ] - [ -0.0009504500000000, 0.0023943800000000, 0.0019948000000000 ] - [ -0.0000378900000000, 0.0001232900000000, 0.0004252600000000 ] - [ 0.0004946000000000, -0.0046238600000000, -0.0005410200000000 ] - [ -0.0001815400000000, 0.0001860700000000, 0.0004789700000000 ] - [ 0.0005054800000000, 0.0016302800000000, 0.0001596100000000 ] - [ 0.0007101100000000, 0.0002598200000000, 0.0001674500000000 ] - [ 0.0005359800000000, -0.0030130500000000, 0.0003811500000000 ] - [ 0.0005450100000000, -0.0001855700000000, 0.0003152900000000 ] - [ -0.0006981500000000, -0.0012122200000000, -0.0000876000000000 ] - [ 0.0000398100000000, -0.0000500000000000, -0.0001247500000000 ] - [ -0.0004519400000000, -0.0014870600000000, -0.0001047300000000 ] - [ -0.0001146900000000, -0.0003384200000000, 0.0005066200000000 ] - [ 0.0004191500000000, -0.0010275000000000, 0.0001568200000000 ] - [ 0.0004048800000000, -0.0000923000000000, 0.0002696800000000 ] - [ 0.0013731700000000, 0.0022823500000000, 0.0014167700000000 ] - [ 0.0000919500000000, 0.0007316500000000, 0.0002083800000000 ] - [ 0.0001023300000000, -0.0042029200000000, 0.0012737000000000 ] - [ -0.0000089100000000, -0.0001604400000000, -0.0001959400000000 ] - [ -0.0001221600000000, 0.0013343600000000, -0.0005030200000000 ] - [ 0.0002173300000000, 0.0008938200000000, -0.0000793800000000 ] - [ -0.0006835200000000, 0.0000906800000000, -0.0001297500000000 ] - [ 0.0012507300000000, 0.0002518300000000, -0.0002525100000000 ] - [ -0.0000202800000000, 0.0001608100000000, 0.0001945100000000 ] - [ 0.0010586700000000, 0.0000250900000000, 0.0006521400000000 ] - [ -0.0014881000000000, 0.0008849900000000, -0.0011517300000000 ] - [ -0.0003081700000000, 0.0002648100000000, -0.0002490900000000 ] - [ -0.0003464100000000, -0.0005013100000000, -0.0000704200000000 ] - [ -0.0007271900000000, -0.0023669400000000, -0.0000458500000000 ] - [ 0.0002483400000000, 0.0004791300000000, -0.0001767300000000 ] - [ 0.0002276500000000, 0.0004075000000000, -0.0005014100000000 ] - [ 0.0006149600000000, -0.0001534300000000, -0.0003504300000000 ] - [ -0.0018489300000000, -0.0019687000000000, -0.0009131900000000 ] - [ 0.0003449400000000, 0.0005356900000000, 0.0003796600000000 ] - [ 0.0046089400000000, 0.0047933700000000, 0.0016849000000000 ] - [ -0.0001251500000000, -0.0001944800000000, 0.0001656800000000 ] - [ -0.0005569900000000, -0.0005412800000000, -0.0000958000000000 ] - [ 0.0001266800000000, 0.0002774800000000, 0.0002410400000000 ] - [ -0.0023889700000000, -0.0021223200000000, -0.0003042900000000 ] - [ 0.0002697200000000, -0.0002470200000000, -0.0002595200000000 ] - [ 0.0003152300000000, -0.0012395500000000, 0.0001378600000000 ] - [ 0.0003145800000000, 0.0001629900000000, 0.0004892400000000 ] - [ 0.0000859400000000, 0.0007800200000000, 0.0002901400000000 ] - [ -0.0000210900000000, -0.0006572300000000, 0.0002019400000000 ] - [ 0.0003049500000000, -0.0014380000000000, -0.0000319800000000 ]- atom: 89 displacement: [ -0.0030577532044204, 0.0000000000000000, 0.0095210369887348 ] forces: - [ -0.0019768800000000, -0.0005397900000000, 0.0039500800000000 ] - [ 0.0000651100000000, 0.0003401000000000, 0.0000254900000000 ] - [ 0.0001022600000000, 0.0029918000000000, 0.0062372600000000 ] - [ 0.0000464400000000, 0.0001181100000000, -0.0000403200000000 ] - [ 0.0002097800000000, -0.0004045800000000, -0.0000960900000000 ] - [ 0.0001698600000000, -0.0001458700000000, 0.0000389600000000 ] - [ 0.0002027700000000, 0.0004313900000000, -0.0011253700000000 ] - [ 0.0000061500000000, -0.0003636000000000, -0.0000609900000000 ] - [ 0.0000445900000000, 0.0006781300000000, 0.0011967300000000 ] - [ 0.0001562600000000, -0.0000345200000000, 0.0002124800000000 ] - [ 0.0006027900000000, -0.0006752500000000, -0.0009270400000000 ] - [ -0.0000657000000000, -0.0001552400000000, -0.0000009000000000 ] - [ 0.0023957500000000, 0.0001348100000000, -0.0026632600000000 ] - [ 0.0002422400000000, 0.0000589500000000, -0.0001758100000000 ] - [ 0.0002897700000000, 0.0002381900000000, -0.0001119800000000 ] - [ 0.0001440800000000, 0.0001456100000000, 0.0001020100000000 ] - [ -0.0000845200000000, 0.0004043300000000, 0.0032346400000000 ] - [ 0.0006391500000000, 0.0002797800000000, 0.0002650900000000 ] - [ 0.0011224300000000, -0.0013416600000000, -0.0007092000000000 ] - [ 0.0000837300000000, -0.0000171700000000, 0.0003260600000000 ] - [ 0.0002607500000000, 0.0006470900000000, -0.0008864900000000 ] - [ 0.0000944900000000, 0.0000501700000000, 0.0001896300000000 ] - [ -0.0013647700000000, -0.0000702800000000, 0.0024886100000000 ] - [ -0.0002006800000000, 0.0003369700000000, -0.0003268500000000 ] - [ -0.0004622400000000, 0.0003042700000000, -0.0006044900000000 ] - [ 0.0002453100000000, -0.0000616400000000, -0.0001824500000000 ] - [ 0.0004916300000000, 0.0002350200000000, 0.0004237200000000 ] - [ 0.0002798700000000, 0.0003488400000000, 0.0004535500000000 ] - [ 0.0007762600000000, -0.0002309000000000, -0.0004371100000000 ] - [ 0.0004846400000000, -0.0002678200000000, 0.0002076100000000 ] - [ -0.0003820200000000, -0.0000857800000000, -0.0000568900000000 ] - [ 0.0001047600000000, -0.0000459000000000, -0.0004000500000000 ] - [ -0.0004804100000000, -0.0012489400000000, 0.0002479700000000 ] - [ 0.0001460100000000, 0.0000255600000000, 0.0003089800000000 ] - [ -0.0002978300000000, 0.0005339400000000, -0.0001911800000000 ] - [ -0.0006153900000000, 0.0002725300000000, -0.0000935500000000 ] - [ 0.0000254100000000, -0.0003810600000000, -0.0018242800000000 ] - [ -0.0004564500000000, -0.0003276500000000, -0.0004133600000000 ] - [ -0.0003183700000000, 0.0000477100000000, 0.0003158600000000 ] - [ -0.0000708500000000, 0.0000832900000000, 0.0001685100000000 ] - [ 0.0001826000000000, -0.0003805300000000, 0.0001990400000000 ] - [ 0.0003259700000000, -0.0003404600000000, 0.0002984300000000 ] - [ 0.0000317400000000, -0.0002672900000000, 0.0001310400000000 ] - [ 0.0003422700000000, -0.0000677100000000, 0.0003970400000000 ] - [ 0.0001284900000000, -0.0000963200000000, -0.0005727000000000 ] - [ -0.0005082600000000, 0.0000601500000000, -0.0003402200000000 ] - [ -0.0010044900000000, 0.0001204000000000, -0.0005106600000000 ] - [ -0.0005350800000000, -0.0002750700000000, -0.0003701100000000 ] - [ -0.0002521600000000, -0.0001766000000000, 0.0001583600000000 ] - [ 0.0023047300000000, -0.0005467500000000, -0.0004776400000000 ] - [ -0.0001929700000000, -0.0000801500000000, 0.0000519900000000 ] - [ -0.0004018300000000, -0.0000621900000000, 0.0000627900000000 ] - [ 0.0000107400000000, 0.0001688300000000, 0.0000900700000000 ] - [ 0.0001112600000000, -0.0002054400000000, 0.0006063900000000 ] - [ -0.0002199500000000, -0.0001293900000000, -0.0004574700000000 ] - [ -0.0002771100000000, 0.0000495500000000, -0.0006149400000000 ] - [ 0.0000221300000000, 0.0003821900000000, -0.0000467000000000 ] - [ -0.0004016400000000, 0.0006749600000000, 0.0003898100000000 ] - [ -0.0000623700000000, 0.0001297600000000, -0.0002996200000000 ] - [ -0.0019655900000000, 0.0003519800000000, -0.0020217500000000 ] - [ -0.0000154000000000, -0.0001072600000000, -0.0000718500000000 ] - [ -0.0001751100000000, -0.0005003200000000, -0.0008531900000000 ] - [ -0.0001402000000000, -0.0003071300000000, 0.0000809700000000 ] - [ 0.0006056400000000, -0.0000839700000000, -0.0004811100000000 ] - [ -0.0081051500000000, -0.0014681500000000, 0.0277453800000000 ] - [ 0.0004870500000000, -0.0004203900000000, -0.0000749500000000 ] - [ 0.0013622900000000, 0.0004903400000000, -0.0039213900000000 ] - [ -0.0000390400000000, 0.0005852500000000, -0.0002332000000000 ] - [ -0.0003953100000000, -0.0005332800000000, 0.0021186300000000 ] - [ 0.0002696000000000, -0.0006652500000000, 0.0001780900000000 ] - [ 0.0004002000000000, 0.0006129800000000, -0.0006384100000000 ] - [ 0.0000973800000000, 0.0006309200000000, 0.0001307800000000 ] - [ 0.0007139300000000, 0.0004037300000000, 0.0001976600000000 ] - [ -0.0002897500000000, -0.0007207000000000, 0.0000038000000000 ] - [ -0.0011136300000000, 0.0014107900000000, -0.0005778700000000 ] - [ 0.0000699500000000, 0.0006649600000000, -0.0007403600000000 ] - [ -0.0001533400000000, -0.0004890300000000, 0.0001958600000000 ] - [ -0.0006880600000000, -0.0006411600000000, 0.0019846100000000 ] - [ -0.0003479600000000, 0.0005514000000000, 0.0000899700000000 ] - [ -0.0000063700000000, 0.0005131200000000, -0.0005239900000000 ] - [ -0.0048632900000000, 0.0131160400000000, -0.0012646600000000 ] - [ -0.0000031400000000, 0.0003040600000000, -0.0003382500000000 ] - [ -0.0000098700000000, 0.0002506700000000, -0.0011708100000000 ] - [ -0.0003536300000000, 0.0002079200000000, -0.0003513300000000 ] - [ 0.0051754200000000, -0.0128591400000000, 0.0034628000000000 ] - [ -0.0003159100000000, -0.0000095400000000, 0.0003728100000000 ] - [ -0.0002577600000000, 0.0000949100000000, 0.0043680100000000 ] - [ 0.0001260000000000, -0.0003694900000000, -0.0001469400000000 ] - [ 0.0091826100000000, -0.0014416900000000, -0.0391534500000000 ] - [ 0.0003747300000000, -0.0001377600000000, 0.0000238800000000 ] - [ -0.0004720700000000, -0.0002228300000000, 0.0001523100000000 ] - [ -0.0001437600000000, -0.0002137200000000, -0.0002739400000000 ] - [ -0.0029687400000000, -0.0005130200000000, 0.0044060500000000 ] - [ -0.0000844800000000, -0.0000518500000000, 0.0002937400000000 ] - [ -0.0006975300000000, 0.0017341400000000, -0.0011322600000000 ] - [ -0.0002653700000000, 0.0001648100000000, 0.0004305900000000 ] - [ -0.0006825500000000, 0.0002510300000000, 0.0038786900000000 ] - [ 0.0006531100000000, 0.0002003900000000, 0.0001195900000000 ] - [ 0.0006907400000000, 0.0000326800000000, -0.0007449800000000 ] - [ 0.0003658800000000, 0.0000119900000000, 0.0002675100000000 ] - [ -0.0005043900000000, -0.0002552000000000, 0.0003135100000000 ] - [ -0.0000602400000000, 0.0001416300000000, -0.0002155500000000 ] - [ -0.0003767800000000, 0.0002229700000000, 0.0013370700000000 ] - [ -0.0001711200000000, -0.0001738200000000, 0.0004959400000000 ] - [ 0.0002927000000000, 0.0001304200000000, 0.0009586800000000 ] - [ 0.0005980800000000, 0.0000238200000000, 0.0003372300000000 ] - [ 0.0008710500000000, -0.0000658900000000, -0.0002658800000000 ] - [ -0.0003974600000000, 0.0001608300000000, 0.0004697000000000 ] - [ 0.0011842000000000, -0.0018690800000000, -0.0007852600000000 ] - [ -0.0001332000000000, -0.0001387200000000, -0.0001973300000000 ] - [ -0.0029450400000000, -0.0000654200000000, -0.0002818000000000 ] - [ -0.0004313700000000, 0.0000392400000000, -0.0005244500000000 ] - [ 0.0000594900000000, -0.0000552800000000, -0.0010569800000000 ] - [ 0.0000481900000000, -0.0000591500000000, -0.0010656800000000 ] - [ -0.0002961400000000, -0.0005211900000000, 0.0006393400000000 ] - [ 0.0006603500000000, 0.0001029000000000, -0.0000961500000000 ] - [ 0.0017634300000000, 0.0003718900000000, 0.0002555700000000 ] - [ -0.0005224700000000, 0.0000223500000000, -0.0000725400000000 ] - [ -0.0006243600000000, -0.0002203200000000, -0.0001298400000000 ] - [ -0.0002722600000000, -0.0000771000000000, -0.0010073300000000 ] - [ 0.0004269500000000, -0.0004132600000000, 0.0001834400000000 ] - [ 0.0004251700000000, -0.0002113600000000, 0.0001315600000000 ] - [ 0.0001839100000000, 0.0000854100000000, -0.0004598600000000 ] - [ -0.0009051200000000, -0.0013127300000000, -0.0016344000000000 ] - [ -0.0002978600000000, 0.0000711900000000, 0.0000868600000000 ] - [ 0.0017201400000000, 0.0003855300000000, -0.0045529100000000 ] - [ -0.0003389600000000, 0.0000618600000000, 0.0000141600000000 ] - [ -0.0006225200000000, 0.0001809700000000, 0.0004083900000000 ] - [ -0.0001698600000000, 0.0003965100000000, 0.0002686000000000 ] - [ 0.0017740100000000, 0.0020710300000000, -0.0002276300000000 ] - [ 0.0002639400000000, 0.0000319000000000, -0.0001958100000000 ] - [ 0.0002522400000000, -0.0003635600000000, 0.0003520500000000 ] - [ 0.0008235700000000, -0.0003037800000000, 0.0005492000000000 ] - [ -0.0001762800000000, -0.0001285500000000, 0.0014241300000000 ] - [ 0.0000764300000000, -0.0002942100000000, 0.0002216600000000 ] - [ -0.0004602000000000, -0.0000671300000000, 0.0007747900000000 ]- atom: 89 displacement: [ 0.0030577532044204, 0.0000000000000000, -0.0095210369887348 ] forces: - [ 0.0021490800000000, 0.0013794100000000, -0.0040481900000000 ] - [ 0.0000198400000000, 0.0003622500000000, -0.0000608500000000 ] - [ -0.0000438700000000, -0.0025540600000000, -0.0061708700000000 ] - [ -0.0000579500000000, 0.0001554300000000, 0.0000027400000000 ] - [ 0.0001200300000000, 0.0001122500000000, 0.0002429500000000 ] - [ 0.0001611300000000, -0.0001441300000000, 0.0001073400000000 ] - [ -0.0001234900000000, -0.0011292000000000, 0.0010904900000000 ] - [ 0.0000794000000000, -0.0003390500000000, 0.0000256800000000 ] - [ 0.0002230000000000, -0.0007646600000000, -0.0007838300000000 ] - [ 0.0001164400000000, -0.0000458000000000, 0.0001999600000000 ] - [ -0.0006186700000000, 0.0004067600000000, 0.0008846400000000 ] - [ 0.0000539200000000, -0.0001183300000000, -0.0000369000000000 ] - [ -0.0019669300000000, -0.0000509400000000, 0.0024322300000000 ] - [ 0.0002623600000000, 0.0000613600000000, -0.0001783300000000 ] - [ 0.0000403100000000, 0.0000490900000000, 0.0002571700000000 ] - [ 0.0001866300000000, 0.0001442900000000, 0.0000442100000000 ] - [ 0.0012101000000000, 0.0001556500000000, -0.0027468600000000 ] - [ 0.0004869700000000, 0.0002717600000000, 0.0002208900000000 ] - [ -0.0008610200000000, 0.0012823800000000, 0.0013410300000000 ] - [ 0.0001739200000000, -0.0000309900000000, 0.0003071300000000 ] - [ 0.0000121400000000, -0.0005736100000000, 0.0013004000000000 ] - [ 0.0001774300000000, 0.0000299200000000, 0.0002228500000000 ] - [ 0.0007302000000000, 0.0007621500000000, -0.0032219400000000 ] - [ -0.0004327200000000, 0.0003519800000000, -0.0004099900000000 ] - [ 0.0009819000000000, -0.0004866300000000, -0.0000212900000000 ] - [ 0.0002575400000000, -0.0000585300000000, -0.0001721200000000 ] - [ 0.0001424600000000, 0.0004528100000000, 0.0003131500000000 ] - [ 0.0003547700000000, 0.0003392800000000, 0.0002818000000000 ] - [ 0.0003504200000000, -0.0003140200000000, 0.0009239400000000 ] - [ 0.0006414300000000, -0.0002838400000000, 0.0002799000000000 ] - [ 0.0001237000000000, 0.0000345900000000, -0.0005780300000000 ] - [ -0.0003616000000000, -0.0000034900000000, -0.0002340100000000 ] - [ 0.0007352900000000, 0.0012969400000000, 0.0003777900000000 ] - [ 0.0001112200000000, 0.0000232000000000, 0.0003236700000000 ] - [ -0.0008279300000000, 0.0000173900000000, -0.0002929300000000 ] - [ -0.0005090900000000, 0.0002760900000000, -0.0003918100000000 ] - [ -0.0006513900000000, -0.0003084600000000, 0.0010930100000000 ] - [ -0.0001785200000000, -0.0003601800000000, -0.0003195000000000 ] - [ -0.0001847600000000, 0.0000724700000000, 0.0000392200000000 ] - [ -0.0004326600000000, 0.0000358000000000, 0.0001857200000000 ] - [ 0.0004524600000000, -0.0003086900000000, 0.0005355600000000 ] - [ 0.0003081500000000, -0.0003484500000000, 0.0004369700000000 ] - [ -0.0003052900000000, 0.0001872800000000, -0.0005410100000000 ] - [ -0.0006139800000000, -0.0000048700000000, -0.0008148400000000 ] - [ -0.0003836500000000, 0.0001433400000000, -0.0000588300000000 ] - [ 0.0002495300000000, -0.0000084800000000, -0.0002900800000000 ] - [ -0.0001184500000000, -0.0006729800000000, 0.0000224200000000 ] - [ -0.0005918900000000, -0.0002754900000000, -0.0001164800000000 ] - [ -0.0000799800000000, -0.0001133400000000, -0.0003046600000000 ] - [ -0.0026456100000000, 0.0002648200000000, 0.0003200400000000 ] - [ -0.0003094600000000, -0.0000402200000000, 0.0003032100000000 ] - [ -0.0001019400000000, -0.0000589800000000, 0.0002927700000000 ] - [ 0.0000010900000000, 0.0001041500000000, -0.0000515300000000 ] - [ -0.0000959900000000, 0.0004721500000000, -0.0005684700000000 ] - [ -0.0000508200000000, 0.0002104000000000, 0.0000457000000000 ] - [ 0.0000037800000000, 0.0000309700000000, 0.0002048000000000 ] - [ -0.0001066700000000, 0.0003201800000000, 0.0000832500000000 ] - [ 0.0003185400000000, 0.0000210200000000, -0.0003510100000000 ] - [ -0.0002668600000000, 0.0001604900000000, 0.0001543500000000 ] - [ 0.0016187200000000, -0.0000549800000000, 0.0018782700000000 ] - [ 0.0000280100000000, -0.0001665700000000, 0.0001100700000000 ] - [ 0.0001835500000000, 0.0002244400000000, 0.0008907600000000 ] - [ 0.0000553500000000, -0.0003947600000000, -0.0000451300000000 ] - [ -0.0006947000000000, -0.0006200200000000, 0.0005156800000000 ] - [ 0.0083127000000000, 0.0007649100000000, -0.0281375400000000 ] - [ -0.0000263500000000, -0.0005960600000000, -0.0002180100000000 ] - [ -0.0009176100000000, 0.0005320300000000, 0.0036259200000000 ] - [ 0.0004997700000000, 0.0004316500000000, -0.0000604300000000 ] - [ 0.0008024600000000, -0.0007801600000000, -0.0017947800000000 ] - [ 0.0001370300000000, -0.0006470800000000, 0.0001477700000000 ] - [ 0.0000047200000000, 0.0006966100000000, 0.0009641500000000 ] - [ 0.0003091700000000, 0.0006805400000000, 0.0001954300000000 ] - [ -0.0011171900000000, -0.0017089200000000, -0.0005146000000000 ] - [ -0.0000825600000000, -0.0006062100000000, -0.0003155600000000 ] - [ 0.0007138000000000, -0.0001029500000000, 0.0002472900000000 ] - [ -0.0004819600000000, 0.0006466300000000, 0.0004123400000000 ] - [ -0.0003046300000000, -0.0005275600000000, 0.0000990300000000 ] - [ 0.0002281200000000, -0.0003803100000000, -0.0016917100000000 ] - [ -0.0001101800000000, 0.0004653400000000, 0.0002032700000000 ] - [ -0.0004547100000000, 0.0004998600000000, 0.0008170800000000 ] - [ 0.0049498300000000, -0.0124668400000000, 0.0008276300000000 ] - [ 0.0001036900000000, 0.0003691300000000, -0.0001548700000000 ] - [ -0.0005312100000000, 0.0001724400000000, 0.0005308200000000 ] - [ -0.0001884600000000, 0.0002119100000000, -0.0002897300000000 ] - [ -0.0055779500000000, 0.0128666200000000, -0.0028524400000000 ] - [ -0.0001171600000000, 0.0000566000000000, 0.0002786900000000 ] - [ 0.0003670900000000, -0.0007594600000000, -0.0048497800000000 ] - [ -0.0000268800000000, -0.0003043800000000, -0.0003459600000000 ] - [ -0.0079004400000000, 0.0006101000000000, 0.0394909800000000 ] - [ 0.0006355300000000, -0.0001990900000000, 0.0001125800000000 ] - [ -0.0000669300000000, -0.0001938200000000, -0.0007926600000000 ] - [ -0.0003985400000000, -0.0002057900000000, -0.0003670200000000 ] - [ 0.0025550900000000, 0.0004738700000000, -0.0037608000000000 ] - [ -0.0003474900000000, 0.0000049300000000, 0.0003582000000000 ] - [ 0.0002453100000000, -0.0013880800000000, 0.0020478500000000 ] - [ -0.0001859700000000, 0.0001833900000000, 0.0004930700000000 ] - [ 0.0017058800000000, 0.0000763300000000, -0.0037398600000000 ] - [ 0.0003570800000000, 0.0001356900000000, 0.0000158800000000 ] - [ 0.0002286300000000, -0.0000153000000000, 0.0013294100000000 ] - [ 0.0005520900000000, 0.0000037300000000, 0.0003162600000000 ] - [ 0.0002894700000000, 0.0005288400000000, -0.0007395400000000 ] - [ -0.0001579300000000, 0.0001326100000000, -0.0002089400000000 ] - [ -0.0000737800000000, -0.0005709600000000, -0.0004102800000000 ] - [ -0.0002800300000000, -0.0001734500000000, 0.0004273700000000 ] - [ 0.0006247600000000, -0.0001411400000000, -0.0003754300000000 ] - [ 0.0003205100000000, -0.0000386700000000, 0.0002457300000000 ] - [ -0.0006523100000000, 0.0003381100000000, 0.0007007000000000 ] - [ 0.0006157100000000, 0.0001119400000000, -0.0000408700000000 ] - [ -0.0014082000000000, 0.0015974800000000, 0.0003660800000000 ] - [ -0.0000839000000000, -0.0001346200000000, -0.0002264800000000 ] - [ 0.0020135500000000, 0.0000797700000000, -0.0003108100000000 ] - [ -0.0005007000000000, -0.0000308300000000, -0.0000637500000000 ] - [ 0.0003989900000000, 0.0004063100000000, 0.0001245700000000 ] - [ 0.0003900000000000, 0.0004157000000000, 0.0001481400000000 ] - [ 0.0005088100000000, 0.0002451000000000, -0.0002189300000000 ] - [ -0.0004491100000000, -0.0003698200000000, 0.0005098000000000 ] - [ -0.0026992800000000, -0.0003896400000000, -0.0008316900000000 ] - [ -0.0003948100000000, -0.0000387500000000, -0.0005098700000000 ] - [ -0.0003898400000000, -0.0001174000000000, -0.0000075000000000 ] - [ -0.0007398100000000, -0.0002541700000000, 0.0008711800000000 ] - [ 0.0000173600000000, 0.0000663000000000, -0.0011052800000000 ] - [ 0.0000286200000000, -0.0001378300000000, -0.0010561200000000 ] - [ 0.0002462200000000, -0.0000380500000000, -0.0001922400000000 ] - [ 0.0013426100000000, 0.0013640500000000, 0.0009881200000000 ] - [ 0.0008357800000000, 0.0003469600000000, 0.0005515900000000 ] - [ -0.0012816900000000, 0.0000599800000000, 0.0051572700000000 ] - [ -0.0006746000000000, 0.0002750800000000, -0.0001500500000000 ] - [ -0.0003892400000000, 0.0001592200000000, -0.0005444200000000 ] - [ 0.0000668600000000, 0.0002764700000000, 0.0002245300000000 ] - [ -0.0018676600000000, -0.0013936500000000, 0.0007218400000000 ] - [ 0.0001650000000000, -0.0000796600000000, -0.0004551300000000 ] - [ 0.0001800700000000, 0.0003186200000000, -0.0010052000000000 ] - [ -0.0002862800000000, -0.0001148400000000, 0.0000919800000000 ] - [ 0.0007274000000000, -0.0002961800000000, -0.0007801000000000 ] - [ -0.0001785000000000, -0.0003785300000000, 0.0002721700000000 ] - [ 0.0003592900000000, -0.0006033900000000, -0.0002785900000000 ]- atom: 95 displacement: [ 0.0099997439015081, 0.0000000000000000, 0.0000715674804079 ] forces: - [ -0.0007614700000000, 0.0022600500000000, 0.0020479600000000 ] - [ -0.0004020200000000, 0.0002264700000000, -0.0001765700000000 ] - [ 0.0038055400000000, 0.0006508900000000, 0.0005885000000000 ] - [ -0.0004493800000000, 0.0000138900000000, -0.0000689500000000 ] - [ 0.0041254400000000, -0.0000174000000000, -0.0009409200000000 ] - [ -0.0003646600000000, -0.0001164100000000, 0.0000975900000000 ] - [ 0.0005652000000000, -0.0005283300000000, -0.0000640900000000 ] - [ -0.0002673300000000, -0.0003363500000000, -0.0000701500000000 ] - [ 0.0018171500000000, -0.0007501100000000, 0.0000640200000000 ] - [ -0.0002932300000000, -0.0000580600000000, 0.0001469300000000 ] - [ 0.0003288000000000, -0.0003020200000000, 0.0002853000000000 ] - [ -0.0002809200000000, -0.0000837800000000, -0.0001833200000000 ] - [ 0.0012310200000000, -0.0002306200000000, -0.0001110600000000 ] - [ -0.0001584200000000, 0.0000707600000000, -0.0002620400000000 ] - [ 0.0001521400000000, -0.0003236900000000, 0.0015753700000000 ] - [ -0.0002808200000000, 0.0002359900000000, -0.0003003800000000 ] - [ 0.0047073900000000, 0.0043010800000000, 0.0039098000000000 ] - [ 0.0001123800000000, 0.0002733500000000, 0.0001531900000000 ] - [ 0.0054468500000000, 0.0007617800000000, -0.0016690100000000 ] - [ -0.0003382700000000, 0.0000590400000000, 0.0001963600000000 ] - [ 0.0005154300000000, -0.0000389200000000, 0.0013477400000000 ] - [ -0.0002243400000000, 0.0001185800000000, -0.0000209600000000 ] - [ 0.0001270700000000, -0.0001575900000000, -0.0003836400000000 ] - [ -0.0007101600000000, 0.0003393500000000, -0.0004114700000000 ] - [ 0.0008059000000000, 0.0000237000000000, 0.0000517800000000 ] - [ -0.0001033100000000, -0.0000796300000000, -0.0003236900000000 ] - [ 0.0124048600000000, -0.0061966000000000, -0.0025678400000000 ] - [ -0.0004377800000000, 0.0003207400000000, 0.0002342700000000 ] - [ 0.0008693300000000, -0.0001376200000000, 0.0005576100000000 ] - [ 0.0002169900000000, -0.0002836200000000, 0.0000532100000000 ] - [ -0.0000035000000000, 0.0001542400000000, -0.0004734600000000 ] - [ -0.0004219100000000, -0.0001723700000000, -0.0002913100000000 ] - [ 0.0008246400000000, -0.0002309900000000, 0.0008392000000000 ] - [ -0.0002094200000000, -0.0000114500000000, 0.0001774300000000 ] - [ -0.0005501200000000, 0.0016622400000000, -0.0002892200000000 ] - [ -0.0010235200000000, 0.0000997000000000, -0.0003976700000000 ] - [ -0.0000512000000000, -0.0005232300000000, 0.0000362500000000 ] - [ -0.0006836400000000, -0.0002633100000000, -0.0005586800000000 ] - [ -0.0012911100000000, 0.0011041100000000, -0.0018614300000000 ] - [ -0.0008756200000000, -0.0000139800000000, 0.0003728400000000 ] - [ 0.0008584800000000, -0.0004511000000000, 0.0006340700000000 ] - [ -0.0000999000000000, -0.0003614400000000, 0.0001632700000000 ] - [ -0.0014188100000000, -0.0011436100000000, -0.0006478800000000 ] - [ -0.0007157500000000, 0.0004273300000000, -0.0000684100000000 ] - [ -0.0009295600000000, -0.0004951900000000, 0.0004574800000000 ] - [ -0.0007174300000000, 0.0004348300000000, -0.0007350300000000 ] - [ -0.0000829500000000, -0.0000493100000000, -0.0004505200000000 ] - [ -0.0009177000000000, -0.0002727700000000, -0.0004498600000000 ] - [ -0.0003919400000000, -0.0002429800000000, -0.0002648600000000 ] - [ -0.0001803900000000, -0.0000857300000000, 0.0001403500000000 ] - [ -0.0009795500000000, 0.0001583300000000, 0.0009655300000000 ] - [ -0.0008294900000000, -0.0002593500000000, -0.0004598700000000 ] - [ -0.0003277300000000, 0.0004592300000000, -0.0002148000000000 ] - [ -0.0003661900000000, -0.0008075800000000, 0.0003923800000000 ] - [ -0.0001524500000000, 0.0000841500000000, -0.0001460600000000 ] - [ -0.0002073000000000, -0.0001187500000000, -0.0003493500000000 ] - [ -0.0003853300000000, 0.0006020100000000, 0.0000919600000000 ] - [ -0.0001620000000000, -0.0004942900000000, -0.0003724300000000 ] - [ -0.0004439400000000, 0.0001072500000000, -0.0000292000000000 ] - [ -0.0001322800000000, 0.0005908500000000, -0.0004872500000000 ] - [ -0.0002724000000000, -0.0002145800000000, 0.0000446000000000 ] - [ 0.0000486400000000, 0.0002283300000000, -0.0010145900000000 ] - [ -0.0003084700000000, -0.0004800800000000, -0.0004378800000000 ] - [ -0.0001448300000000, -0.0001187900000000, 0.0002923500000000 ] - [ 0.0007312100000000, -0.0002219300000000, 0.0000060400000000 ] - [ -0.0004668400000000, -0.0005428400000000, -0.0003424600000000 ] - [ 0.0005157500000000, 0.0008298000000000, 0.0003412800000000 ] - [ -0.0002331700000000, 0.0003948900000000, -0.0004072300000000 ] - [ 0.0374332400000000, 0.0147458400000000, -0.0196024600000000 ] - [ -0.0009325600000000, -0.0007179600000000, -0.0001251900000000 ] - [ 0.0025299300000000, 0.0013497600000000, 0.0019810100000000 ] - [ -0.0006115200000000, 0.0005300500000000, -0.0002316800000000 ] - [ -0.0009180200000000, -0.0012819500000000, -0.0004366800000000 ] - [ -0.0005845600000000, -0.0005963400000000, -0.0003572100000000 ] - [ -0.0001933800000000, 0.0001128200000000, -0.0006109400000000 ] - [ -0.0001710900000000, 0.0009770500000000, -0.0002820100000000 ] - [ -0.0020415600000000, -0.0008826800000000, 0.0000484900000000 ] - [ -0.0063433300000000, 0.0004417400000000, -0.0002401100000000 ] - [ -0.0007647800000000, 0.0003627200000000, -0.0001548100000000 ] - [ 0.0003268500000000, 0.0007561400000000, -0.0001560400000000 ] - [ -0.0005233100000000, 0.0005754100000000, -0.0007415400000000 ] - [ 0.0005895500000000, 0.0002911200000000, -0.0000146700000000 ] - [ 0.0107932800000000, 0.0128122200000000, -0.0063315800000000 ] - [ 0.0013234600000000, 0.0001523100000000, 0.0000900400000000 ] - [ -0.0009122700000000, 0.0001820900000000, 0.0004794000000000 ] - [ 0.0003526800000000, -0.0000083000000000, 0.0003743100000000 ] - [ -0.0023110300000000, -0.0001050800000000, 0.0000583100000000 ] - [ 0.0005419100000000, -0.0003109600000000, -0.0000778800000000 ] - [ -0.0016491300000000, -0.0008818100000000, -0.0011325000000000 ] - [ 0.0011703700000000, -0.0002124700000000, 0.0002395300000000 ] - [ -0.0020208300000000, -0.0000985000000000, -0.0004978400000000 ] - [ 0.0005448700000000, -0.0001976500000000, 0.0000134400000000 ] - [ -0.0004983900000000, -0.0003826300000000, -0.0004155700000000 ] - [ 0.0002376900000000, 0.0000807300000000, 0.0006112100000000 ] - [ -0.0638004500000000, -0.0238191500000000, 0.0340322000000000 ] - [ 0.0006303400000000, 0.0002033400000000, 0.0004895300000000 ] - [ -0.0001733500000000, -0.0000619800000000, -0.0003021800000000 ] - [ 0.0010478700000000, 0.0002790300000000, 0.0002995600000000 ] - [ -0.0053286800000000, -0.0037153900000000, 0.0029365500000000 ] - [ 0.0013591400000000, -0.0001105600000000, 0.0004970700000000 ] - [ -0.0027257100000000, -0.0011760900000000, -0.0018081600000000 ] - [ 0.0005764300000000, 0.0001919800000000, 0.0000539000000000 ] - [ -0.0010025800000000, -0.0002904800000000, -0.0005980900000000 ] - [ 0.0003220500000000, -0.0001474900000000, 0.0007544400000000 ] - [ -0.0001965700000000, -0.0008462300000000, -0.0032160400000000 ] - [ 0.0013253000000000, 0.0001359800000000, 0.0007340600000000 ] - [ 0.0003764400000000, 0.0007815700000000, 0.0011649000000000 ] - [ 0.0004544900000000, -0.0000733300000000, 0.0001912200000000 ] - [ -0.0048046200000000, 0.0001254200000000, -0.0082402200000000 ] - [ 0.0006154400000000, -0.0001383900000000, 0.0000593100000000 ] - [ 0.0000656800000000, 0.0016447400000000, -0.0005057000000000 ] - [ 0.0001817600000000, -0.0001902200000000, -0.0001284000000000 ] - [ 0.0002461400000000, 0.0001328600000000, -0.0001189200000000 ] - [ 0.0006828200000000, 0.0003540400000000, -0.0004951700000000 ] - [ 0.0003243900000000, 0.0000039700000000, -0.0001729400000000 ] - [ 0.0004539500000000, 0.0000149800000000, 0.0004670800000000 ] - [ -0.0008924700000000, 0.0002035400000000, -0.0003005900000000 ] - [ -0.0000781700000000, -0.0000899900000000, -0.0001160000000000 ] - [ 0.0023046400000000, -0.0010755700000000, 0.0006509200000000 ] - [ 0.0019450500000000, 0.0008651700000000, 0.0005344500000000 ] - [ 0.0002583400000000, -0.0000346300000000, -0.0007043200000000 ] - [ 0.0003927600000000, -0.0005207800000000, -0.0000311400000000 ] - [ 0.0017023900000000, 0.0001310700000000, 0.0003601000000000 ] - [ 0.0020440800000000, -0.0008376100000000, -0.0016955200000000 ] - [ 0.0010703200000000, 0.0005286600000000, 0.0004915100000000 ] - [ 0.0003731000000000, -0.0005533000000000, 0.0001498800000000 ] - [ -0.0004771600000000, 0.0001430500000000, 0.0001607600000000 ] - [ -0.0003462800000000, 0.0001673200000000, 0.0001956000000000 ] - [ 0.0010441300000000, 0.0005743800000000, -0.0000104800000000 ] - [ 0.0036248700000000, 0.0000825500000000, 0.0020176600000000 ] - [ 0.0006494500000000, -0.0001376400000000, -0.0003824400000000 ] - [ 0.0002625500000000, 0.0007685900000000, 0.0006204400000000 ] - [ 0.0006765200000000, -0.0001100300000000, 0.0005609400000000 ] - [ -0.0000083600000000, -0.0002148500000000, 0.0001987400000000 ] - [ 0.0003063200000000, -0.0005834200000000, 0.0007669700000000 ] - [ -0.0000121000000000, -0.0000753800000000, -0.0000096300000000 ]- atom: 95 displacement: [ -0.0099997439015081, 0.0000000000000000, -0.0000715674804079 ] forces: - [ 0.0008499600000000, -0.0015555800000000, -0.0020721200000000 ] - [ 0.0004884900000000, 0.0004766400000000, 0.0001415200000000 ] - [ -0.0037152000000000, -0.0004943700000000, -0.0005774000000000 ] - [ 0.0004388500000000, 0.0002603700000000, 0.0000306300000000 ] - [ -0.0037468100000000, -0.0002129200000000, 0.0011693500000000 ] - [ 0.0006966200000000, -0.0001738100000000, 0.0000471500000000 ] - [ -0.0004792000000000, -0.0001725200000000, 0.0000289400000000 ] - [ 0.0003528000000000, -0.0003663500000000, 0.0000337500000000 ] - [ -0.0015381900000000, 0.0006885600000000, 0.0003535500000000 ] - [ 0.0005665400000000, -0.0000221500000000, 0.0002650500000000 ] - [ -0.0003388100000000, 0.0000292000000000, -0.0003234500000000 ] - [ 0.0002690500000000, -0.0001899800000000, 0.0001454900000000 ] - [ -0.0007287000000000, 0.0003518300000000, -0.0002437500000000 ] - [ 0.0006623500000000, 0.0000492900000000, -0.0000929900000000 ] - [ 0.0001861800000000, 0.0006156000000000, -0.0014301200000000 ] - [ 0.0006123100000000, 0.0000532800000000, 0.0004481700000000 ] - [ -0.0035577200000000, -0.0037867800000000, -0.0034443000000000 ] - [ 0.0010144900000000, 0.0002777000000000, 0.0003335400000000 ] - [ -0.0052060900000000, -0.0008617300000000, 0.0023836000000000 ] - [ 0.0005962600000000, -0.0001081200000000, 0.0004360500000000 ] - [ -0.0002396900000000, 0.0001167400000000, -0.0009399300000000 ] - [ 0.0004971700000000, -0.0000388000000000, 0.0004335000000000 ] - [ -0.0007637700000000, 0.0008453000000000, -0.0003502900000000 ] - [ 0.0000764200000000, 0.0003490900000000, -0.0003235200000000 ] - [ -0.0003023100000000, -0.0001439800000000, -0.0004077000000000 ] - [ 0.0006070400000000, -0.0000405100000000, -0.0000309100000000 ] - [ -0.0122409200000000, 0.0072552400000000, 0.0035163900000000 ] - [ 0.0010733700000000, 0.0003672900000000, 0.0005010600000000 ] - [ 0.0002557400000000, -0.0004124800000000, -0.0000739400000000 ] - [ 0.0009094700000000, -0.0002674000000000, 0.0004329800000000 ] - [ -0.0002583300000000, -0.0002004000000000, -0.0001603300000000 ] - [ 0.0001656800000000, 0.0001234500000000, -0.0003407400000000 ] - [ -0.0005622900000000, 0.0002850900000000, -0.0002076400000000 ] - [ 0.0004676300000000, 0.0000603100000000, 0.0004555900000000 ] - [ -0.0005774000000000, -0.0011223500000000, -0.0001937900000000 ] - [ -0.0001010600000000, 0.0004509600000000, -0.0000887300000000 ] - [ -0.0005836300000000, -0.0001647100000000, -0.0007736700000000 ] - [ 0.0000495000000000, -0.0004248800000000, -0.0001768000000000 ] - [ 0.0007838700000000, -0.0009953100000000, 0.0022306500000000 ] - [ 0.0003740000000000, 0.0001340100000000, -0.0000173300000000 ] - [ -0.0002278300000000, -0.0002353700000000, 0.0000906300000000 ] - [ 0.0007358900000000, -0.0003273200000000, 0.0005722200000000 ] - [ 0.0011544000000000, 0.0010748200000000, 0.0002398200000000 ] - [ 0.0004436400000000, -0.0005066100000000, -0.0003424800000000 ] - [ 0.0006761200000000, 0.0005483700000000, -0.0010979000000000 ] - [ 0.0004599900000000, -0.0003854400000000, 0.0001016600000000 ] - [ -0.0010494600000000, -0.0005053400000000, -0.0000411300000000 ] - [ -0.0002067800000000, -0.0002779700000000, -0.0000366600000000 ] - [ 0.0000605100000000, -0.0000464300000000, 0.0001198800000000 ] - [ -0.0001487900000000, -0.0002044000000000, -0.0002858200000000 ] - [ 0.0004818700000000, -0.0002795900000000, -0.0006193700000000 ] - [ 0.0003286800000000, 0.0001381100000000, 0.0008140300000000 ] - [ 0.0003395300000000, -0.0001877800000000, 0.0002541700000000 ] - [ 0.0003802400000000, 0.0010810900000000, -0.0003537700000000 ] - [ -0.0001202800000000, -0.0000046200000000, -0.0002680800000000 ] - [ -0.0000636200000000, 0.0001986500000000, -0.0000628800000000 ] - [ 0.0003017000000000, 0.0000984200000000, -0.0000571200000000 ] - [ 0.0000793600000000, 0.0011967700000000, 0.0004074600000000 ] - [ 0.0001136500000000, 0.0001830500000000, -0.0001179800000000 ] - [ -0.0001979400000000, -0.0002986700000000, 0.0003397000000000 ] - [ 0.0002843600000000, -0.0000589700000000, -0.0000083100000000 ] - [ -0.0000332200000000, -0.0005035500000000, 0.0010508300000000 ] - [ 0.0002232700000000, -0.0002211000000000, 0.0004765900000000 ] - [ 0.0000620400000000, -0.0005838000000000, -0.0002562600000000 ] - [ -0.0002682100000000, -0.0007924800000000, -0.0002967100000000 ] - [ 0.0009269300000000, -0.0004736900000000, 0.0000488400000000 ] - [ -0.0000558700000000, 0.0001861100000000, -0.0006360500000000 ] - [ 0.0006910400000000, 0.0006231100000000, 0.0001121700000000 ] - [ -0.0371276800000000, -0.0156675500000000, 0.0193720200000000 ] - [ 0.0013418100000000, -0.0005942400000000, 0.0004518300000000 ] - [ -0.0021279300000000, -0.0000410100000000, -0.0016603700000000 ] - [ 0.0010178800000000, 0.0007819300000000, 0.0005566700000000 ] - [ 0.0005128200000000, -0.0000266700000000, 0.0001125100000000 ] - [ 0.0001801800000000, -0.0007152900000000, 0.0000316400000000 ] - [ -0.0002135000000000, 0.0011992300000000, 0.0002825500000000 ] - [ -0.0002326700000000, 0.0003355500000000, -0.0000441100000000 ] - [ 0.0015933800000000, -0.0001320800000000, 0.0002458500000000 ] - [ 0.0058776800000000, -0.0014741800000000, 0.0005413500000000 ] - [ 0.0003044400000000, 0.0006554300000000, 0.0004463600000000 ] - [ -0.0007813700000000, 0.0002597400000000, 0.0004515900000000 ] - [ 0.0006210100000000, 0.0000955600000000, 0.0002449700000000 ] - [ -0.0004879600000000, 0.0003823600000000, -0.0004792500000000 ] - [ -0.0112738700000000, -0.0122430300000000, 0.0056380600000000 ] - [ -0.0018691700000000, 0.0002693600000000, -0.0007325200000000 ] - [ 0.0004794000000000, -0.0001390500000000, 0.0001703800000000 ] - [ -0.0007837800000000, 0.0000553800000000, 0.0002778400000000 ] - [ 0.0024103200000000, -0.0005654500000000, -0.0005501500000000 ] - [ -0.0004399100000000, -0.0003634900000000, -0.0004136300000000 ] - [ 0.0026557900000000, 0.0005476800000000, 0.0012641800000000 ] - [ -0.0001591800000000, -0.0001241500000000, -0.0001037100000000 ] - [ 0.0014794300000000, -0.0003248000000000, -0.0001446300000000 ] - [ -0.0010840200000000, -0.0002231600000000, -0.0006539300000000 ] - [ 0.0000658300000000, 0.0003372500000000, 0.0010671300000000 ] - [ -0.0006678200000000, -0.0001283200000000, 0.0000400800000000 ] - [ 0.0636468700000000, 0.0234660600000000, -0.0330275900000000 ] - [ -0.0010814700000000, 0.0001444200000000, 0.0004340500000000 ] - [ 0.0011862700000000, 0.0003977700000000, 0.0004394900000000 ] - [ -0.0000357800000000, 0.0000563800000000, -0.0001634000000000 ] - [ 0.0062783600000000, 0.0036636000000000, -0.0022976000000000 ] - [ -0.0004421600000000, 0.0001266400000000, 0.0000848700000000 ] - [ 0.0025266800000000, 0.0014497900000000, 0.0013851500000000 ] - [ -0.0007931600000000, 0.0000820500000000, -0.0004781700000000 ] - [ 0.0005495900000000, -0.0000581000000000, 0.0015282400000000 ] - [ -0.0007724800000000, -0.0001997700000000, 0.0001694100000000 ] - [ 0.0011244800000000, 0.0008298900000000, 0.0038170000000000 ] - [ -0.0004066400000000, -0.0001509100000000, -0.0001510500000000 ] - [ -0.0001503000000000, -0.0005071300000000, -0.0007383200000000 ] - [ -0.0002388400000000, 0.0003475500000000, 0.0002336800000000 ] - [ 0.0045345000000000, -0.0003931100000000, 0.0078740600000000 ] - [ -0.0008337300000000, -0.0001355300000000, -0.0004852800000000 ] - [ -0.0009839400000000, -0.0016390100000000, -0.0000754800000000 ] - [ -0.0011003900000000, 0.0002041000000000, -0.0004551600000000 ] - [ 0.0002079300000000, 0.0002134100000000, -0.0008098600000000 ] - [ -0.0002326600000000, -0.0000060800000000, -0.0004292800000000 ] - [ -0.0001069900000000, -0.0002781600000000, 0.0005993800000000 ] - [ -0.0002378800000000, -0.0002893000000000, -0.0000428900000000 ] - [ -0.0000243300000000, -0.0002206200000000, -0.0002805100000000 ] - [ -0.0008407600000000, 0.0000743500000000, -0.0004676500000000 ] - [ -0.0033336000000000, 0.0007462300000000, -0.0007940800000000 ] - [ -0.0029566900000000, -0.0011993900000000, -0.0006711700000000 ] - [ 0.0001931900000000, -0.0003132900000000, -0.0002149300000000 ] - [ 0.0000569400000000, 0.0001720600000000, -0.0008919500000000 ] - [ -0.0012790900000000, -0.0000839600000000, -0.0010185600000000 ] - [ -0.0016140900000000, 0.0008867200000000, 0.0010386000000000 ] - [ -0.0005298900000000, -0.0001101600000000, 0.0001493500000000 ] - [ 0.0001664000000000, 0.0009715000000000, 0.0004886800000000 ] - [ -0.0005280700000000, 0.0001924700000000, -0.0002950500000000 ] - [ -0.0006681200000000, 0.0001706800000000, -0.0003327600000000 ] - [ -0.0011508600000000, 0.0000964100000000, 0.0005073100000000 ] - [ -0.0037112500000000, 0.0005962300000000, -0.0015150500000000 ] - [ -0.0002186000000000, 0.0000907500000000, -0.0002663500000000 ] - [ 0.0001658700000000, -0.0008176800000000, -0.0012750000000000 ] - [ -0.0001331900000000, -0.0003108500000000, 0.0000812300000000 ] - [ 0.0005474600000000, -0.0002069300000000, 0.0004422300000000 ] - [ -0.0004040900000000, -0.0000878900000000, -0.0002746400000000 ] - [ -0.0000914800000000, -0.0005983200000000, 0.0005013100000000 ]- atom: 95 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021621600000000, 0.0008513700000000, -0.0016188300000000 ] - [ -0.0001114400000000, 0.0004776100000000, -0.0000276400000000 ] - [ 0.0000260000000000, 0.0036507400000000, -0.0004543200000000 ] - [ -0.0001062500000000, 0.0002488800000000, -0.0000363200000000 ] - [ 0.0006803500000000, 0.0025365000000000, -0.0007681000000000 ] - [ 0.0002201100000000, -0.0000872800000000, 0.0000751600000000 ] - [ -0.0000589200000000, -0.0013001900000000, -0.0002762400000000 ] - [ 0.0000446500000000, -0.0004991500000000, -0.0000093100000000 ] - [ -0.0009549400000000, -0.0045128000000000, -0.0008500300000000 ] - [ 0.0001413000000000, -0.0001245900000000, 0.0002002900000000 ] - [ -0.0001512600000000, -0.0007015100000000, 0.0000408500000000 ] - [ 0.0000451100000000, -0.0003415700000000, 0.0000245900000000 ] - [ 0.0001784400000000, -0.0018570200000000, 0.0003903600000000 ] - [ 0.0002417900000000, 0.0000321100000000, -0.0001902400000000 ] - [ -0.0003819500000000, 0.0003639800000000, 0.0009086800000000 ] - [ 0.0003033800000000, 0.0002250100000000, 0.0001150500000000 ] - [ 0.0037352500000000, 0.0139419400000000, 0.0098198100000000 ] - [ 0.0005628900000000, 0.0003720600000000, 0.0002564700000000 ] - [ 0.0020077900000000, 0.0052772600000000, -0.0026871100000000 ] - [ 0.0001229700000000, 0.0000864000000000, 0.0002879400000000 ] - [ 0.0000887400000000, 0.0008698800000000, 0.0008310200000000 ] - [ 0.0001011700000000, 0.0001665700000000, 0.0001791800000000 ] - [ -0.0009590800000000, -0.0016257600000000, -0.0005936400000000 ] - [ -0.0002995500000000, 0.0003021600000000, -0.0003606300000000 ] - [ 0.0004667100000000, -0.0006967800000000, -0.0006527300000000 ] - [ 0.0002288500000000, -0.0000969900000000, -0.0001659700000000 ] - [ -0.0052889300000000, 0.0069947200000000, 0.0021109200000000 ] - [ 0.0002020300000000, 0.0004095900000000, 0.0003196100000000 ] - [ 0.0007257900000000, -0.0010420900000000, 0.0002717000000000 ] - [ 0.0005426700000000, -0.0003911500000000, 0.0002256600000000 ] - [ 0.0003617800000000, -0.0011062200000000, -0.0000377900000000 ] - [ -0.0002196900000000, -0.0002364100000000, -0.0003153800000000 ] - [ -0.0003325300000000, -0.0012572100000000, 0.0008090800000000 ] - [ 0.0001286400000000, -0.0000638200000000, 0.0003134300000000 ] - [ 0.0002427100000000, -0.0010937100000000, -0.0004453300000000 ] - [ -0.0006831800000000, 0.0000744300000000, -0.0002890800000000 ] - [ -0.0006076500000000, -0.0007686100000000, -0.0000955700000000 ] - [ -0.0002551600000000, -0.0003906800000000, -0.0003614300000000 ] - [ 0.0012380800000000, 0.0009021200000000, 0.0009166900000000 ] - [ -0.0004899900000000, 0.0001251300000000, 0.0002624600000000 ] - [ 0.0003166500000000, 0.0001260500000000, 0.0014671000000000 ] - [ 0.0002411500000000, -0.0003068300000000, 0.0003409500000000 ] - [ -0.0016445200000000, 0.0000931000000000, -0.0004594100000000 ] - [ 0.0002160400000000, 0.0001570900000000, -0.0003097200000000 ] - [ -0.0010277500000000, 0.0005414400000000, -0.0000792500000000 ] - [ 0.0002711500000000, 0.0002185900000000, -0.0002101700000000 ] - [ -0.0006748700000000, 0.0008024100000000, -0.0011671800000000 ] - [ -0.0005214000000000, -0.0001185200000000, -0.0001824700000000 ] - [ -0.0004478500000000, -0.0004599400000000, -0.0000749200000000 ] - [ 0.0000683300000000, -0.0003713700000000, -0.0000643200000000 ] - [ 0.0002047900000000, 0.0001162800000000, -0.0000609200000000 ] - [ -0.0005629100000000, 0.0001137200000000, 0.0000203500000000 ] - [ 0.0003181500000000, -0.0001977600000000, 0.0000787900000000 ] - [ -0.0005438600000000, -0.0006963400000000, 0.0001790800000000 ] - [ -0.0001057000000000, -0.0003147100000000, -0.0001051600000000 ] - [ -0.0001948400000000, -0.0003121500000000, -0.0002790000000000 ] - [ 0.0001196400000000, 0.0000679800000000, -0.0000189300000000 ] - [ -0.0005165400000000, -0.0004449000000000, -0.0002685700000000 ] - [ -0.0003503000000000, 0.0000460400000000, -0.0001051200000000 ] - [ 0.0004145600000000, -0.0006118500000000, 0.0003077100000000 ] - [ -0.0000828200000000, 0.0001190200000000, -0.0000445900000000 ] - [ 0.0006133300000000, 0.0009045600000000, 0.0007677000000000 ] - [ -0.0002915300000000, 0.0001716500000000, -0.0001238200000000 ] - [ 0.0000906200000000, 0.0000889900000000, 0.0001831200000000 ] - [ 0.0018172200000000, -0.0038310800000000, 0.0002701700000000 ] - [ -0.0001346300000000, -0.0007500200000000, -0.0002629500000000 ] - [ 0.0001969300000000, -0.0010113900000000, 0.0013827200000000 ] - [ -0.0000726000000000, 0.0005293100000000, -0.0003241700000000 ] - [ 0.0157061000000000, 0.0531978200000000, -0.0341372400000000 ] - [ 0.0002765100000000, -0.0005085200000000, 0.0002189900000000 ] - [ 0.0008782400000000, 0.0022149100000000, -0.0010762100000000 ] - [ 0.0002679200000000, 0.0006605000000000, 0.0001681300000000 ] - [ -0.0011571000000000, -0.0025387300000000, -0.0007376700000000 ] - [ 0.0006177000000000, -0.0011552600000000, 0.0000854200000000 ] - [ 0.0000389700000000, -0.0005880600000000, -0.0013991600000000 ] - [ 0.0001808900000000, 0.0006073200000000, 0.0001310100000000 ] - [ 0.0004641500000000, 0.0006310100000000, 0.0003684900000000 ] - [ -0.0046799500000000, 0.0035031000000000, -0.0022515100000000 ] - [ -0.0000620700000000, 0.0006777100000000, 0.0005122500000000 ] - [ -0.0005908400000000, 0.0008094000000000, -0.0004456300000000 ] - [ -0.0000176700000000, 0.0026899900000000, 0.0004331900000000 ] - [ 0.0000986000000000, 0.0006432500000000, -0.0001753400000000 ] - [ 0.0136357500000000, 0.0032504900000000, -0.0039245200000000 ] - [ -0.0005916600000000, 0.0000102400000000, -0.0004361800000000 ] - [ -0.0001333400000000, 0.0026027400000000, 0.0000177800000000 ] - [ -0.0001210100000000, 0.0002694200000000, 0.0002946600000000 ] - [ -0.0009172800000000, 0.0015997200000000, -0.0031390700000000 ] - [ 0.0001545000000000, -0.0004449000000000, -0.0001427700000000 ] - [ -0.0020143600000000, 0.0046312100000000, 0.0008926500000000 ] - [ 0.0006164600000000, -0.0001806800000000, 0.0000939100000000 ] - [ -0.0002592200000000, -0.0009745300000000, 0.0003213100000000 ] - [ -0.0004236800000000, -0.0003540000000000, -0.0004027000000000 ] - [ -0.0003869300000000, 0.0000270600000000, -0.0000458400000000 ] - [ 0.0000265200000000, -0.0000853500000000, 0.0004158400000000 ] - [ -0.0245042100000000, -0.0935576800000000, 0.0417715600000000 ] - [ -0.0001959300000000, -0.0000071900000000, 0.0004686700000000 ] - [ 0.0007228800000000, 0.0014827400000000, -0.0002780400000000 ] - [ 0.0006034000000000, 0.0003333000000000, 0.0000995300000000 ] - [ -0.0017258000000000, 0.0112723600000000, -0.0125375900000000 ] - [ 0.0005542900000000, 0.0000203500000000, 0.0002818700000000 ] - [ -0.0009016200000000, 0.0015036000000000, 0.0022966500000000 ] - [ -0.0000742500000000, 0.0002032100000000, -0.0001690000000000 ] - [ -0.0001067500000000, -0.0002244400000000, 0.0001554700000000 ] - [ -0.0002515000000000, -0.0001088400000000, 0.0004566300000000 ] - [ 0.0006787700000000, -0.0028938800000000, 0.0005999000000000 ] - [ 0.0004938000000000, -0.0001485100000000, 0.0003483400000000 ] - [ 0.0023042100000000, 0.0014137000000000, 0.0027349200000000 ] - [ -0.0000286600000000, 0.0000166000000000, 0.0000707400000000 ] - [ -0.0003901300000000, -0.0074360300000000, 0.0002433800000000 ] - [ -0.0001062700000000, -0.0003114900000000, -0.0002678600000000 ] - [ 0.0016462700000000, 0.0021216500000000, -0.0004025300000000 ] - [ -0.0006980200000000, 0.0000168800000000, -0.0003114400000000 ] - [ 0.0002622100000000, 0.0017937900000000, -0.0001778400000000 ] - [ 0.0000450700000000, 0.0007135300000000, -0.0003456900000000 ] - [ 0.0002165000000000, 0.0011294300000000, 0.0000424800000000 ] - [ 0.0000001300000000, 0.0004093000000000, 0.0001101300000000 ] - [ -0.0005965000000000, 0.0013070700000000, -0.0000962100000000 ] - [ -0.0005700900000000, 0.0002434500000000, -0.0003450700000000 ] - [ -0.0025324200000000, -0.0000830600000000, -0.0004773000000000 ] - [ 0.0011903700000000, -0.0002411300000000, 0.0007261600000000 ] - [ 0.0003627100000000, -0.0001359000000000, -0.0001505300000000 ] - [ -0.0001187600000000, -0.0002180800000000, -0.0007081200000000 ] - [ 0.0001719600000000, -0.0010446400000000, -0.0003874900000000 ] - [ 0.0010667300000000, -0.0018981200000000, -0.0007198000000000 ] - [ 0.0009154600000000, 0.0006635200000000, 0.0005265300000000 ] - [ -0.0010093800000000, 0.0013498200000000, 0.0002533900000000 ] - [ -0.0007788200000000, -0.0004874600000000, -0.0004072700000000 ] - [ -0.0003103200000000, -0.0004135900000000, -0.0000436100000000 ] - [ -0.0000431100000000, -0.0004261700000000, 0.0004441000000000 ] - [ -0.0005281100000000, -0.0029823400000000, 0.0008732300000000 ] - [ 0.0001037300000000, 0.0001236200000000, -0.0004467500000000 ] - [ 0.0008421000000000, 0.0006164000000000, 0.0005253700000000 ] - [ 0.0006756800000000, 0.0002631400000000, 0.0007329900000000 ] - [ -0.0002876600000000, 0.0003866000000000, -0.0001798500000000 ] - [ -0.0005490200000000, -0.0002140200000000, -0.0002275500000000 ] - [ 0.0002285700000000, -0.0001316200000000, 0.0002974400000000 ]- atom: 95 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020754600000000, -0.0001693700000000, 0.0015864800000000 ] - [ 0.0001966700000000, 0.0002231000000000, -0.0000082400000000 ] - [ 0.0000985900000000, -0.0035189600000000, 0.0004746700000000 ] - [ 0.0000943800000000, 0.0000231900000000, -0.0000015500000000 ] - [ -0.0002980100000000, -0.0027841600000000, 0.0009882000000000 ] - [ 0.0001104800000000, -0.0002033200000000, 0.0000708200000000 ] - [ 0.0001430900000000, 0.0005992900000000, 0.0002387800000000 ] - [ 0.0000404200000000, -0.0002034200000000, -0.0000264000000000 ] - [ 0.0012176700000000, 0.0044075300000000, 0.0012609500000000 ] - [ 0.0001309900000000, 0.0000443800000000, 0.0002120600000000 ] - [ 0.0001383000000000, 0.0004295500000000, -0.0000791700000000 ] - [ -0.0000566300000000, 0.0000680000000000, -0.0000624200000000 ] - [ 0.0003251900000000, 0.0019859600000000, -0.0007511400000000 ] - [ 0.0002615800000000, 0.0000873800000000, -0.0001643300000000 ] - [ 0.0007190300000000, -0.0000693800000000, -0.0007665100000000 ] - [ 0.0000272300000000, 0.0000645800000000, 0.0000303800000000 ] - [ -0.0028025400000000, -0.0138450800000000, -0.0098072100000000 ] - [ 0.0005633100000000, 0.0001775400000000, 0.0002300400000000 ] - [ -0.0018199800000000, -0.0053967000000000, 0.0034808400000000 ] - [ 0.0001348000000000, -0.0001365700000000, 0.0003447900000000 ] - [ 0.0001871500000000, -0.0007953400000000, -0.0004256100000000 ] - [ 0.0001711700000000, -0.0000875700000000, 0.0002331400000000 ] - [ 0.0003283800000000, 0.0023231300000000, -0.0001407800000000 ] - [ -0.0003352100000000, 0.0003857700000000, -0.0003745900000000 ] - [ 0.0000332000000000, 0.0005755300000000, 0.0003008700000000 ] - [ 0.0002745400000000, -0.0000241500000000, -0.0001887500000000 ] - [ 0.0057287300000000, -0.0062443000000000, -0.0012909900000000 ] - [ 0.0004342000000000, 0.0002785300000000, 0.0004161300000000 ] - [ 0.0003996800000000, 0.0004928000000000, 0.0002144600000000 ] - [ 0.0005832500000000, -0.0001598000000000, 0.0002606800000000 ] - [ -0.0006178700000000, 0.0010588800000000, -0.0005943200000000 ] - [ -0.0000372200000000, 0.0001879000000000, -0.0003169600000000 ] - [ 0.0005894600000000, 0.0013106800000000, -0.0001767800000000 ] - [ 0.0001289600000000, 0.0001125500000000, 0.0003191400000000 ] - [ -0.0013674000000000, 0.0016464900000000, -0.0000420200000000 ] - [ -0.0004421600000000, 0.0004767500000000, -0.0001970600000000 ] - [ -0.0000261800000000, 0.0000798900000000, -0.0006407900000000 ] - [ -0.0003798400000000, -0.0002987500000000, -0.0003740300000000 ] - [ -0.0017470100000000, -0.0007755200000000, -0.0005672600000000 ] - [ -0.0000115100000000, -0.0000051300000000, 0.0000920600000000 ] - [ 0.0003135400000000, -0.0008096900000000, -0.0007379200000000 ] - [ 0.0003942900000000, -0.0003825300000000, 0.0003945400000000 ] - [ 0.0013768000000000, -0.0001793300000000, 0.0000473900000000 ] - [ -0.0004883300000000, -0.0002402600000000, -0.0001012000000000 ] - [ 0.0007724400000000, -0.0004962600000000, -0.0005533900000000 ] - [ -0.0005298300000000, -0.0001724900000000, -0.0004225700000000 ] - [ -0.0004559500000000, -0.0013648300000000, 0.0006821000000000 ] - [ -0.0006039600000000, -0.0004333100000000, -0.0003040700000000 ] - [ 0.0001191300000000, 0.0001696100000000, -0.0000708700000000 ] - [ -0.0004000600000000, 0.0000802100000000, -0.0000807900000000 ] - [ -0.0007082400000000, -0.0002374100000000, 0.0004144400000000 ] - [ 0.0000604800000000, -0.0002344500000000, 0.0003354400000000 ] - [ -0.0003055400000000, 0.0004719900000000, -0.0000408900000000 ] - [ 0.0005569700000000, 0.0009728500000000, -0.0001411300000000 ] - [ -0.0001658600000000, 0.0003953100000000, -0.0003062300000000 ] - [ -0.0000771400000000, 0.0003923500000000, -0.0001336200000000 ] - [ -0.0002039700000000, 0.0006347300000000, 0.0000547900000000 ] - [ 0.0004314100000000, 0.0011496200000000, 0.0003047500000000 ] - [ 0.0000204500000000, 0.0002434100000000, -0.0000406000000000 ] - [ -0.0007474700000000, 0.0009039100000000, -0.0004567300000000 ] - [ 0.0000946400000000, -0.0003944900000000, 0.0000825100000000 ] - [ -0.0006011100000000, -0.0011827100000000, -0.0007310900000000 ] - [ 0.0002069300000000, -0.0008771700000000, 0.0001596700000000 ] - [ -0.0001735500000000, -0.0007937200000000, -0.0001483200000000 ] - [ -0.0013657600000000, 0.0028225500000000, -0.0005645500000000 ] - [ 0.0005955300000000, -0.0002670800000000, -0.0000309300000000 ] - [ 0.0002612100000000, 0.0020280800000000, -0.0016824600000000 ] - [ 0.0005333700000000, 0.0004863900000000, 0.0000303800000000 ] - [ -0.0143507000000000, -0.0535073800000000, 0.0324672000000000 ] - [ 0.0001293800000000, -0.0008049100000000, 0.0001064500000000 ] - [ -0.0004721200000000, -0.0008958100000000, 0.0014003200000000 ] - [ 0.0001384200000000, 0.0006515900000000, 0.0001574100000000 ] - [ 0.0007547900000000, 0.0012290800000000, 0.0004118700000000 ] - [ -0.0010275700000000, -0.0001562900000000, -0.0004117600000000 ] - [ -0.0004448700000000, 0.0019011400000000, 0.0010805500000000 ] - [ -0.0005875700000000, 0.0007036100000000, -0.0004580700000000 ] - [ -0.0009240000000000, -0.0016489000000000, -0.0000728500000000 ] - [ 0.0042417000000000, -0.0045199200000000, 0.0025475200000000 ] - [ -0.0003979200000000, 0.0003406900000000, -0.0002184000000000 ] - [ 0.0001351400000000, 0.0002066100000000, 0.0007396200000000 ] - [ 0.0001232800000000, -0.0020239300000000, -0.0009293900000000 ] - [ 0.0000015700000000, 0.0000286800000000, -0.0003176800000000 ] - [ -0.0141091200000000, -0.0028621700000000, 0.0032541500000000 ] - [ 0.0000517600000000, 0.0004074600000000, -0.0002045100000000 ] - [ -0.0002942900000000, -0.0025608200000000, 0.0006372600000000 ] - [ -0.0003107900000000, -0.0002240700000000, 0.0003572200000000 ] - [ 0.0010181300000000, -0.0022731300000000, 0.0026560600000000 ] - [ -0.0000539000000000, -0.0002287300000000, -0.0003498900000000 ] - [ 0.0030406300000000, -0.0049836000000000, -0.0007631600000000 ] - [ 0.0003951500000000, -0.0001561100000000, 0.0000422600000000 ] - [ -0.0002840000000000, 0.0005524400000000, -0.0009615800000000 ] - [ -0.0001168500000000, -0.0000654800000000, -0.0002380300000000 ] - [ -0.0000453000000000, -0.0000691200000000, 0.0007005400000000 ] - [ -0.0004592300000000, 0.0000389800000000, 0.0002358400000000 ] - [ 0.0233730800000000, 0.0935569600000000, -0.0386996000000000 ] - [ -0.0002548600000000, 0.0003555200000000, 0.0004546100000000 ] - [ 0.0002909200000000, -0.0011473400000000, 0.0004169900000000 ] - [ 0.0004081500000000, 0.0000021100000000, 0.0000364700000000 ] - [ 0.0026124100000000, -0.0111931400000000, 0.0129930500000000 ] - [ 0.0003637900000000, -0.0000061600000000, 0.0003013200000000 ] - [ 0.0006811800000000, -0.0012354800000000, -0.0027146800000000 ] - [ -0.0001427100000000, 0.0000688600000000, -0.0002551500000000 ] - [ -0.0003434800000000, -0.0001310000000000, 0.0007701800000000 ] - [ -0.0001993400000000, -0.0002404100000000, 0.0004670200000000 ] - [ 0.0002435300000000, 0.0028795400000000, -0.0000172800000000 ] - [ 0.0004241300000000, 0.0001329000000000, 0.0002343400000000 ] - [ -0.0021034800000000, -0.0011442000000000, -0.0023250100000000 ] - [ 0.0002449500000000, 0.0002580200000000, 0.0003547600000000 ] - [ 0.0001398400000000, 0.0071587700000000, -0.0005352600000000 ] - [ -0.0001106700000000, 0.0000379200000000, -0.0001560600000000 ] - [ -0.0025742500000000, -0.0021120000000000, -0.0001782900000000 ] - [ -0.0002199500000000, -0.0000018500000000, -0.0002718400000000 ] - [ 0.0001854600000000, -0.0014494600000000, -0.0007450400000000 ] - [ 0.0004067300000000, -0.0003677200000000, -0.0005783600000000 ] - [ -0.0000010100000000, -0.0014062200000000, 0.0003827400000000 ] - [ 0.0002176500000000, -0.0006848500000000, 0.0003142600000000 ] - [ -0.0003230900000000, -0.0013237900000000, -0.0004907300000000 ] - [ -0.0003486100000000, -0.0002596600000000, -0.0002382300000000 ] - [ 0.0015228200000000, -0.0002566100000000, 0.0003402400000000 ] - [ -0.0022061900000000, -0.0000981900000000, -0.0008633100000000 ] - [ 0.0000884700000000, -0.0002092700000000, -0.0007741800000000 ] - [ 0.0005703000000000, -0.0001298900000000, -0.0002145700000000 ] - [ 0.0002621800000000, 0.0010928400000000, -0.0002634200000000 ] - [ -0.0006409800000000, 0.0019452300000000, 0.0000671500000000 ] - [ -0.0003776700000000, -0.0002459000000000, 0.0001134300000000 ] - [ 0.0015572300000000, -0.0009345500000000, 0.0003870500000000 ] - [ -0.0002298500000000, 0.0008225500000000, 0.0002726800000000 ] - [ -0.0007040000000000, 0.0007514600000000, -0.0000927400000000 ] - [ -0.0000579500000000, 0.0010998400000000, 0.0000484600000000 ] - [ 0.0004166500000000, 0.0036652400000000, -0.0003873200000000 ] - [ 0.0003272200000000, -0.0001730700000000, -0.0002043700000000 ] - [ -0.0004123300000000, -0.0006663600000000, -0.0011782600000000 ] - [ -0.0001372400000000, -0.0006833200000000, -0.0000950200000000 ] - [ 0.0008296600000000, -0.0008067900000000, 0.0008224400000000 ] - [ 0.0004473800000000, -0.0004629900000000, 0.0007202700000000 ] - [ -0.0003316600000000, -0.0005446500000000, 0.0001960800000000 ]- atom: 95 displacement: [ -0.0030577532044204, 0.0000000000000000, 0.0095210369887348 ] forces: - [ 0.0025608200000000, -0.0020684300000000, -0.0006388400000000 ] - [ 0.0000384200000000, 0.0003807800000000, 0.0000837800000000 ] - [ -0.0008874500000000, 0.0000437200000000, 0.0031387000000000 ] - [ 0.0001253500000000, 0.0001967400000000, -0.0000177600000000 ] - [ -0.0004079800000000, 0.0001247100000000, 0.0030298200000000 ] - [ 0.0003350200000000, -0.0001717100000000, -0.0000710700000000 ] - [ -0.0001146900000000, -0.0005792800000000, 0.0000530100000000 ] - [ 0.0000656900000000, -0.0003558700000000, -0.0000921300000000 ] - [ -0.0003567400000000, 0.0003047100000000, 0.0019647600000000 ] - [ 0.0002413700000000, -0.0000566800000000, 0.0001935100000000 ] - [ 0.0001765900000000, -0.0000115800000000, -0.0004564600000000 ] - [ -0.0000908400000000, -0.0001292200000000, -0.0000056800000000 ] - [ -0.0000605900000000, 0.0012559500000000, 0.0004541800000000 ] - [ 0.0002937500000000, 0.0000666900000000, -0.0001972500000000 ] - [ 0.0017111500000000, 0.0009961500000000, -0.0014831200000000 ] - [ 0.0000583100000000, 0.0001288200000000, 0.0002334700000000 ] - [ 0.0013208200000000, 0.0058442800000000, 0.0090020600000000 ] - [ 0.0006508900000000, 0.0002544400000000, 0.0002257600000000 ] - [ -0.0051594300000000, -0.0032777000000000, 0.0083082900000000 ] - [ 0.0001543900000000, -0.0000393800000000, 0.0003156900000000 ] - [ 0.0010100500000000, -0.0000603700000000, -0.0026670600000000 ] - [ 0.0000622300000000, 0.0000368000000000, 0.0002175500000000 ] - [ -0.0007629000000000, -0.0002230400000000, 0.0001304700000000 ] - [ -0.0002533900000000, 0.0003491700000000, -0.0004056800000000 ] - [ 0.0004864600000000, -0.0004166800000000, -0.0006727500000000 ] - [ 0.0002030100000000, -0.0000569200000000, -0.0001600600000000 ] - [ -0.0071344600000000, 0.0048641200000000, 0.0057687800000000 ] - [ 0.0004526800000000, 0.0003238100000000, 0.0004535300000000 ] - [ 0.0007224100000000, -0.0004248400000000, -0.0001322600000000 ] - [ 0.0005183500000000, -0.0002689400000000, 0.0002800500000000 ] - [ -0.0006244000000000, 0.0003458700000000, -0.0003796600000000 ] - [ -0.0000274400000000, 0.0000314600000000, -0.0004623300000000 ] - [ 0.0004082200000000, 0.0008350600000000, -0.0001528700000000 ] - [ 0.0001277500000000, 0.0000225300000000, 0.0003310800000000 ] - [ -0.0005398400000000, -0.0006770800000000, 0.0004429200000000 ] - [ -0.0004565400000000, 0.0003682300000000, -0.0001647300000000 ] - [ 0.0001652300000000, 0.0000213800000000, -0.0009368300000000 ] - [ -0.0004038500000000, -0.0003218200000000, -0.0003284400000000 ] - [ -0.0018616800000000, 0.0001358400000000, 0.0007669900000000 ] - [ 0.0001061700000000, 0.0001099700000000, -0.0000384500000000 ] - [ -0.0000483100000000, 0.0004479600000000, -0.0018416600000000 ] - [ 0.0002702100000000, -0.0003461600000000, 0.0003183800000000 ] - [ -0.0000934800000000, 0.0001518800000000, 0.0007043500000000 ] - [ 0.0000957500000000, -0.0002253700000000, 0.0000114100000000 ] - [ 0.0014022300000000, 0.0004170700000000, -0.0008581100000000 ] - [ -0.0003507900000000, 0.0000179800000000, -0.0001872800000000 ] - [ -0.0015385300000000, -0.0010221800000000, -0.0020928300000000 ] - [ -0.0006179400000000, -0.0002842300000000, -0.0003556800000000 ] - [ -0.0003707200000000, -0.0001946500000000, 0.0001436000000000 ] - [ 0.0000546000000000, -0.0002110800000000, -0.0002764500000000 ] - [ 0.0006315200000000, -0.0002928000000000, -0.0006338800000000 ] - [ -0.0006657700000000, -0.0001154000000000, 0.0003369700000000 ] - [ -0.0000769900000000, 0.0000361300000000, 0.0002635700000000 ] - [ 0.0005116000000000, 0.0007333400000000, -0.0000998500000000 ] - [ -0.0000844300000000, 0.0000251100000000, -0.0005060600000000 ] - [ -0.0002375500000000, 0.0000583600000000, -0.0002333600000000 ] - [ 0.0001494700000000, 0.0001920700000000, -0.0000496600000000 ] - [ -0.0001008200000000, 0.0004803600000000, 0.0006145500000000 ] - [ -0.0000055300000000, 0.0001558600000000, -0.0002607000000000 ] - [ -0.0005473300000000, 0.0004601300000000, 0.0001977500000000 ] - [ 0.0000360900000000, -0.0001416900000000, -0.0003168800000000 ] - [ -0.0011858400000000, -0.0000253000000000, -0.0009463300000000 ] - [ -0.0004888200000000, -0.0003627300000000, 0.0000269500000000 ] - [ 0.0003541300000000, -0.0004734700000000, -0.0005697900000000 ] - [ 0.0006379600000000, -0.0006850300000000, 0.0005628900000000 ] - [ 0.0004095100000000, -0.0004301000000000, -0.0000523500000000 ] - [ 0.0007064100000000, 0.0014147400000000, -0.0027757400000000 ] - [ 0.0000237200000000, 0.0005748900000000, -0.0002810500000000 ] - [ -0.0292022600000000, -0.0354247000000000, 0.0732688200000000 ] - [ 0.0004915300000000, -0.0006161500000000, 0.0002331300000000 ] - [ 0.0000804800000000, -0.0012996100000000, -0.0031116200000000 ] - [ 0.0000823800000000, 0.0006755800000000, 0.0001579300000000 ] - [ 0.0004311100000000, 0.0002336400000000, 0.0004560800000000 ] - [ -0.0001695900000000, -0.0006552200000000, 0.0000319200000000 ] - [ -0.0002257800000000, 0.0002442000000000, -0.0011560100000000 ] - [ -0.0004149700000000, 0.0005809800000000, -0.0005671700000000 ] - [ 0.0004761200000000, 0.0001301200000000, 0.0008356300000000 ] - [ 0.0034191900000000, -0.0027334300000000, 0.0032168300000000 ] - [ -0.0005926300000000, 0.0008663100000000, -0.0003510500000000 ] - [ -0.0007798900000000, 0.0001449500000000, -0.0010933900000000 ] - [ -0.0003687200000000, -0.0001132900000000, -0.0003700300000000 ] - [ 0.0000394800000000, 0.0003543000000000, -0.0003781200000000 ] - [ -0.0092512700000000, -0.0067497900000000, -0.0025721300000000 ] - [ -0.0008171900000000, 0.0001447800000000, -0.0005933300000000 ] - [ -0.0000692100000000, -0.0002532000000000, -0.0005928400000000 ] - [ -0.0003718900000000, 0.0000417400000000, 0.0003541400000000 ] - [ 0.0024856900000000, -0.0034462600000000, 0.0023390600000000 ] - [ 0.0000594700000000, -0.0003634600000000, -0.0001094500000000 ] - [ -0.0001643400000000, 0.0010203600000000, -0.0015825000000000 ] - [ 0.0003944900000000, -0.0001693800000000, 0.0000135700000000 ] - [ 0.0000178900000000, 0.0004003800000000, 0.0019793800000000 ] - [ -0.0000107900000000, -0.0002376100000000, -0.0001576900000000 ] - [ -0.0009994100000000, 0.0005793500000000, 0.0022198800000000 ] - [ -0.0000087400000000, -0.0000102700000000, 0.0003273200000000 ] - [ 0.0513733900000000, 0.0442375800000000, -0.1236118100000000 ] - [ -0.0004611700000000, 0.0001716100000000, 0.0004861400000000 ] - [ 0.0001707200000000, -0.0003054900000000, 0.0008837700000000 ] - [ 0.0006105800000000, 0.0001750500000000, 0.0001185200000000 ] - [ 0.0037351500000000, -0.0098489900000000, 0.0023040400000000 ] - [ 0.0002281300000000, 0.0000321900000000, 0.0002931500000000 ] - [ -0.0000254600000000, 0.0028945900000000, 0.0011853200000000 ] - [ -0.0001733500000000, 0.0001308700000000, -0.0002419700000000 ] - [ -0.0010180800000000, 0.0001601700000000, 0.0029586600000000 ] - [ -0.0001139400000000, -0.0001765900000000, 0.0004237700000000 ] - [ -0.0014450600000000, 0.0020896300000000, 0.0051787400000000 ] - [ 0.0005639700000000, 0.0000283300000000, 0.0002491500000000 ] - [ 0.0016064000000000, 0.0011075800000000, 0.0012282600000000 ] - [ -0.0000231100000000, 0.0002704500000000, 0.0004995000000000 ] - [ -0.0062946000000000, -0.0013554000000000, 0.0219207000000000 ] - [ -0.0001445900000000, -0.0001499700000000, -0.0002404100000000 ] - [ -0.0015832500000000, -0.0017322400000000, -0.0013012300000000 ] - [ -0.0005283800000000, 0.0000092400000000, -0.0004698700000000 ] - [ 0.0005558100000000, -0.0000861900000000, -0.0013791500000000 ] - [ 0.0000540000000000, 0.0000074000000000, -0.0005194900000000 ] - [ -0.0002556300000000, -0.0003211300000000, 0.0003322300000000 ] - [ 0.0001902800000000, -0.0002371900000000, -0.0000157800000000 ] - [ -0.0004982900000000, 0.0000159500000000, 0.0002201600000000 ] - [ -0.0003370700000000, -0.0000479100000000, -0.0001236400000000 ] - [ -0.0025119400000000, 0.0004304200000000, -0.0012507700000000 ] - [ -0.0018950100000000, -0.0002869200000000, -0.0010656200000000 ] - [ -0.0000294900000000, 0.0000789200000000, 0.0008531100000000 ] - [ 0.0005839700000000, -0.0003030600000000, -0.0002686400000000 ] - [ 0.0003487800000000, -0.0000811200000000, -0.0011562600000000 ] - [ -0.0016038600000000, 0.0005397900000000, -0.0006583000000000 ] - [ -0.0001283000000000, 0.0000290500000000, 0.0000507600000000 ] - [ 0.0000698400000000, 0.0001189100000000, -0.0001651800000000 ] - [ 0.0002818300000000, -0.0000976800000000, 0.0007657800000000 ] - [ -0.0002345600000000, 0.0002058000000000, 0.0005490400000000 ] - [ -0.0007919800000000, 0.0002682100000000, 0.0001430900000000 ] - [ 0.0011989800000000, 0.0010720800000000, -0.0018780100000000 ] - [ 0.0000462900000000, -0.0000727200000000, 0.0002125500000000 ] - [ 0.0010905700000000, 0.0008152000000000, 0.0005330800000000 ] - [ 0.0005645100000000, -0.0000915800000000, 0.0006607800000000 ] - [ 0.0005903800000000, -0.0004882300000000, 0.0010672400000000 ] - [ 0.0004528300000000, -0.0004493200000000, 0.0004327200000000 ] - [ -0.0004736700000000, -0.0003590000000000, 0.0012237500000000 ]- atom: 95 displacement: [ 0.0030577532044204, 0.0000000000000000, -0.0095210369887348 ] forces: - [ -0.0024804000000000, 0.0027808600000000, 0.0005932500000000 ] - [ 0.0000461400000000, 0.0003208600000000, -0.0001197500000000 ] - [ 0.0008690400000000, 0.0002280700000000, -0.0031776500000000 ] - [ -0.0001367800000000, 0.0000766300000000, -0.0000196300000000 ] - [ 0.0007941500000000, -0.0003539200000000, -0.0028098700000000 ] - [ -0.0000033600000000, -0.0001184000000000, 0.0002170900000000 ] - [ 0.0001985400000000, -0.0001223200000000, -0.0000872000000000 ] - [ 0.0000197400000000, -0.0003466100000000, 0.0000558800000000 ] - [ 0.0006323000000000, -0.0003661100000000, -0.0015452600000000 ] - [ 0.0000311900000000, -0.0000232500000000, 0.0002186600000000 ] - [ -0.0001882600000000, -0.0002617200000000, 0.0004164000000000 ] - [ 0.0000789100000000, -0.0001442200000000, -0.0000325400000000 ] - [ 0.0005588700000000, -0.0011292700000000, -0.0008017600000000 ] - [ 0.0002100100000000, 0.0000537100000000, -0.0001575500000000 ] - [ -0.0013820600000000, -0.0007095100000000, 0.0016215900000000 ] - [ 0.0002719800000000, 0.0001613800000000, -0.0000882900000000 ] - [ -0.0002859600000000, -0.0054856400000000, -0.0085953900000000 ] - [ 0.0004752000000000, 0.0002960300000000, 0.0002602800000000 ] - [ 0.0051875200000000, 0.0029244900000000, -0.0072055300000000 ] - [ 0.0001039700000000, -0.0000099400000000, 0.0003167700000000 ] - [ -0.0007402900000000, 0.0001387000000000, 0.0030639900000000 ] - [ 0.0002099400000000, 0.0000430500000000, 0.0001943800000000 ] - [ 0.0001260900000000, 0.0009102100000000, -0.0008650800000000 ] - [ -0.0003811600000000, 0.0003393700000000, -0.0003303700000000 ] - [ 0.0000185300000000, 0.0002988800000000, 0.0003133000000000 ] - [ 0.0002999700000000, -0.0000636700000000, -0.0001948500000000 ] - [ 0.0075540100000000, -0.0040134900000000, -0.0049947000000000 ] - [ 0.0001840400000000, 0.0003647800000000, 0.0002816500000000 ] - [ 0.0004036800000000, -0.0001258600000000, 0.0006182900000000 ] - [ 0.0006075900000000, -0.0002817200000000, 0.0002064000000000 ] - [ 0.0003655800000000, -0.0003921900000000, -0.0002543600000000 ] - [ -0.0002294400000000, -0.0000800700000000, -0.0001711000000000 ] - [ -0.0001490800000000, -0.0007849900000000, 0.0007807300000000 ] - [ 0.0001296500000000, 0.0000265500000000, 0.0003012100000000 ] - [ -0.0005870400000000, 0.0012271700000000, -0.0009267300000000 ] - [ -0.0006682000000000, 0.0001830900000000, -0.0003216400000000 ] - [ -0.0007954400000000, -0.0007038100000000, 0.0001996800000000 ] - [ -0.0002309900000000, -0.0003671000000000, -0.0004065500000000 ] - [ 0.0013509400000000, -0.0000114700000000, -0.0004212100000000 ] - [ -0.0006085300000000, 0.0000101700000000, 0.0003912600000000 ] - [ 0.0006886600000000, -0.0011413600000000, 0.0025711000000000 ] - [ 0.0003644400000000, -0.0003426600000000, 0.0004169000000000 ] - [ -0.0001833100000000, -0.0002382900000000, -0.0011137000000000 ] - [ -0.0003666000000000, 0.0001447400000000, -0.0004259400000000 ] - [ -0.0016467000000000, -0.0003682400000000, 0.0002293100000000 ] - [ 0.0000949800000000, 0.0000297300000000, -0.0004433500000000 ] - [ 0.0004208700000000, 0.0004756200000000, 0.0016028300000000 ] - [ -0.0005083300000000, -0.0002665700000000, -0.0001311000000000 ] - [ 0.0000398500000000, -0.0000958100000000, -0.0002894000000000 ] - [ -0.0003848200000000, -0.0000777700000000, 0.0001275200000000 ] - [ -0.0011305900000000, 0.0001705900000000, 0.0009899100000000 ] - [ 0.0001624600000000, -0.0000044400000000, 0.0000199100000000 ] - [ 0.0000887400000000, 0.0002380500000000, -0.0002251900000000 ] - [ -0.0004970500000000, -0.0004578500000000, 0.0001358200000000 ] - [ -0.0001863500000000, 0.0000548200000000, 0.0000928900000000 ] - [ -0.0000347800000000, 0.0000221000000000, -0.0001783000000000 ] - [ -0.0002333500000000, 0.0005100200000000, 0.0000860200000000 ] - [ 0.0000165500000000, 0.0002229800000000, -0.0005767400000000 ] - [ -0.0003237000000000, 0.0001347400000000, 0.0001149900000000 ] - [ 0.0002154900000000, -0.0001713000000000, -0.0003390900000000 ] - [ -0.0000216300000000, -0.0001322500000000, 0.0003545300000000 ] - [ 0.0011886600000000, -0.0002485900000000, 0.0009851600000000 ] - [ 0.0004043900000000, -0.0003402000000000, 0.0000065500000000 ] - [ -0.0004422100000000, -0.0002291500000000, 0.0006027300000000 ] - [ -0.0001754700000000, -0.0003372700000000, -0.0008552000000000 ] - [ 0.0000499900000000, -0.0005867900000000, -0.0002417200000000 ] - [ -0.0002503000000000, -0.0003881000000000, 0.0024724800000000 ] - [ 0.0004355600000000, 0.0004421700000000, -0.0000146600000000 ] - [ 0.0314605100000000, 0.0375080700000000, -0.0766324500000000 ] - [ -0.0000860200000000, -0.0006963700000000, 0.0000922100000000 ] - [ 0.0003196000000000, 0.0025864200000000, 0.0034315400000000 ] - [ 0.0003241300000000, 0.0006370000000000, 0.0001674800000000 ] - [ -0.0008337300000000, -0.0015425900000000, -0.0007790600000000 ] - [ -0.0002334200000000, -0.0006582900000000, -0.0003563500000000 ] - [ -0.0001763900000000, 0.0010689900000000, 0.0008228500000000 ] - [ 0.0000062100000000, 0.0007301700000000, 0.0002400800000000 ] - [ -0.0009355200000000, -0.0011455600000000, -0.0005352000000000 ] - [ -0.0038529900000000, 0.0017115200000000, -0.0029238600000000 ] - [ 0.0001366300000000, 0.0001492400000000, 0.0006425400000000 ] - [ 0.0003135200000000, 0.0008671000000000, 0.0013866400000000 ] - [ 0.0004674400000000, 0.0007852600000000, -0.0001217600000000 ] - [ 0.0000621900000000, 0.0003187400000000, -0.0001157400000000 ] - [ 0.0086903500000000, 0.0071824200000000, 0.0019754600000000 ] - [ 0.0002765600000000, 0.0002729300000000, -0.0000489700000000 ] - [ -0.0003608700000000, 0.0002981800000000, 0.0012400800000000 ] - [ -0.0000596400000000, 0.0000044200000000, 0.0002978100000000 ] - [ -0.0023538900000000, 0.0027530800000000, -0.0028305900000000 ] - [ 0.0000409300000000, -0.0003104600000000, -0.0003833600000000 ] - [ 0.0011707600000000, -0.0013412900000000, 0.0017234300000000 ] - [ 0.0006163400000000, -0.0001655500000000, 0.0001218500000000 ] - [ -0.0005485700000000, -0.0008087100000000, -0.0026165400000000 ] - [ -0.0005313200000000, -0.0001803900000000, -0.0004830600000000 ] - [ 0.0005722500000000, -0.0006331200000000, -0.0015609200000000 ] - [ -0.0004222100000000, -0.0000355400000000, 0.0003257000000000 ] - [ -0.0532693400000000, -0.0470611100000000, 0.1279552700000000 ] - [ 0.0000099800000000, 0.0001765100000000, 0.0004378400000000 ] - [ 0.0008404200000000, 0.0006352800000000, -0.0007458300000000 ] - [ 0.0004001800000000, 0.0001595200000000, 0.0000172200000000 ] - [ -0.0028347300000000, 0.0098576600000000, -0.0016625000000000 ] - [ 0.0006899000000000, -0.0000162200000000, 0.0002897900000000 ] - [ -0.0001868900000000, -0.0026121900000000, -0.0016227600000000 ] - [ -0.0000439800000000, 0.0001429000000000, -0.0001837200000000 ] - [ 0.0005675200000000, -0.0004979100000000, -0.0020285800000000 ] - [ -0.0003365500000000, -0.0001710600000000, 0.0005003700000000 ] - [ 0.0023491500000000, -0.0020788700000000, -0.0045861300000000 ] - [ 0.0003534200000000, -0.0000447600000000, 0.0003324700000000 ] - [ -0.0013859200000000, -0.0008299000000000, -0.0007945200000000 ] - [ 0.0002412300000000, 0.0000042300000000, -0.0000718100000000 ] - [ 0.0061527600000000, 0.0010969800000000, -0.0226289400000000 ] - [ -0.0000714400000000, -0.0001242000000000, -0.0001849000000000 ] - [ 0.0006598400000000, 0.0017408800000000, 0.0007076000000000 ] - [ -0.0003911500000000, 0.0000068500000000, -0.0001131700000000 ] - [ -0.0001036500000000, 0.0004311400000000, 0.0004506000000000 ] - [ 0.0003956300000000, 0.0003399800000000, -0.0004038400000000 ] - [ 0.0004708400000000, 0.0000457100000000, 0.0000911100000000 ] - [ 0.0000265100000000, -0.0000372100000000, 0.0004392700000000 ] - [ -0.0004212500000000, -0.0000327500000000, -0.0008000000000000 ] - [ -0.0005794700000000, 0.0000312600000000, -0.0004591300000000 ] - [ 0.0014972400000000, -0.0007672800000000, 0.0011090800000000 ] - [ 0.0008781300000000, -0.0000509200000000, 0.0009285800000000 ] - [ 0.0004748700000000, -0.0004314600000000, -0.0017739400000000 ] - [ -0.0001301500000000, -0.0000443600000000, -0.0006572700000000 ] - [ 0.0000891300000000, 0.0001276500000000, 0.0005023600000000 ] - [ 0.0020315000000000, -0.0004880700000000, 0.0000151300000000 ] - [ 0.0006679800000000, 0.0003892600000000, 0.0005879600000000 ] - [ 0.0004675400000000, 0.0003020400000000, 0.0008061700000000 ] - [ -0.0012968900000000, 0.0004343200000000, -0.0008986100000000 ] - [ -0.0007734300000000, 0.0001311200000000, -0.0006847000000000 ] - [ 0.0006881700000000, 0.0004059300000000, 0.0003462500000000 ] - [ -0.0013158800000000, -0.0004018200000000, 0.0023618700000000 ] - [ 0.0003823100000000, 0.0000266200000000, -0.0008636900000000 ] - [ -0.0006567200000000, -0.0008613500000000, -0.0011882200000000 ] - [ -0.0000243100000000, -0.0003269600000000, -0.0000184200000000 ] - [ -0.0000434200000000, 0.0000657900000000, -0.0004232700000000 ] - [ -0.0005527800000000, -0.0002246100000000, 0.0000642000000000 ] - [ 0.0003748200000000, -0.0003119200000000, -0.0007270300000000 ]- atom: 99 displacement: [ 0.0099997439015081, 0.0000000000000000, 0.0000715674804079 ] forces: - [ -0.0001046100000000, 0.0012166600000000, 0.0001119500000000 ] - [ -0.0003444000000000, 0.0001234000000000, -0.0001060700000000 ] - [ 0.0001979900000000, 0.0006947700000000, -0.0003278700000000 ] - [ -0.0003553400000000, -0.0000236100000000, -0.0000251700000000 ] - [ 0.0009064600000000, -0.0000514300000000, -0.0015468200000000 ] - [ -0.0003513700000000, -0.0001914000000000, -0.0000385000000000 ] - [ 0.0003223700000000, -0.0005556500000000, -0.0004239700000000 ] - [ -0.0003081000000000, -0.0001945500000000, -0.0002157500000000 ] - [ 0.0061673600000000, 0.0028364800000000, 0.0055105000000000 ] - [ -0.0003656600000000, -0.0000420500000000, 0.0001262300000000 ] - [ -0.0001643300000000, -0.0004297400000000, 0.0003940800000000 ] - [ -0.0005694300000000, 0.0002485900000000, -0.0003473800000000 ] - [ 0.0009531100000000, 0.0000783100000000, -0.0000973800000000 ] - [ -0.0001869600000000, 0.0000783600000000, -0.0002965300000000 ] - [ -0.0023244800000000, 0.0003684100000000, 0.0024128200000000 ] - [ -0.0009712100000000, 0.0001016500000000, -0.0002967400000000 ] - [ 0.0018778700000000, 0.0002753800000000, 0.0002816400000000 ] - [ 0.0000485800000000, 0.0002294400000000, 0.0001246300000000 ] - [ 0.0008008700000000, -0.0002658000000000, 0.0004920200000000 ] - [ -0.0003172000000000, -0.0000021400000000, 0.0001510000000000 ] - [ 0.0002399000000000, 0.0000771400000000, 0.0010011300000000 ] - [ -0.0002847200000000, 0.0000032200000000, -0.0000145900000000 ] - [ 0.0007212300000000, 0.0010722700000000, -0.0002314300000000 ] - [ -0.0008119500000000, 0.0003268300000000, -0.0004533600000000 ] - [ 0.0007657800000000, -0.0001132100000000, 0.0001804100000000 ] - [ -0.0001873200000000, -0.0000493200000000, -0.0003290000000000 ] - [ 0.0016922200000000, -0.0007423600000000, 0.0040772600000000 ] - [ -0.0004231200000000, 0.0003640200000000, 0.0001487100000000 ] - [ 0.0012199500000000, -0.0003590200000000, 0.0009056100000000 ] - [ 0.0000969100000000, -0.0002076200000000, -0.0000155600000000 ] - [ -0.0002467900000000, 0.0034506900000000, -0.0019141400000000 ] - [ -0.0005864700000000, -0.0001631700000000, -0.0003302400000000 ] - [ 0.0034129800000000, 0.0009923500000000, -0.0002140100000000 ] - [ -0.0003782600000000, 0.0000240200000000, 0.0001930100000000 ] - [ -0.0010087800000000, 0.0020586700000000, 0.0022765100000000 ] - [ -0.0011391000000000, 0.0001696500000000, -0.0004745200000000 ] - [ 0.0002360200000000, -0.0002846400000000, -0.0001143800000000 ] - [ -0.0007501100000000, -0.0003061500000000, -0.0005655300000000 ] - [ 0.0039306800000000, 0.0002255900000000, 0.0007594700000000 ] - [ -0.0010416000000000, 0.0000211400000000, 0.0002825200000000 ] - [ 0.0046875700000000, -0.0004372600000000, 0.0012453600000000 ] - [ -0.0002464200000000, -0.0003636200000000, 0.0001936100000000 ] - [ 0.0001819200000000, -0.0005528200000000, 0.0000053300000000 ] - [ -0.0005955900000000, 0.0002743100000000, -0.0003080000000000 ] - [ 0.0002193500000000, -0.0002701400000000, -0.0000399700000000 ] - [ -0.0004894000000000, 0.0002254900000000, -0.0005819200000000 ] - [ 0.0006634100000000, -0.0006494100000000, -0.0000224400000000 ] - [ -0.0010091600000000, -0.0003111600000000, -0.0004117800000000 ] - [ -0.0003315300000000, 0.0001632200000000, -0.0002487200000000 ] - [ -0.0004226500000000, -0.0001784200000000, 0.0000492600000000 ] - [ 0.0000666400000000, -0.0001198600000000, 0.0006285800000000 ] - [ -0.0007617800000000, -0.0000905400000000, -0.0003275400000000 ] - [ -0.0013667500000000, 0.0009922200000000, 0.0000435400000000 ] - [ -0.0010721800000000, -0.0007248300000000, 0.0001621200000000 ] - [ 0.0001846000000000, 0.0004238000000000, -0.0005106700000000 ] - [ -0.0004016800000000, -0.0001124800000000, -0.0003695100000000 ] - [ -0.0004172100000000, 0.0006691100000000, 0.0001863700000000 ] - [ -0.0005839900000000, -0.0002789700000000, -0.0005990800000000 ] - [ -0.0002380800000000, 0.0002137700000000, -0.0000255500000000 ] - [ -0.0002406000000000, 0.0001195700000000, -0.0002811500000000 ] - [ -0.0000653000000000, -0.0004460700000000, -0.0000470900000000 ] - [ -0.0000405100000000, 0.0000387700000000, -0.0001723800000000 ] - [ -0.0002608900000000, -0.0013666200000000, -0.0004836700000000 ] - [ -0.0003839500000000, -0.0001162300000000, 0.0002313800000000 ] - [ 0.0002450600000000, -0.0013239500000000, -0.0003545700000000 ] - [ -0.0002800900000000, -0.0002879900000000, -0.0001383600000000 ] - [ 0.0002361200000000, 0.0008516700000000, 0.0001146000000000 ] - [ -0.0000617100000000, 0.0004074200000000, -0.0003877800000000 ] - [ 0.0517271700000000, -0.0320357300000000, 0.0088338800000000 ] - [ -0.0011280800000000, -0.0007163600000000, -0.0001225000000000 ] - [ 0.0010546600000000, 0.0011198300000000, 0.0015188600000000 ] - [ -0.0009173500000000, 0.0006260300000000, -0.0004619200000000 ] - [ -0.0003181700000000, 0.0005093100000000, 0.0007687600000000 ] - [ -0.0007539100000000, -0.0007409900000000, -0.0004475000000000 ] - [ -0.0000157400000000, 0.0009117500000000, -0.0001640100000000 ] - [ -0.0006148400000000, 0.0008272200000000, -0.0002872500000000 ] - [ -0.0022859400000000, -0.0011761900000000, 0.0007648500000000 ] - [ -0.0064588800000000, 0.0023558000000000, -0.0016572300000000 ] - [ -0.0009945500000000, -0.0002012700000000, -0.0019894500000000 ] - [ -0.0003955100000000, 0.0007973400000000, 0.0002369900000000 ] - [ 0.0004629000000000, 0.0017134400000000, -0.0002667100000000 ] - [ 0.0007729700000000, -0.0000333800000000, -0.0001544700000000 ] - [ 0.0164219300000000, -0.0073727300000000, 0.0081716200000000 ] - [ 0.0014549600000000, 0.0002264000000000, -0.0000352300000000 ] - [ -0.0000112300000000, 0.0015613200000000, 0.0007690500000000 ] - [ 0.0003010200000000, -0.0001684000000000, 0.0003703300000000 ] - [ -0.0002297300000000, -0.0004900100000000, -0.0003222800000000 ] - [ 0.0004642200000000, -0.0002428300000000, -0.0000482600000000 ] - [ -0.0003365100000000, -0.0002445000000000, 0.0000330500000000 ] - [ 0.0011950600000000, -0.0002541900000000, 0.0001916300000000 ] - [ -0.0007258400000000, -0.0001052300000000, -0.0008760400000000 ] - [ 0.0010156100000000, 0.0000627100000000, 0.0004773500000000 ] - [ -0.0001306100000000, -0.0004357300000000, -0.0001607800000000 ] - [ 0.0001791000000000, 0.0001635300000000, 0.0006061200000000 ] - [ -0.0060413600000000, -0.0020421700000000, 0.0020342800000000 ] - [ 0.0006757000000000, 0.0002689300000000, 0.0005091200000000 ] - [ -0.0000450200000000, 0.0001290300000000, -0.0002786000000000 ] - [ 0.0010777200000000, 0.0001139600000000, 0.0003972900000000 ] - [ -0.0782951900000000, 0.0421739900000000, -0.0227041200000000 ] - [ 0.0015301900000000, -0.0001494400000000, 0.0005260400000000 ] - [ -0.0021001300000000, -0.0001786900000000, -0.0013865400000000 ] - [ 0.0006949500000000, 0.0001018800000000, 0.0002269100000000 ] - [ -0.0008998200000000, -0.0003955000000000, -0.0017090300000000 ] - [ 0.0006396700000000, -0.0002089400000000, 0.0008498500000000 ] - [ -0.0007799800000000, -0.0000209000000000, -0.0012142800000000 ] - [ 0.0014116800000000, 0.0001878400000000, 0.0007752300000000 ] - [ -0.0006899900000000, 0.0001282100000000, 0.0001275900000000 ] - [ 0.0006945000000000, -0.0000004300000000, 0.0002508700000000 ] - [ -0.0016904900000000, -0.0107748000000000, -0.0047976400000000 ] - [ 0.0008002700000000, -0.0000551100000000, 0.0000416200000000 ] - [ -0.0013631500000000, -0.0005377700000000, -0.0007957300000000 ] - [ 0.0002711900000000, 0.0000185000000000, 0.0000026900000000 ] - [ 0.0007558400000000, -0.0019297800000000, -0.0014740500000000 ] - [ 0.0008652400000000, 0.0004143900000000, -0.0003295700000000 ] - [ 0.0000387200000000, -0.0008827200000000, -0.0005479000000000 ] - [ 0.0006891300000000, 0.0000594900000000, 0.0005549000000000 ] - [ -0.0018692300000000, -0.0006856300000000, -0.0000626900000000 ] - [ 0.0001600400000000, -0.0000996300000000, -0.0000987700000000 ] - [ 0.0020684700000000, 0.0001620500000000, -0.0018353100000000 ] - [ 0.0022949800000000, 0.0005171900000000, 0.0008658500000000 ] - [ -0.0002058000000000, -0.0003080300000000, -0.0006372100000000 ] - [ 0.0006045000000000, -0.0002855200000000, -0.0002117700000000 ] - [ 0.0027568700000000, 0.0020572100000000, -0.0011665700000000 ] - [ 0.0024149500000000, -0.0014128400000000, -0.0010400000000000 ] - [ 0.0007028200000000, -0.0000022500000000, 0.0001841400000000 ] - [ 0.0007676700000000, 0.0002516200000000, 0.0005655400000000 ] - [ -0.0010058100000000, 0.0012045000000000, 0.0021103600000000 ] - [ 0.0000183600000000, 0.0000176700000000, 0.0000344200000000 ] - [ 0.0004645400000000, 0.0010790600000000, -0.0005010100000000 ] - [ 0.0010940100000000, -0.0012969500000000, 0.0022300500000000 ] - [ 0.0003075000000000, -0.0002326300000000, 0.0004546600000000 ] - [ 0.0003558600000000, 0.0000931400000000, 0.0000830500000000 ] - [ 0.0002749100000000, -0.0005395500000000, 0.0004453000000000 ] - [ 0.0005248200000000, -0.0002054800000000, 0.0003371700000000 ] - [ 0.0021193200000000, -0.0010807300000000, 0.0029264800000000 ] - [ 0.0005946200000000, -0.0001144800000000, -0.0000920300000000 ]- atom: 99 displacement: [ -0.0099997439015081, 0.0000000000000000, -0.0000715674804079 ] forces: - [ 0.0001950200000000, -0.0005163700000000, -0.0001481000000000 ] - [ 0.0004306100000000, 0.0005804900000000, 0.0000702600000000 ] - [ -0.0002038200000000, -0.0004231000000000, 0.0002914800000000 ] - [ 0.0003442100000000, 0.0002980800000000, -0.0000135200000000 ] - [ -0.0005652200000000, -0.0002365800000000, 0.0016954500000000 ] - [ 0.0006832300000000, -0.0000982400000000, 0.0001841000000000 ] - [ -0.0002366200000000, -0.0001455000000000, 0.0003896800000000 ] - [ 0.0003939700000000, -0.0005087200000000, 0.0001807500000000 ] - [ -0.0059011700000000, -0.0028218300000000, -0.0049942900000000 ] - [ 0.0006393400000000, -0.0000380900000000, 0.0002858300000000 ] - [ 0.0001545000000000, 0.0001557300000000, -0.0004313000000000 ] - [ 0.0005604400000000, -0.0005242300000000, 0.0003109400000000 ] - [ -0.0004532100000000, 0.0000401500000000, -0.0002575000000000 ] - [ 0.0006913900000000, 0.0000419800000000, -0.0000581000000000 ] - [ 0.0026442300000000, -0.0000712300000000, -0.0022514100000000 ] - [ 0.0013097200000000, 0.0001884900000000, 0.0004451100000000 ] - [ -0.0007617000000000, 0.0002605300000000, 0.0002000300000000 ] - [ 0.0010789700000000, 0.0003221700000000, 0.0003622300000000 ] - [ -0.0005472000000000, 0.0002132900000000, 0.0001467000000000 ] - [ 0.0005758300000000, -0.0000464400000000, 0.0004818200000000 ] - [ 0.0000356000000000, 0.0000020800000000, -0.0005910800000000 ] - [ 0.0005583900000000, 0.0000773400000000, 0.0004276300000000 ] - [ -0.0013611100000000, -0.0003881100000000, -0.0005056400000000 ] - [ 0.0001790400000000, 0.0003616600000000, -0.0002815100000000 ] - [ -0.0002647300000000, -0.0000078900000000, -0.0005369200000000 ] - [ 0.0006920400000000, -0.0000710000000000, -0.0000253500000000 ] - [ -0.0011022900000000, 0.0014295000000000, -0.0033230600000000 ] - [ 0.0010594600000000, 0.0003247000000000, 0.0005867300000000 ] - [ -0.0000973600000000, -0.0001892700000000, -0.0004222600000000 ] - [ 0.0010305800000000, -0.0003438100000000, 0.0005023800000000 ] - [ -0.0000340400000000, -0.0034980300000000, 0.0012790400000000 ] - [ 0.0003306600000000, 0.0001138800000000, -0.0003016200000000 ] - [ -0.0031384700000000, -0.0008828900000000, 0.0008081500000000 ] - [ 0.0006377100000000, 0.0000247800000000, 0.0004399700000000 ] - [ -0.0001260100000000, -0.0015106200000000, -0.0027734200000000 ] - [ 0.0000150600000000, 0.0003803000000000, -0.0000116800000000 ] - [ -0.0008733600000000, -0.0004047000000000, -0.0006217100000000 ] - [ 0.0001171800000000, -0.0003823000000000, -0.0001693600000000 ] - [ -0.0048138900000000, -0.0002396100000000, -0.0005050400000000 ] - [ 0.0005396800000000, 0.0000993700000000, 0.0000733500000000 ] - [ -0.0040545100000000, -0.0002398100000000, -0.0005060700000000 ] - [ 0.0008833700000000, -0.0003248200000000, 0.0005422500000000 ] - [ -0.0004577400000000, 0.0004760000000000, -0.0004199500000000 ] - [ 0.0003260700000000, -0.0003537000000000, -0.0001036300000000 ] - [ -0.0004802700000000, 0.0003195800000000, -0.0005944100000000 ] - [ 0.0002346300000000, -0.0001759500000000, -0.0000501900000000 ] - [ -0.0017989300000000, 0.0000925200000000, -0.0004702300000000 ] - [ -0.0001144500000000, -0.0002387900000000, -0.0000740400000000 ] - [ 0.0000009400000000, -0.0004551900000000, 0.0001028800000000 ] - [ 0.0000943600000000, -0.0001121600000000, -0.0001948800000000 ] - [ -0.0005747300000000, 0.0000007400000000, -0.0002793000000000 ] - [ 0.0002609700000000, -0.0000296600000000, 0.0006817300000000 ] - [ 0.0013882500000000, -0.0007255400000000, -0.0000068100000000 ] - [ 0.0010821900000000, 0.0009935800000000, -0.0001234200000000 ] - [ -0.0004593100000000, -0.0003454800000000, 0.0001004400000000 ] - [ 0.0001314900000000, 0.0001922100000000, -0.0000421000000000 ] - [ 0.0003332800000000, 0.0000317500000000, -0.0001521800000000 ] - [ 0.0005030000000000, 0.0009782400000000, 0.0006339200000000 ] - [ -0.0000933900000000, 0.0000759800000000, -0.0001210000000000 ] - [ -0.0000874500000000, 0.0001700900000000, 0.0001365800000000 ] - [ 0.0000758800000000, 0.0001733800000000, 0.0000846600000000 ] - [ 0.0000561300000000, -0.0003113800000000, 0.0002122500000000 ] - [ 0.0001764300000000, 0.0006727500000000, 0.0005236900000000 ] - [ 0.0003020400000000, -0.0005848800000000, -0.0001950200000000 ] - [ 0.0002186700000000, 0.0003070900000000, 0.0000588000000000 ] - [ 0.0007396600000000, -0.0007304100000000, -0.0001568800000000 ] - [ 0.0002245900000000, 0.0001613700000000, -0.0004069400000000 ] - [ 0.0005203400000000, 0.0006101900000000, 0.0000938200000000 ] - [ -0.0501476200000000, 0.0286300600000000, -0.0079126500000000 ] - [ 0.0015387900000000, -0.0005953400000000, 0.0004489700000000 ] - [ -0.0006441100000000, 0.0001910900000000, -0.0011924000000000 ] - [ 0.0013267100000000, 0.0006864500000000, 0.0007890400000000 ] - [ -0.0000893700000000, -0.0018270100000000, -0.0010995900000000 ] - [ 0.0003537500000000, -0.0005722900000000, 0.0001230100000000 ] - [ -0.0003923700000000, 0.0003966100000000, -0.0001625500000000 ] - [ 0.0002129300000000, 0.0004848900000000, -0.0000373100000000 ] - [ 0.0018370600000000, 0.0001620800000000, -0.0004791800000000 ] - [ 0.0059889900000000, -0.0033613600000000, 0.0019514700000000 ] - [ 0.0005342400000000, 0.0012263600000000, 0.0022966800000000 ] - [ -0.0000588500000000, 0.0002198500000000, 0.0000598300000000 ] - [ -0.0003669700000000, -0.0010395400000000, -0.0002284200000000 ] - [ -0.0006739200000000, 0.0007098300000000, -0.0003378300000000 ] - [ -0.0167834400000000, 0.0077047700000000, -0.0086971900000000 ] - [ -0.0020015200000000, 0.0001944800000000, -0.0006055400000000 ] - [ -0.0004233400000000, -0.0015226100000000, -0.0001204000000000 ] - [ -0.0007325200000000, 0.0002166100000000, 0.0002815900000000 ] - [ 0.0003286700000000, -0.0001789500000000, -0.0001748100000000 ] - [ -0.0003627700000000, -0.0004315900000000, -0.0004443400000000 ] - [ 0.0013491700000000, -0.0000858200000000, 0.0001049200000000 ] - [ -0.0001847200000000, -0.0000820800000000, -0.0000553800000000 ] - [ 0.0001804900000000, -0.0003164700000000, 0.0002318300000000 ] - [ -0.0015583700000000, -0.0004853000000000, -0.0011216900000000 ] - [ -0.0003027700000000, 0.0003919100000000, 0.0008125700000000 ] - [ -0.0006105800000000, -0.0002114600000000, 0.0000443900000000 ] - [ 0.0055515600000000, 0.0024774500000000, -0.0011726100000000 ] - [ -0.0011278700000000, 0.0000784000000000, 0.0004143800000000 ] - [ 0.0010593600000000, 0.0002089300000000, 0.0004148900000000 ] - [ -0.0000670100000000, 0.0002230400000000, -0.0002624800000000 ] - [ 0.0784215700000000, -0.0400669700000000, 0.0226543000000000 ] - [ -0.0006144800000000, 0.0001656800000000, 0.0000558200000000 ] - [ 0.0018895900000000, 0.0004477600000000, 0.0009552900000000 ] - [ -0.0009131300000000, 0.0001723300000000, -0.0006521200000000 ] - [ 0.0004408100000000, 0.0000444700000000, 0.0026326600000000 ] - [ -0.0010931300000000, -0.0001383400000000, 0.0000724300000000 ] - [ 0.0017008000000000, 0.0000049600000000, 0.0018019900000000 ] - [ -0.0004958200000000, -0.0002039200000000, -0.0001933000000000 ] - [ 0.0009140700000000, 0.0001476200000000, 0.0002989300000000 ] - [ -0.0004806700000000, 0.0002743500000000, 0.0001730400000000 ] - [ 0.0013966500000000, 0.0104991800000000, 0.0043832700000000 ] - [ -0.0010201700000000, -0.0002193100000000, -0.0004674100000000 ] - [ 0.0004511600000000, 0.0005573400000000, 0.0002157300000000 ] - [ -0.0011926100000000, -0.0000042200000000, -0.0005868100000000 ] - [ -0.0003052600000000, 0.0022886600000000, 0.0005564500000000 ] - [ -0.0004176000000000, -0.0000642600000000, -0.0005944200000000 ] - [ 0.0001801700000000, 0.0006125500000000, 0.0009756600000000 ] - [ -0.0004756400000000, -0.0003320000000000, -0.0001318200000000 ] - [ 0.0009573700000000, 0.0006761500000000, -0.0005223800000000 ] - [ -0.0010812200000000, 0.0000850000000000, -0.0004859400000000 ] - [ -0.0030912700000000, -0.0005017500000000, 0.0017154400000000 ] - [ -0.0032986100000000, -0.0008508600000000, -0.0009998400000000 ] - [ 0.0006600300000000, -0.0000374300000000, -0.0002854600000000 ] - [ -0.0001571000000000, -0.0000630800000000, -0.0007131900000000 ] - [ -0.0023435700000000, -0.0020266700000000, 0.0005249700000000 ] - [ -0.0019815000000000, 0.0014507000000000, 0.0003821400000000 ] - [ -0.0001610800000000, 0.0004238100000000, 0.0004581800000000 ] - [ -0.0002336700000000, 0.0001697900000000, 0.0000737900000000 ] - [ 0.0000108000000000, -0.0008735900000000, -0.0022583100000000 ] - [ -0.0010344500000000, 0.0003197200000000, -0.0001729200000000 ] - [ -0.0005658200000000, -0.0004100200000000, 0.0010011300000000 ] - [ -0.0011967900000000, 0.0019585200000000, -0.0017285600000000 ] - [ 0.0001260200000000, 0.0001848200000000, -0.0011097500000000 ] - [ 0.0000712000000000, -0.0001403000000000, -0.0007363600000000 ] - [ 0.0002681200000000, 0.0001218300000000, 0.0001952900000000 ] - [ 0.0000116700000000, -0.0002146100000000, 0.0003017000000000 ] - [ -0.0022307400000000, 0.0004135400000000, -0.0024535100000000 ] - [ -0.0006974800000000, -0.0005581100000000, 0.0005819300000000 ]- atom: 99 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009835000000000, -0.0009935300000000, -0.0000983000000000 ] - [ 0.0000051800000000, 0.0002148800000000, -0.0000137800000000 ] - [ 0.0006476700000000, -0.0009750300000000, 0.0004672800000000 ] - [ -0.0000143900000000, 0.0000104600000000, -0.0000158200000000 ] - [ 0.0003858500000000, 0.0014675100000000, 0.0011272100000000 ] - [ 0.0001749600000000, -0.0000678200000000, 0.0000955000000000 ] - [ -0.0001964000000000, -0.0005759500000000, -0.0009743700000000 ] - [ 0.0001715700000000, -0.0003261400000000, 0.0000545800000000 ] - [ 0.0048013700000000, 0.0074784100000000, 0.0086256100000000 ] - [ 0.0002370100000000, 0.0000550200000000, 0.0002309400000000 ] - [ -0.0010472800000000, -0.0001579900000000, 0.0003334000000000 ] - [ 0.0003238600000000, -0.0001984900000000, 0.0001573300000000 ] - [ 0.0002858000000000, -0.0009290100000000, -0.0004045000000000 ] - [ 0.0003203300000000, 0.0000210000000000, -0.0001653200000000 ] - [ 0.0009451600000000, 0.0018044900000000, -0.0007183400000000 ] - [ 0.0001472400000000, 0.0003493500000000, -0.0000413000000000 ] - [ -0.0003859700000000, -0.0031321400000000, -0.0000419600000000 ] - [ 0.0006564700000000, 0.0002120000000000, 0.0002677200000000 ] - [ -0.0002089000000000, -0.0007677300000000, 0.0013255700000000 ] - [ 0.0002073900000000, -0.0000774500000000, 0.0003492200000000 ] - [ 0.0007221000000000, 0.0000926300000000, -0.0006516400000000 ] - [ 0.0001522000000000, 0.0000324700000000, 0.0001974100000000 ] - [ -0.0003851800000000, -0.0017319900000000, -0.0004419600000000 ] - [ -0.0002646900000000, 0.0002967200000000, -0.0003376900000000 ] - [ -0.0000997900000000, -0.0016968900000000, -0.0000153500000000 ] - [ 0.0003415900000000, -0.0001159900000000, -0.0001388400000000 ] - [ -0.0017243700000000, 0.0028619900000000, 0.0024618700000000 ] - [ 0.0005076800000000, 0.0003956400000000, 0.0004370200000000 ] - [ 0.0005345300000000, -0.0004528100000000, 0.0005670600000000 ] - [ 0.0006136500000000, -0.0002432100000000, 0.0002731200000000 ] - [ 0.0029916500000000, -0.0016485800000000, 0.0016738500000000 ] - [ -0.0001779200000000, 0.0000480600000000, -0.0003089600000000 ] - [ 0.0003653100000000, 0.0052902200000000, -0.0014173900000000 ] - [ 0.0002359200000000, 0.0000890100000000, 0.0003403100000000 ] - [ 0.0012007600000000, 0.0004117400000000, -0.0021959000000000 ] - [ -0.0005712300000000, 0.0004248900000000, -0.0002296000000000 ] - [ -0.0004754200000000, -0.0008034200000000, -0.0002781500000000 ] - [ -0.0002583300000000, -0.0004129300000000, -0.0003633000000000 ] - [ 0.0005036000000000, 0.0030603700000000, 0.0000155500000000 ] - [ -0.0000166800000000, 0.0002114400000000, 0.0001086900000000 ] - [ -0.0000120800000000, 0.0036798200000000, -0.0003956300000000 ] - [ 0.0004082800000000, -0.0002926500000000, 0.0003844500000000 ] - [ -0.0006162800000000, -0.0006464600000000, -0.0001583000000000 ] - [ 0.0002080500000000, -0.0004187700000000, -0.0000728500000000 ] - [ -0.0004572000000000, -0.0002074000000000, -0.0003134000000000 ] - [ 0.0000596600000000, -0.0001678800000000, -0.0001930500000000 ] - [ -0.0016767000000000, -0.0014175300000000, -0.0017894300000000 ] - [ -0.0004403900000000, -0.0002951700000000, -0.0002039500000000 ] - [ 0.0001058700000000, -0.0006215200000000, 0.0001274700000000 ] - [ -0.0003744700000000, -0.0006002500000000, 0.0000953200000000 ] - [ -0.0004378100000000, 0.0002532600000000, 0.0000536500000000 ] - [ -0.0001322500000000, 0.0001014800000000, 0.0003497900000000 ] - [ 0.0007950500000000, 0.0004443300000000, -0.0000114700000000 ] - [ -0.0007605600000000, 0.0009061900000000, -0.0001733900000000 ] - [ 0.0001508500000000, 0.0000495200000000, 0.0004735100000000 ] - [ -0.0002339800000000, 0.0000216500000000, -0.0003181300000000 ] - [ 0.0002649400000000, 0.0005408200000000, -0.0000399100000000 ] - [ -0.0009067600000000, 0.0008209500000000, -0.0002596000000000 ] - [ -0.0000746000000000, -0.0000314300000000, -0.0000805100000000 ] - [ -0.0001674600000000, -0.0003015700000000, -0.0002642000000000 ] - [ -0.0001723600000000, -0.0002350200000000, -0.0001238600000000 ] - [ 0.0003109200000000, -0.0001672400000000, 0.0003412200000000 ] - [ -0.0004513400000000, -0.0005787300000000, -0.0001709000000000 ] - [ 0.0004255400000000, -0.0004609700000000, -0.0000969000000000 ] - [ 0.0001865200000000, -0.0034898000000000, -0.0004864100000000 ] - [ 0.0005813500000000, -0.0006003100000000, -0.0001361900000000 ] - [ 0.0000901900000000, -0.0007979500000000, -0.0002226400000000 ] - [ 0.0005059300000000, 0.0002787800000000, -0.0000652900000000 ] - [ -0.0281754500000000, 0.0653338600000000, -0.0107935700000000 ] - [ 0.0002801900000000, -0.0006115200000000, 0.0001750300000000 ] - [ -0.0000061000000000, 0.0032101700000000, 0.0002662600000000 ] - [ 0.0003445400000000, 0.0007871800000000, 0.0002688900000000 ] - [ 0.0000940200000000, -0.0023835600000000, -0.0013449600000000 ] - [ -0.0004849400000000, -0.0008037200000000, -0.0002238400000000 ] - [ 0.0005814200000000, -0.0013977900000000, -0.0001245500000000 ] - [ -0.0001967200000000, 0.0004318900000000, -0.0001589400000000 ] - [ -0.0003374000000000, 0.0000651400000000, 0.0005328100000000 ] - [ 0.0016720100000000, -0.0007994800000000, 0.0008603000000000 ] - [ -0.0007120500000000, 0.0018029600000000, 0.0006802800000000 ] - [ -0.0000247200000000, 0.0009708900000000, 0.0001469300000000 ] - [ 0.0026209900000000, 0.0031902000000000, 0.0009323900000000 ] - [ -0.0002937500000000, 0.0004300400000000, -0.0002965200000000 ] - [ -0.0059857800000000, -0.0039660500000000, -0.0027549100000000 ] - [ -0.0002936100000000, -0.0000348600000000, -0.0003653900000000 ] - [ 0.0011627100000000, 0.0030631400000000, 0.0011572300000000 ] - [ -0.0004176300000000, 0.0000327700000000, 0.0003279100000000 ] - [ -0.0002016100000000, 0.0009014000000000, -0.0007181400000000 ] - [ -0.0000082000000000, -0.0001375400000000, -0.0003161800000000 ] - [ 0.0000228000000000, 0.0028588800000000, -0.0000609900000000 ] - [ 0.0003203000000000, 0.0000269900000000, 0.0000128900000000 ] - [ -0.0001151000000000, -0.0013126900000000, -0.0002253200000000 ] - [ -0.0003068500000000, -0.0005316100000000, -0.0004608300000000 ] - [ -0.0005936300000000, 0.0013474400000000, 0.0007245800000000 ] - [ -0.0002782100000000, 0.0002408600000000, 0.0003537600000000 ] - [ -0.0038088400000000, 0.0113779500000000, -0.0109923400000000 ] - [ -0.0003438800000000, 0.0001879700000000, 0.0004487900000000 ] - [ 0.0009518700000000, 0.0011888900000000, 0.0000677100000000 ] - [ 0.0003588800000000, 0.0002522700000000, -0.0000121200000000 ] - [ 0.0399270500000000, -0.1040376100000000, 0.0076530900000000 ] - [ 0.0003012300000000, -0.0000898000000000, 0.0002723600000000 ] - [ -0.0005900300000000, -0.0020463200000000, 0.0012231700000000 ] - [ -0.0002294200000000, 0.0000173700000000, -0.0002795800000000 ] - [ 0.0006251700000000, -0.0030707500000000, -0.0014543600000000 ] - [ -0.0003681800000000, -0.0003152300000000, 0.0003771900000000 ] - [ 0.0004718400000000, -0.0016485100000000, 0.0000195600000000 ] - [ 0.0002635000000000, -0.0000886000000000, 0.0001850700000000 ] - [ 0.0006578500000000, 0.0019100500000000, 0.0007980000000000 ] - [ -0.0000307400000000, 0.0004184200000000, 0.0002163300000000 ] - [ -0.0108874300000000, 0.0137041000000000, 0.0086732300000000 ] - [ -0.0001733300000000, -0.0001623100000000, -0.0002195500000000 ] - [ 0.0000853900000000, 0.0014652400000000, -0.0000253300000000 ] - [ -0.0004704600000000, 0.0003008000000000, -0.0003252400000000 ] - [ -0.0014328500000000, 0.0022949800000000, 0.0008367400000000 ] - [ 0.0004221700000000, 0.0001826000000000, -0.0003993100000000 ] - [ -0.0002665300000000, 0.0005695400000000, 0.0006087300000000 ] - [ 0.0003106400000000, -0.0000514800000000, 0.0002646900000000 ] - [ -0.0011335000000000, 0.0026332400000000, -0.0014965700000000 ] - [ -0.0005515400000000, 0.0001193800000000, -0.0003176800000000 ] - [ -0.0006195400000000, -0.0015008300000000, -0.0000304900000000 ] - [ -0.0013701000000000, -0.0010593700000000, -0.0003822800000000 ] - [ 0.0004358300000000, 0.0011440100000000, -0.0003693900000000 ] - [ 0.0001437300000000, 0.0000781700000000, -0.0005296400000000 ] - [ 0.0009090300000000, 0.0000692600000000, -0.0005058400000000 ] - [ -0.0010149400000000, -0.0000115500000000, -0.0004443700000000 ] - [ -0.0002307700000000, 0.0008347100000000, 0.0004171800000000 ] - [ 0.0008120900000000, 0.0013951600000000, 0.0005169500000000 ] - [ 0.0004784300000000, -0.0007220700000000, 0.0006501100000000 ] - [ -0.0006313300000000, -0.0001037500000000, -0.0000760500000000 ] - [ 0.0000946100000000, 0.0001818200000000, 0.0002447500000000 ] - [ -0.0009656100000000, 0.0003515800000000, -0.0003788000000000 ] - [ 0.0001754800000000, -0.0005954500000000, -0.0004670600000000 ] - [ 0.0003008300000000, -0.0006803000000000, -0.0001599300000000 ] - [ -0.0000975000000000, 0.0003974200000000, 0.0001347300000000 ] - [ 0.0002144800000000, 0.0002589500000000, 0.0003088000000000 ] - [ -0.0011824200000000, -0.0021887000000000, -0.0004643400000000 ] - [ -0.0000230800000000, -0.0009635700000000, 0.0003117800000000 ]- atom: 99 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008993000000000, 0.0016905800000000, 0.0000616500000000 ] - [ 0.0000800700000000, 0.0004865400000000, -0.0000219200000000 ] - [ -0.0006608000000000, 0.0012437800000000, -0.0005047400000000 ] - [ 0.0000025300000000, 0.0002622400000000, -0.0000219300000000 ] - [ -0.0000551100000000, -0.0017553100000000, -0.0009709500000000 ] - [ 0.0001554200000000, -0.0002213500000000, 0.0000505700000000 ] - [ 0.0002811000000000, -0.0001250500000000, 0.0009353900000000 ] - [ -0.0000857300000000, -0.0003748300000000, -0.0000898200000000 ] - [ -0.0043785200000000, -0.0074272200000000, -0.0079413300000000 ] - [ 0.0000357700000000, -0.0001332700000000, 0.0001813300000000 ] - [ 0.0010285600000000, -0.0001123200000000, -0.0003694900000000 ] - [ -0.0003334300000000, -0.0000736800000000, -0.0001941500000000 ] - [ 0.0002159200000000, 0.0010485600000000, 0.0000472000000000 ] - [ 0.0001831700000000, 0.0000997200000000, -0.0001893600000000 ] - [ -0.0006001600000000, -0.0015155300000000, 0.0008520700000000 ] - [ 0.0001822900000000, -0.0000577100000000, 0.0001864900000000 ] - [ 0.0015097200000000, 0.0036924500000000, 0.0005272900000000 ] - [ 0.0004696200000000, 0.0003387200000000, 0.0002187900000000 ] - [ 0.0004660300000000, 0.0007156200000000, -0.0006921400000000 ] - [ 0.0000504200000000, 0.0000281900000000, 0.0002837300000000 ] - [ -0.0004486300000000, -0.0000169300000000, 0.0010623100000000 ] - [ 0.0001201000000000, 0.0000473200000000, 0.0002148200000000 ] - [ -0.0002477900000000, 0.0024086000000000, -0.0002939600000000 ] - [ -0.0003698800000000, 0.0003921500000000, -0.0003975300000000 ] - [ 0.0005995800000000, 0.0015718500000000, -0.0003380600000000 ] - [ 0.0001619100000000, -0.0000038800000000, -0.0002158300000000 ] - [ 0.0023499900000000, -0.0021854000000000, -0.0017099700000000 ] - [ 0.0001287900000000, 0.0002933200000000, 0.0002987100000000 ] - [ 0.0005899200000000, -0.0000945100000000, -0.0000778900000000 ] - [ 0.0005121800000000, -0.0003065000000000, 0.0002136000000000 ] - [ -0.0032427400000000, 0.0016215400000000, -0.0023023600000000 ] - [ -0.0000791600000000, -0.0000952800000000, -0.0003238700000000 ] - [ 0.0000234100000000, -0.0050207700000000, 0.0018892400000000 ] - [ 0.0000218000000000, -0.0000386300000000, 0.0002924500000000 ] - [ -0.0023248400000000, 0.0001539100000000, 0.0017034800000000 ] - [ -0.0005539000000000, 0.0001282400000000, -0.0002564600000000 ] - [ -0.0001595100000000, 0.0001149900000000, -0.0004557500000000 ] - [ -0.0003763300000000, -0.0002751900000000, -0.0003717200000000 ] - [ -0.0010328300000000, -0.0029319400000000, 0.0003348300000000 ] - [ -0.0004842900000000, -0.0000903600000000, 0.0002449700000000 ] - [ 0.0006451600000000, -0.0043582200000000, 0.0011180700000000 ] - [ 0.0002267900000000, -0.0003950500000000, 0.0003508900000000 ] - [ 0.0003460400000000, 0.0005639900000000, -0.0002533300000000 ] - [ -0.0004804900000000, 0.0003373800000000, -0.0003394000000000 ] - [ 0.0002010500000000, 0.0002539300000000, -0.0003187400000000 ] - [ -0.0003168000000000, 0.0002157800000000, -0.0004389600000000 ] - [ 0.0005518500000000, 0.0008618500000000, 0.0013068500000000 ] - [ -0.0006850200000000, -0.0002555100000000, -0.0002824600000000 ] - [ -0.0004332900000000, 0.0003295800000000, -0.0002725800000000 ] - [ 0.0000414200000000, 0.0003103000000000, -0.0002413300000000 ] - [ -0.0000668200000000, -0.0003719600000000, 0.0002987400000000 ] - [ -0.0003702100000000, -0.0002204600000000, 0.0000072400000000 ] - [ -0.0007792000000000, -0.0001662200000000, 0.0000486500000000 ] - [ 0.0007726800000000, -0.0006241800000000, 0.0002093300000000 ] - [ -0.0004212500000000, 0.0000328300000000, -0.0008802300000000 ] - [ -0.0000386900000000, 0.0000594100000000, -0.0000941200000000 ] - [ -0.0003486700000000, 0.0001643400000000, 0.0000754400000000 ] - [ 0.0008188800000000, -0.0001139400000000, 0.0002962200000000 ] - [ -0.0002550400000000, 0.0003215700000000, -0.0000647700000000 ] - [ -0.0001645000000000, 0.0005917100000000, 0.0001174400000000 ] - [ 0.0001839600000000, -0.0000401600000000, 0.0001616800000000 ] - [ -0.0003003800000000, -0.0001073400000000, -0.0003029900000000 ] - [ 0.0003664000000000, -0.0001268800000000, 0.0002061400000000 ] - [ -0.0005114700000000, -0.0002425500000000, 0.0001315900000000 ] - [ 0.0002677500000000, 0.0024695100000000, 0.0001862400000000 ] - [ -0.0001190300000000, -0.0004159200000000, -0.0001571900000000 ] - [ 0.0003655600000000, 0.0018141500000000, -0.0000711800000000 ] - [ -0.0000434800000000, 0.0007369800000000, -0.0002275500000000 ] - [ 0.0314522800000000, -0.0697881900000000, 0.0122215000000000 ] - [ 0.0001256300000000, -0.0007003700000000, 0.0001505000000000 ] - [ 0.0004139100000000, -0.0018982600000000, 0.0000598500000000 ] - [ 0.0000616100000000, 0.0005264500000000, 0.0000571800000000 ] - [ -0.0004953200000000, 0.0010671200000000, 0.0010133000000000 ] - [ 0.0000759000000000, -0.0005073600000000, -0.0001025900000000 ] - [ -0.0009814600000000, 0.0027019100000000, -0.0001978600000000 ] - [ -0.0002112100000000, 0.0008793500000000, -0.0001676400000000 ] - [ -0.0001244100000000, -0.0010814100000000, -0.0002373800000000 ] - [ -0.0020901900000000, -0.0002361600000000, -0.0005553000000000 ] - [ 0.0002484900000000, -0.0007771000000000, -0.0003869500000000 ] - [ -0.0004331500000000, 0.0000470600000000, 0.0001460000000000 ] - [ -0.0025044700000000, -0.0025115200000000, -0.0014191000000000 ] - [ 0.0003927900000000, 0.0002433500000000, -0.0001968400000000 ] - [ 0.0053386400000000, 0.0044521300000000, 0.0020660500000000 ] - [ -0.0002455200000000, 0.0004560900000000, -0.0002751600000000 ] - [ -0.0015912200000000, -0.0030180400000000, -0.0005013200000000 ] - [ -0.0000146600000000, 0.0000140100000000, 0.0003242800000000 ] - [ 0.0003052400000000, -0.0015720400000000, 0.0002252000000000 ] - [ 0.0001086600000000, -0.0005336900000000, -0.0001771800000000 ] - [ 0.0009919900000000, -0.0031907900000000, 0.0001998700000000 ] - [ 0.0006900000000000, -0.0003610800000000, 0.0001230500000000 ] - [ -0.0004254000000000, 0.0008921900000000, -0.0004152700000000 ] - [ -0.0002326400000000, 0.0001093100000000, -0.0001801500000000 ] - [ 0.0001663200000000, -0.0013923500000000, -0.0000734000000000 ] - [ -0.0001542700000000, -0.0002849700000000, 0.0002981500000000 ] - [ 0.0034054100000000, -0.0110868900000000, 0.0120244500000000 ] - [ -0.0001069200000000, 0.0001616700000000, 0.0004750600000000 ] - [ 0.0000628300000000, -0.0008510900000000, 0.0000676300000000 ] - [ 0.0006511600000000, 0.0000838100000000, 0.0001475600000000 ] - [ -0.0422290600000000, 0.1068367400000000, -0.0082588200000000 ] - [ 0.0006160700000000, 0.0001048200000000, 0.0003108800000000 ] - [ 0.0003721600000000, 0.0023120900000000, -0.0016529400000000 ] - [ 0.0000120600000000, 0.0002561400000000, -0.0001456300000000 ] - [ -0.0010790500000000, 0.0027033800000000, 0.0023773800000000 ] - [ -0.0000824700000000, -0.0000331200000000, 0.0005464500000000 ] - [ 0.0004418200000000, 0.0016381900000000, 0.0005627600000000 ] - [ 0.0006537100000000, 0.0000741100000000, 0.0003969600000000 ] - [ -0.0004443200000000, -0.0016292900000000, -0.0003739900000000 ] - [ 0.0002477500000000, -0.0001415900000000, 0.0002102600000000 ] - [ 0.0107981400000000, -0.0140635500000000, -0.0091902100000000 ] - [ -0.0000432500000000, -0.0001105500000000, -0.0002050000000000 ] - [ -0.0010058700000000, -0.0014467700000000, -0.0005557800000000 ] - [ -0.0004478500000000, -0.0002841800000000, -0.0002577000000000 ] - [ 0.0018698000000000, -0.0019381900000000, -0.0017513700000000 ] - [ 0.0000292100000000, 0.0001642000000000, -0.0005240300000000 ] - [ 0.0004812000000000, -0.0008436200000000, -0.0001815300000000 ] - [ -0.0000929800000000, -0.0002229400000000, 0.0001601700000000 ] - [ 0.0002113200000000, -0.0026337300000000, 0.0009035500000000 ] - [ -0.0003666000000000, -0.0001343100000000, -0.0002654600000000 ] - [ -0.0003868600000000, 0.0011590600000000, -0.0001085400000000 ] - [ 0.0003447100000000, 0.0007184900000000, 0.0002417300000000 ] - [ 0.0000131500000000, -0.0014859500000000, -0.0005573400000000 ] - [ 0.0003074200000000, -0.0004241300000000, -0.0003948000000000 ] - [ -0.0004717600000000, -0.0000143500000000, -0.0001492100000000 ] - [ 0.0014350100000000, 0.0000712400000000, -0.0002000400000000 ] - [ 0.0007665400000000, -0.0004101300000000, 0.0002239000000000 ] - [ -0.0002668600000000, -0.0009711600000000, 0.0001266600000000 ] - [ -0.0014801200000000, 0.0010611000000000, -0.0007790000000000 ] - [ -0.0003813600000000, 0.0004414300000000, -0.0000601900000000 ] - [ -0.0001955900000000, 0.0004932800000000, 0.0002480900000000 ] - [ 0.0008592500000000, 0.0003338600000000, 0.0008604800000000 ] - [ 0.0002550700000000, 0.0005439300000000, -0.0001840600000000 ] - [ 0.0001308800000000, 0.0006311900000000, -0.0004913600000000 ] - [ 0.0006331300000000, -0.0008157400000000, 0.0005033600000000 ] - [ 0.0003288300000000, -0.0006801500000000, 0.0003326400000000 ] - [ 0.0010770700000000, 0.0015012800000000, 0.0009551900000000 ] - [ -0.0000788700000000, 0.0002881500000000, 0.0001836700000000 ]- atom: 99 displacement: [ -0.0030577532044204, 0.0000000000000000, 0.0095210369887348 ] forces: - [ 0.0001010900000000, 0.0001211300000000, 0.0005109600000000 ] - [ 0.0000528800000000, 0.0003869100000000, 0.0000572600000000 ] - [ -0.0003978100000000, 0.0004396600000000, 0.0001925600000000 ] - [ 0.0000382500000000, 0.0001515900000000, -0.0000939500000000 ] - [ -0.0011363800000000, 0.0002418800000000, -0.0015075500000000 ] - [ 0.0002150400000000, -0.0001653900000000, -0.0001887300000000 ] - [ 0.0000454100000000, -0.0006760700000000, -0.0010594100000000 ] - [ 0.0000037500000000, -0.0003029500000000, -0.0001179900000000 ] - [ 0.0037013600000000, 0.0040363200000000, 0.0098623700000000 ] - [ 0.0001914100000000, -0.0000599500000000, 0.0001595300000000 ] - [ 0.0007698100000000, 0.0001781000000000, -0.0004496500000000 ] - [ -0.0001215700000000, -0.0000821600000000, 0.0000333700000000 ] - [ 0.0004021000000000, -0.0000838400000000, -0.0003344800000000 ] - [ 0.0002413000000000, 0.0000616500000000, -0.0002205200000000 ] - [ 0.0029027200000000, -0.0003438300000000, -0.0001496900000000 ] - [ 0.0001169900000000, 0.0001013900000000, 0.0003459900000000 ] - [ 0.0003890000000000, 0.0005867200000000, 0.0014973400000000 ] - [ 0.0005891800000000, 0.0002784600000000, 0.0002521200000000 ] - [ 0.0002205500000000, 0.0006999900000000, -0.0007417000000000 ] - [ 0.0000938200000000, -0.0000300300000000, 0.0002667400000000 ] - [ 0.0008507000000000, -0.0003511300000000, -0.0006062400000000 ] - [ 0.0000566100000000, 0.0000126600000000, 0.0002468000000000 ] - [ -0.0004612300000000, 0.0003507800000000, 0.0002028000000000 ] - [ -0.0002884800000000, 0.0003496400000000, -0.0003524500000000 ] - [ 0.0004127600000000, 0.0003543800000000, -0.0002567500000000 ] - [ 0.0002296000000000, -0.0000563800000000, -0.0001427800000000 ] - [ 0.0033598700000000, 0.0015142000000000, -0.0035559700000000 ] - [ 0.0002863500000000, 0.0003472200000000, 0.0003621000000000 ] - [ 0.0007298600000000, -0.0001069100000000, -0.0008919000000000 ] - [ 0.0004928000000000, -0.0002618200000000, 0.0002119000000000 ] - [ -0.0014485100000000, 0.0007361300000000, 0.0012684200000000 ] - [ -0.0000499600000000, -0.0000061000000000, -0.0003129400000000 ] - [ -0.0005803300000000, -0.0010329100000000, 0.0048795800000000 ] - [ 0.0001317200000000, 0.0000234000000000, 0.0003588700000000 ] - [ 0.0016346800000000, -0.0019532900000000, -0.0015214800000000 ] - [ -0.0006138400000000, 0.0002753200000000, -0.0002141800000000 ] - [ -0.0002048900000000, -0.0003456700000000, -0.0007443800000000 ] - [ -0.0003806600000000, -0.0003455900000000, -0.0003977700000000 ] - [ -0.0012238900000000, -0.0003202300000000, 0.0030473300000000 ] - [ -0.0001375300000000, 0.0000487700000000, 0.0002415200000000 ] - [ -0.0007525300000000, 0.0007606300000000, 0.0039662800000000 ] - [ 0.0003061700000000, -0.0003465700000000, 0.0003604100000000 ] - [ -0.0000050400000000, 0.0001481700000000, -0.0000114500000000 ] - [ -0.0000732300000000, -0.0000646200000000, -0.0000717400000000 ] - [ 0.0001284500000000, 0.0001526200000000, -0.0007323400000000 ] - [ -0.0002273700000000, 0.0000381300000000, -0.0003383400000000 ] - [ -0.0012882900000000, -0.0017244100000000, -0.0007244300000000 ] - [ -0.0005643100000000, -0.0002797100000000, -0.0002651600000000 ] - [ -0.0002645400000000, -0.0001616900000000, 0.0001551600000000 ] - [ 0.0000271400000000, -0.0001051600000000, -0.0000439800000000 ] - [ -0.0000406500000000, -0.0001286500000000, -0.0013324900000000 ] - [ -0.0003945600000000, -0.0000321300000000, 0.0001067800000000 ] - [ 0.0003016500000000, -0.0000965600000000, 0.0004220500000000 ] - [ 0.0002522000000000, 0.0001003200000000, 0.0005003300000000 ] - [ -0.0003342200000000, 0.0002687800000000, -0.0006732800000000 ] - [ -0.0001895800000000, 0.0000101000000000, -0.0003800900000000 ] - [ 0.0002924400000000, 0.0002712100000000, -0.0002335400000000 ] - [ -0.0007793900000000, 0.0003132300000000, -0.0000904800000000 ] - [ -0.0001110700000000, 0.0001011300000000, -0.0002879900000000 ] - [ -0.0002994900000000, 0.0000955100000000, -0.0002670100000000 ] - [ -0.0001326300000000, -0.0003031300000000, -0.0002461900000000 ] - [ -0.0000871100000000, -0.0001246400000000, -0.0002671200000000 ] - [ -0.0002789400000000, -0.0004083800000000, 0.0002711300000000 ] - [ 0.0001952800000000, -0.0003948600000000, -0.0000642500000000 ] - [ -0.0005142200000000, -0.0005789100000000, 0.0020816000000000 ] - [ 0.0003918300000000, -0.0004655500000000, -0.0001151900000000 ] - [ 0.0005075300000000, 0.0005794200000000, -0.0008368400000000 ] - [ 0.0000167400000000, 0.0005659400000000, -0.0001886400000000 ] - [ -0.0080922700000000, -0.0018427800000000, 0.0273469000000000 ] - [ 0.0004297000000000, -0.0005844000000000, 0.0002418000000000 ] - [ 0.0015070700000000, 0.0005392700000000, -0.0038594800000000 ] - [ -0.0001038500000000, 0.0007292200000000, 0.0000434800000000 ] - [ 0.0000732600000000, -0.0009219800000000, -0.0002955100000000 ] - [ -0.0003388500000000, -0.0006792800000000, -0.0000019900000000 ] - [ -0.0007435900000000, 0.0010008400000000, -0.0002240200000000 ] - [ -0.0001327900000000, 0.0006659200000000, -0.0002810900000000 ] - [ 0.0007196700000000, 0.0004606200000000, 0.0003831900000000 ] - [ -0.0005715800000000, -0.0002991000000000, 0.0002423100000000 ] - [ -0.0012723200000000, 0.0012968400000000, -0.0002691800000000 ] - [ 0.0001648800000000, 0.0005711100000000, -0.0004647400000000 ] - [ -0.0011263100000000, -0.0010845000000000, -0.0024611000000000 ] - [ -0.0000364500000000, 0.0003808800000000, -0.0003686600000000 ] - [ 0.0021538900000000, -0.0001413200000000, -0.0047953100000000 ] - [ -0.0008289100000000, 0.0001106500000000, -0.0005029300000000 ] - [ 0.0012241500000000, 0.0027541800000000, 0.0001574800000000 ] - [ -0.0003386300000000, 0.0000438800000000, 0.0004081100000000 ] - [ 0.0000869900000000, -0.0006469800000000, 0.0005190800000000 ] - [ 0.0001637800000000, -0.0002901600000000, -0.0001216700000000 ] - [ 0.0007535800000000, -0.0002267700000000, -0.0009640000000000 ] - [ 0.0004290800000000, -0.0001643800000000, 0.0000488300000000 ] - [ -0.0008809200000000, -0.0001512300000000, 0.0007867000000000 ] - [ 0.0003827800000000, -0.0002710300000000, -0.0000884800000000 ] - [ -0.0006828600000000, 0.0002490600000000, 0.0008008200000000 ] - [ -0.0000729500000000, -0.0000063900000000, 0.0002428700000000 ] - [ 0.0040357500000000, -0.0113247000000000, 0.0027320700000000 ] - [ -0.0003058200000000, 0.0001359700000000, 0.0005118200000000 ] - [ 0.0002029500000000, 0.0000556900000000, 0.0006909300000000 ] - [ 0.0006388100000000, 0.0001643800000000, 0.0001120400000000 ] - [ 0.0031572200000000, -0.0052455600000000, -0.0435729700000000 ] - [ 0.0003547900000000, 0.0000372800000000, 0.0002427300000000 ] - [ -0.0006890900000000, 0.0002576200000000, 0.0047471200000000 ] - [ -0.0000033300000000, 0.0001026700000000, -0.0000952200000000 ] - [ -0.0033931300000000, -0.0003991000000000, 0.0049287200000000 ] - [ -0.0000690900000000, -0.0002177000000000, 0.0004365800000000 ] - [ -0.0006163800000000, 0.0002500600000000, 0.0037051200000000 ] - [ 0.0006272700000000, 0.0000335500000000, 0.0003623300000000 ] - [ 0.0004048800000000, 0.0001738300000000, -0.0003386900000000 ] - [ -0.0000034800000000, 0.0001551700000000, 0.0002490300000000 ] - [ -0.0043170400000000, 0.0122933200000000, -0.0013543500000000 ] - [ -0.0001504700000000, -0.0001577400000000, -0.0003017200000000 ] - [ -0.0006632800000000, -0.0000770200000000, -0.0002385400000000 ] - [ -0.0004030900000000, 0.0000366000000000, -0.0003410600000000 ] - [ -0.0001356100000000, 0.0009286800000000, -0.0012232200000000 ] - [ 0.0001858400000000, 0.0001195800000000, -0.0006306300000000 ] - [ -0.0003228300000000, 0.0003413800000000, 0.0008392200000000 ] - [ 0.0003487400000000, -0.0000340600000000, 0.0001946400000000 ] - [ 0.0001874700000000, -0.0009408900000000, 0.0000111600000000 ] - [ -0.0004656000000000, -0.0000038800000000, -0.0002256700000000 ] - [ -0.0028826100000000, -0.0004733700000000, -0.0000232400000000 ] - [ -0.0002765700000000, -0.0001760900000000, -0.0002359200000000 ] - [ 0.0003443200000000, 0.0000561500000000, 0.0000994900000000 ] - [ 0.0002751500000000, -0.0001905300000000, -0.0003176200000000 ] - [ -0.0000974700000000, -0.0003048300000000, -0.0008066100000000 ] - [ 0.0000857300000000, -0.0002149200000000, -0.0009989800000000 ] - [ -0.0000194500000000, 0.0002790600000000, 0.0002948700000000 ] - [ 0.0005383600000000, 0.0002114000000000, -0.0002347000000000 ] - [ 0.0019529500000000, 0.0006721100000000, 0.0005543100000000 ] - [ -0.0006113900000000, 0.0001742200000000, 0.0001371500000000 ] - [ -0.0004304600000000, -0.0000089200000000, 0.0007267300000000 ] - [ 0.0004818200000000, 0.0004658100000000, 0.0000273700000000 ] - [ 0.0005012200000000, -0.0003116800000000, 0.0003513200000000 ] - [ 0.0004028300000000, -0.0001062400000000, 0.0003721500000000 ] - [ 0.0006496100000000, -0.0002973500000000, 0.0004201700000000 ] - [ 0.0001255300000000, -0.0002184000000000, 0.0005766100000000 ] - [ 0.0008316200000000, -0.0003482400000000, -0.0002440700000000 ] - [ -0.0006400200000000, -0.0003477800000000, 0.0005058700000000 ]- atom: 99 displacement: [ 0.0030577532044204, 0.0000000000000000, -0.0095210369887348 ] forces: - [ -0.0000124600000000, 0.0005728600000000, -0.0005482100000000 ] - [ 0.0000321700000000, 0.0003149600000000, -0.0000930400000000 ] - [ 0.0003870700000000, -0.0001729700000000, -0.0002279100000000 ] - [ -0.0000497100000000, 0.0001219000000000, 0.0000564900000000 ] - [ 0.0014546300000000, -0.0005237200000000, 0.0016586100000000 ] - [ 0.0001176000000000, -0.0001241900000000, 0.0003353000000000 ] - [ 0.0000355900000000, -0.0000280800000000, 0.0010229000000000 ] - [ 0.0000823800000000, -0.0003997300000000, 0.0000820800000000 ] - [ -0.0032656900000000, -0.0039086100000000, -0.0092763400000000 ] - [ 0.0000820400000000, -0.0000198700000000, 0.0002531000000000 ] - [ -0.0007872400000000, -0.0004531100000000, 0.0004101700000000 ] - [ 0.0001106000000000, -0.0001912800000000, -0.0000712900000000 ] - [ 0.0000994700000000, 0.0002015300000000, -0.0000200800000000 ] - [ 0.0002629700000000, 0.0000588600000000, -0.0001339500000000 ] - [ -0.0025775900000000, 0.0006425200000000, 0.0002798600000000 ] - [ 0.0002131700000000, 0.0001891500000000, -0.0002008600000000 ] - [ 0.0007315600000000, -0.0000499700000000, -0.0010118200000000 ] - [ 0.0005380400000000, 0.0002720400000000, 0.0002344200000000 ] - [ 0.0000317900000000, -0.0007460200000000, 0.0013767200000000 ] - [ 0.0001650400000000, -0.0000191400000000, 0.0003660600000000 ] - [ -0.0005805600000000, 0.0004364300000000, 0.0010124100000000 ] - [ 0.0002162700000000, 0.0000676400000000, 0.0001654000000000 ] - [ -0.0001741300000000, 0.0003339300000000, -0.0009387400000000 ] - [ -0.0003454300000000, 0.0003389300000000, -0.0003830000000000 ] - [ 0.0000884100000000, -0.0004807800000000, -0.0000990800000000 ] - [ 0.0002742400000000, -0.0000643000000000, -0.0002117600000000 ] - [ -0.0027457000000000, -0.0008314900000000, 0.0043305900000000 ] - [ 0.0003515100000000, 0.0003416400000000, 0.0003739200000000 ] - [ 0.0003959400000000, -0.0004492000000000, 0.0013798000000000 ] - [ 0.0006339000000000, -0.0002887300000000, 0.0002748200000000 ] - [ 0.0011828000000000, -0.0007676600000000, -0.0019125700000000 ] - [ -0.0002066100000000, -0.0000420300000000, -0.0003201600000000 ] - [ 0.0009181500000000, 0.0012417200000000, -0.0043446600000000 ] - [ 0.0001263900000000, 0.0000257500000000, 0.0002737100000000 ] - [ -0.0027489400000000, 0.0024911300000000, 0.0010348300000000 ] - [ -0.0005105000000000, 0.0002767700000000, -0.0002717700000000 ] - [ -0.0004304900000000, -0.0003447300000000, 0.0000086800000000 ] - [ -0.0002534600000000, -0.0003434600000000, -0.0003373000000000 ] - [ 0.0007130100000000, 0.0004422300000000, -0.0026944900000000 ] - [ -0.0003629400000000, 0.0000724900000000, 0.0001111800000000 ] - [ 0.0013929000000000, -0.0015424100000000, -0.0036625600000000 ] - [ 0.0003296100000000, -0.0003420000000000, 0.0003751000000000 ] - [ -0.0002678700000000, -0.0002299800000000, -0.0003995600000000 ] - [ -0.0001965700000000, -0.0000179100000000, -0.0003402800000000 ] - [ -0.0003851800000000, -0.0001015500000000, 0.0001002800000000 ] - [ -0.0000286100000000, 0.0000091900000000, -0.0002929300000000 ] - [ 0.0001615400000000, 0.0011795500000000, 0.0002297600000000 ] - [ -0.0005604700000000, -0.0002708000000000, -0.0002211700000000 ] - [ -0.0000652200000000, -0.0001292100000000, -0.0003007200000000 ] - [ -0.0003580900000000, -0.0001862100000000, -0.0001026000000000 ] - [ -0.0004551900000000, 0.0000091900000000, 0.0016938200000000 ] - [ -0.0001073800000000, -0.0000875400000000, 0.0002506100000000 ] - [ -0.0002881000000000, 0.0003711100000000, -0.0003821800000000 ] - [ -0.0002385700000000, 0.0001793200000000, -0.0004654700000000 ] - [ 0.0000653100000000, -0.0001908100000000, 0.0002620100000000 ] - [ -0.0000827700000000, 0.0000702100000000, -0.0000321800000000 ] - [ -0.0003740700000000, 0.0004302900000000, 0.0002701100000000 ] - [ 0.0006927200000000, 0.0003936200000000, 0.0001280300000000 ] - [ -0.0002184300000000, 0.0001885600000000, 0.0001422500000000 ] - [ -0.0000314400000000, 0.0001932600000000, 0.0001214200000000 ] - [ 0.0001462400000000, 0.0000307400000000, 0.0002842000000000 ] - [ 0.0000992100000000, -0.0001489700000000, 0.0003069800000000 ] - [ 0.0001937600000000, -0.0002951800000000, -0.0002373700000000 ] - [ -0.0002785600000000, -0.0003077800000000, 0.0000980900000000 ] - [ 0.0009722000000000, -0.0004439400000000, -0.0023763700000000 ] - [ 0.0000689700000000, -0.0005517700000000, -0.0001785600000000 ] - [ -0.0000511300000000, 0.0004320400000000, 0.0005408900000000 ] - [ 0.0004440500000000, 0.0004506700000000, -0.0001063900000000 ] - [ 0.0083247800000000, 0.0007584100000000, -0.0270926400000000 ] - [ -0.0000214400000000, -0.0007277300000000, 0.0000843300000000 ] - [ -0.0011142100000000, 0.0007830000000000, 0.0041852200000000 ] - [ 0.0005129300000000, 0.0005834700000000, 0.0002828400000000 ] - [ -0.0004779600000000, -0.0003948800000000, -0.0000288300000000 ] - [ -0.0000670800000000, -0.0006334100000000, -0.0003233700000000 ] - [ 0.0003406100000000, 0.0003069700000000, -0.0001030000000000 ] - [ -0.0002735500000000, 0.0006446900000000, -0.0000453100000000 ] - [ -0.0011749900000000, -0.0014713000000000, -0.0000813900000000 ] - [ 0.0001533400000000, -0.0007352600000000, 0.0000623500000000 ] - [ 0.0008206700000000, -0.0002824000000000, 0.0005605400000000 ] - [ -0.0006283200000000, 0.0004451800000000, 0.0007575800000000 ] - [ 0.0012360800000000, 0.0017612500000000, 0.0019755200000000 ] - [ 0.0001362700000000, 0.0002927200000000, -0.0001250100000000 ] - [ -0.0027990000000000, 0.0005912200000000, 0.0041040800000000 ] - [ 0.0002851700000000, 0.0003058800000000, -0.0001401200000000 ] - [ -0.0016502800000000, -0.0026983700000000, 0.0004967200000000 ] - [ -0.0000944000000000, 0.0000033100000000, 0.0002432900000000 ] - [ 0.0000160300000000, -0.0000222300000000, -0.0010137600000000 ] - [ -0.0000640800000000, -0.0003833400000000, -0.0003712600000000 ] - [ 0.0002601100000000, -0.0001021100000000, 0.0011002000000000 ] - [ 0.0005821100000000, -0.0001715200000000, 0.0000868100000000 ] - [ 0.0003503600000000, -0.0002728000000000, -0.0014245800000000 ] - [ -0.0009280200000000, -0.0001467200000000, -0.0005530700000000 ] - [ 0.0002518300000000, -0.0002916000000000, -0.0001458400000000 ] - [ -0.0003596100000000, -0.0000392400000000, 0.0004093600000000 ] - [ -0.0044644100000000, 0.0116560400000000, -0.0018551700000000 ] - [ -0.0001468100000000, 0.0002127400000000, 0.0004109400000000 ] - [ 0.0008138800000000, 0.0002874300000000, -0.0005537100000000 ] - [ 0.0003722500000000, 0.0001721300000000, 0.0000239700000000 ] - [ -0.0022166300000000, 0.0047304900000000, 0.0446020100000000 ] - [ 0.0005621200000000, -0.0000223400000000, 0.0003404200000000 ] - [ 0.0004810500000000, 0.0000190200000000, -0.0051589700000000 ] - [ -0.0002154600000000, 0.0001701900000000, -0.0003298100000000 ] - [ 0.0029632400000000, 0.0000553900000000, -0.0040134300000000 ] - [ -0.0003826400000000, -0.0001305300000000, 0.0004866000000000 ] - [ 0.0015458900000000, -0.0002764700000000, -0.0031213100000000 ] - [ 0.0002895000000000, -0.0000490200000000, 0.0002195300000000 ] - [ -0.0001869100000000, 0.0001039600000000, 0.0007660000000000 ] - [ 0.0002191300000000, 0.0001201500000000, 0.0001764700000000 ] - [ 0.0040786100000000, -0.0125676400000000, 0.0009910900000000 ] - [ -0.0000668200000000, -0.0001154500000000, -0.0001225500000000 ] - [ -0.0002542700000000, 0.0000943000000000, -0.0003462600000000 ] - [ -0.0005173800000000, -0.0000207400000000, -0.0002432400000000 ] - [ 0.0005841900000000, -0.0005755800000000, 0.0002965600000000 ] - [ 0.0002643600000000, 0.0002279600000000, -0.0002923900000000 ] - [ 0.0005363800000000, -0.0006092500000000, -0.0004158300000000 ] - [ -0.0001321000000000, -0.0002395400000000, 0.0002280600000000 ] - [ -0.0011102700000000, 0.0009330900000000, -0.0005956500000000 ] - [ -0.0004537800000000, -0.0000108800000000, -0.0003583100000000 ] - [ 0.0018596600000000, 0.0001329400000000, -0.0001218000000000 ] - [ -0.0007510300000000, -0.0001665300000000, 0.0000946300000000 ] - [ 0.0001060100000000, -0.0004030000000000, -0.0010216400000000 ] - [ 0.0001757000000000, -0.0001565300000000, -0.0006069700000000 ] - [ 0.0005359900000000, 0.0003548300000000, 0.0001482100000000 ] - [ 0.0003330000000000, 0.0002684700000000, 0.0003534300000000 ] - [ 0.0005589000000000, 0.0001403100000000, 0.0003446300000000 ] - [ 0.0000042600000000, 0.0002101800000000, 0.0008756600000000 ] - [ -0.0029817700000000, -0.0003419900000000, -0.0006845500000000 ] - [ -0.0004003600000000, 0.0001619300000000, -0.0002734800000000 ] - [ 0.0003266000000000, 0.0006788500000000, -0.0002367500000000 ] - [ -0.0005897700000000, 0.0002157200000000, 0.0004532800000000 ] - [ -0.0000758300000000, 0.0002656400000000, -0.0010030000000000 ] - [ 0.0000320800000000, 0.0000577700000000, -0.0010257600000000 ] - [ -0.0001105600000000, -0.0001186900000000, 0.0002203400000000 ] - [ 0.0004170700000000, -0.0001979900000000, 0.0000645900000000 ] - [ -0.0009336200000000, -0.0003289800000000, 0.0007435800000000 ] - [ 0.0005410600000000, -0.0003266600000000, -0.0000092800000000 ]- atom: 101 displacement: [ 0.0099997439015081, 0.0000000000000000, 0.0000715674804079 ] forces: - [ 0.0003513100000000, 0.0004028600000000, 0.0002162100000000 ] - [ -0.0002649500000000, 0.0003342600000000, -0.0001657600000000 ] - [ 0.0003862300000000, 0.0005021400000000, 0.0002300600000000 ] - [ -0.0003730900000000, 0.0000850000000000, -0.0001293400000000 ] - [ 0.0011024600000000, 0.0011076100000000, 0.0021260000000000 ] - [ -0.0004080900000000, -0.0001931100000000, 0.0000082000000000 ] - [ 0.0091514300000000, 0.0044096000000000, 0.0024359300000000 ] - [ -0.0004070500000000, -0.0003112300000000, -0.0000393600000000 ] - [ 0.0026028400000000, 0.0004287500000000, 0.0013117400000000 ] - [ -0.0003297700000000, -0.0001030900000000, 0.0000707000000000 ] - [ 0.0011690700000000, -0.0004039500000000, -0.0008082600000000 ] - [ -0.0003603900000000, -0.0000919500000000, -0.0001817400000000 ] - [ 0.0015373000000000, -0.0004676900000000, 0.0000074100000000 ] - [ -0.0001904200000000, 0.0000769200000000, -0.0002583600000000 ] - [ 0.0010201800000000, 0.0000834100000000, 0.0001931200000000 ] - [ -0.0002364600000000, 0.0001354200000000, -0.0001976000000000 ] - [ 0.0010559700000000, 0.0002529000000000, 0.0003344800000000 ] - [ 0.0001943900000000, 0.0002574800000000, 0.0000798000000000 ] - [ 0.0015248500000000, -0.0002297200000000, 0.0003690500000000 ] - [ -0.0002602800000000, 0.0000311400000000, 0.0002346400000000 ] - [ 0.0010870700000000, -0.0001567700000000, 0.0004030200000000 ] - [ -0.0002217700000000, 0.0001087400000000, 0.0000722800000000 ] - [ 0.0004190900000000, 0.0004652900000000, -0.0002608400000000 ] - [ -0.0007030800000000, 0.0003151800000000, -0.0005107400000000 ] - [ 0.0007838100000000, 0.0000623500000000, 0.0001915800000000 ] - [ -0.0001519400000000, -0.0000696900000000, -0.0003464200000000 ] - [ 0.0055458400000000, 0.0018452400000000, 0.0009414400000000 ] - [ -0.0002043200000000, 0.0003758100000000, 0.0002989200000000 ] - [ 0.0053604500000000, -0.0005089300000000, -0.0009056000000000 ] - [ 0.0000272000000000, -0.0002945000000000, 0.0001041500000000 ] - [ 0.0000902600000000, -0.0000362700000000, -0.0005352200000000 ] - [ -0.0004052600000000, -0.0002171600000000, -0.0006198200000000 ] - [ 0.0005666600000000, 0.0002398000000000, 0.0016142500000000 ] - [ -0.0002854500000000, -0.0000475200000000, 0.0000961300000000 ] - [ 0.0028334900000000, 0.0007323400000000, 0.0008737000000000 ] - [ -0.0010561500000000, 0.0002732200000000, -0.0002971100000000 ] - [ 0.0000486600000000, 0.0002899200000000, -0.0001113000000000 ] - [ -0.0007553600000000, -0.0003710900000000, -0.0004922500000000 ] - [ -0.0000354800000000, -0.0000475000000000, -0.0003215500000000 ] - [ -0.0005730700000000, 0.0001070800000000, -0.0000815700000000 ] - [ 0.0000396600000000, -0.0006441000000000, 0.0014388800000000 ] - [ -0.0003052200000000, -0.0002896700000000, 0.0000401400000000 ] - [ -0.0000951300000000, -0.0000677300000000, -0.0003762100000000 ] - [ -0.0003116800000000, 0.0000889700000000, -0.0001681600000000 ] - [ -0.0003036100000000, -0.0004304000000000, -0.0003938400000000 ] - [ -0.0004620300000000, 0.0002195900000000, -0.0003802100000000 ] - [ -0.0005305300000000, -0.0004500900000000, 0.0001988200000000 ] - [ -0.0009473200000000, -0.0001702000000000, -0.0004509500000000 ] - [ -0.0003662000000000, -0.0000271100000000, -0.0003292200000000 ] - [ -0.0000949500000000, -0.0002042600000000, -0.0000281500000000 ] - [ -0.0027444400000000, -0.0009816400000000, 0.0006237400000000 ] - [ -0.0012718900000000, 0.0001813500000000, 0.0001510500000000 ] - [ -0.0006214300000000, 0.0002788700000000, -0.0005754700000000 ] - [ -0.0000636800000000, 0.0000122800000000, 0.0002853900000000 ] - [ -0.0007602300000000, 0.0002904700000000, 0.0001316200000000 ] - [ -0.0010807200000000, -0.0006491100000000, -0.0008166300000000 ] - [ -0.0012218300000000, 0.0005844400000000, -0.0001253100000000 ] - [ -0.0016161900000000, -0.0001494600000000, 0.0007141000000000 ] - [ -0.0005692800000000, 0.0002874400000000, -0.0000096300000000 ] - [ -0.0004094700000000, -0.0004282000000000, -0.0001122900000000 ] - [ -0.0003486500000000, -0.0002819600000000, 0.0000424600000000 ] - [ -0.0001424900000000, 0.0007922400000000, -0.0001332000000000 ] - [ -0.0001864300000000, -0.0004235500000000, -0.0000511900000000 ] - [ 0.0000298600000000, 0.0000880800000000, -0.0001925500000000 ] - [ 0.0000044200000000, -0.0016892200000000, 0.0013162800000000 ] - [ -0.0005283900000000, -0.0004365300000000, -0.0004912100000000 ] - [ 0.0009647300000000, 0.0002297600000000, -0.0001490900000000 ] - [ -0.0003549200000000, 0.0004494400000000, -0.0003100900000000 ] - [ 0.0018110800000000, 0.0001121100000000, 0.0016012900000000 ] - [ -0.0007894500000000, -0.0007158900000000, -0.0002747200000000 ] - [ 0.0293228700000000, 0.0052694000000000, -0.0077629700000000 ] - [ -0.0007061100000000, 0.0006038100000000, -0.0000681100000000 ] - [ -0.0004873900000000, 0.0009969500000000, -0.0007487700000000 ] - [ -0.0006227200000000, -0.0009510700000000, 0.0000054400000000 ] - [ -0.0004814400000000, 0.0007327000000000, -0.0000293100000000 ] - [ -0.0004945000000000, 0.0005874700000000, -0.0004345300000000 ] - [ -0.0017505800000000, -0.0015100800000000, -0.0005978300000000 ] - [ -0.0008146300000000, -0.0004686800000000, 0.0009540700000000 ] - [ -0.0010218000000000, 0.0002114900000000, 0.0003048800000000 ] - [ -0.0019341400000000, 0.0008885900000000, -0.0031684000000000 ] - [ -0.0002251200000000, 0.0005310700000000, -0.0013162100000000 ] - [ 0.0006912500000000, 0.0002630600000000, 0.0000991300000000 ] - [ -0.0005441600000000, -0.0007347100000000, -0.0021189500000000 ] - [ 0.0011239200000000, 0.0003599400000000, 0.0002232300000000 ] - [ 0.0004061900000000, 0.0025192800000000, -0.0018051600000000 ] - [ 0.0005127500000000, -0.0001153800000000, 0.0005229700000000 ] - [ -0.0008865500000000, -0.0002934300000000, -0.0003997800000000 ] - [ 0.0006025600000000, -0.0003438100000000, -0.0001389800000000 ] - [ -0.0003045400000000, 0.0004208800000000, -0.0006064200000000 ] - [ 0.0011923100000000, -0.0003166200000000, 0.0003397700000000 ] - [ -0.0008986500000000, -0.0061912100000000, 0.0075023400000000 ] - [ 0.0007187900000000, -0.0001218900000000, -0.0000938400000000 ] - [ -0.0008864900000000, 0.0001763200000000, 0.0002322300000000 ] - [ 0.0002435200000000, -0.0000397800000000, 0.0004916400000000 ] - [ -0.0028598300000000, -0.0005972500000000, -0.0002869700000000 ] - [ 0.0004601800000000, 0.0002085700000000, 0.0006141200000000 ] - [ -0.0025735900000000, 0.0003896700000000, 0.0004391100000000 ] - [ 0.0011488000000000, 0.0002680100000000, 0.0002487600000000 ] - [ -0.0015347200000000, -0.0004645300000000, -0.0009275900000000 ] - [ 0.0012631100000000, -0.0001131700000000, 0.0006617800000000 ] - [ -0.0481979800000000, -0.0139272600000000, 0.0061217700000000 ] - [ 0.0006213400000000, 0.0001645700000000, -0.0000664700000000 ] - [ -0.0048642200000000, 0.0000864100000000, -0.0074403400000000 ] - [ 0.0005001800000000, -0.0001755900000000, 0.0006569500000000 ] - [ -0.0010482800000000, 0.0107747500000000, -0.0046242900000000 ] - [ 0.0013695200000000, 0.0000570400000000, 0.0005392700000000 ] - [ -0.0000180300000000, 0.0000130400000000, 0.0000305500000000 ] - [ 0.0004071200000000, 0.0000968100000000, 0.0004776700000000 ] - [ -0.0008281500000000, -0.0002033300000000, -0.0011727900000000 ] - [ 0.0005566800000000, -0.0001379600000000, 0.0001604500000000 ] - [ -0.0012614000000000, -0.0005447500000000, -0.0002420000000000 ] - [ 0.0001281700000000, 0.0001471900000000, -0.0002196400000000 ] - [ 0.0004822700000000, -0.0020412700000000, 0.0011953500000000 ] - [ 0.0005718000000000, 0.0003119100000000, -0.0004879400000000 ] - [ 0.0015585500000000, -0.0023293000000000, 0.0006274100000000 ] - [ 0.0008979400000000, 0.0003224500000000, 0.0001230200000000 ] - [ -0.0005313800000000, -0.0003786600000000, -0.0007608400000000 ] - [ 0.0001225600000000, 0.0001949500000000, 0.0001483200000000 ] - [ 0.0017960600000000, 0.0011006800000000, 0.0014648000000000 ] - [ 0.0001834700000000, -0.0001844100000000, -0.0003784500000000 ] - [ 0.0004415600000000, -0.0000644600000000, -0.0007733400000000 ] - [ 0.0005714800000000, -0.0002829600000000, -0.0002662900000000 ] - [ 0.0006196500000000, 0.0004936300000000, 0.0003388800000000 ] - [ 0.0002679200000000, -0.0002278600000000, -0.0007548700000000 ] - [ 0.0011040600000000, -0.0001310000000000, 0.0007194500000000 ] - [ 0.0005930300000000, 0.0004989300000000, 0.0000316200000000 ] - [ -0.0000602600000000, 0.0002962900000000, -0.0003444900000000 ] - [ 0.0006987800000000, -0.0007881100000000, 0.0009012500000000 ] - [ 0.0008332700000000, 0.0009158900000000, 0.0004957300000000 ] - [ 0.0012990900000000, -0.0007856400000000, -0.0004955300000000 ] - [ 0.0012492200000000, 0.0000090200000000, -0.0006393800000000 ] - [ 0.0041173500000000, -0.0003886300000000, 0.0021128200000000 ] - [ 0.0007886500000000, -0.0003471100000000, 0.0003851400000000 ] - [ 0.0000110100000000, 0.0004978600000000, 0.0007026600000000 ] - [ 0.0003014800000000, -0.0003040800000000, 0.0003624000000000 ] - [ -0.0003015700000000, 0.0001471000000000, 0.0018098700000000 ]- atom: 101 displacement: [ -0.0099997439015081, 0.0000000000000000, -0.0000715674804079 ] forces: - [ -0.0002654900000000, 0.0002978800000000, -0.0002503800000000 ] - [ 0.0003499000000000, 0.0003678400000000, 0.0001300400000000 ] - [ -0.0003965900000000, -0.0002278200000000, -0.0002671000000000 ] - [ 0.0003609600000000, 0.0001881500000000, 0.0000910900000000 ] - [ -0.0006260300000000, -0.0015057900000000, -0.0020076800000000 ] - [ 0.0007391600000000, -0.0000962800000000, 0.0001373800000000 ] - [ -0.0088547300000000, -0.0048234200000000, -0.0023722500000000 ] - [ 0.0004924700000000, -0.0003911600000000, 0.0000031200000000 ] - [ -0.0022872200000000, -0.0004808600000000, -0.0009701000000000 ] - [ 0.0006026800000000, 0.0000236300000000, 0.0003416300000000 ] - [ -0.0011731600000000, 0.0001390000000000, 0.0007708700000000 ] - [ 0.0003486300000000, -0.0001815000000000, 0.0001440900000000 ] - [ -0.0010335400000000, 0.0005850500000000, -0.0003621900000000 ] - [ 0.0006937300000000, 0.0000433700000000, -0.0000965200000000 ] - [ -0.0006855900000000, 0.0002035900000000, -0.0000364600000000 ] - [ 0.0005672500000000, 0.0001550300000000, 0.0003440700000000 ] - [ 0.0000687500000000, 0.0002957800000000, 0.0001521000000000 ] - [ 0.0009318300000000, 0.0002933000000000, 0.0004068700000000 ] - [ -0.0012637700000000, 0.0001715000000000, 0.0002588800000000 ] - [ 0.0005177400000000, -0.0000801700000000, 0.0003979200000000 ] - [ -0.0008117900000000, 0.0002257800000000, 0.0000159600000000 ] - [ 0.0004939500000000, -0.0000286900000000, 0.0003398600000000 ] - [ -0.0010550800000000, 0.0002219800000000, -0.0004728300000000 ] - [ 0.0000691300000000, 0.0003735100000000, -0.0002242800000000 ] - [ -0.0002815100000000, -0.0001822200000000, -0.0005470100000000 ] - [ 0.0006551500000000, -0.0000506700000000, -0.0000082800000000 ] - [ -0.0049573700000000, -0.0012356600000000, -0.0002927300000000 ] - [ 0.0008392800000000, 0.0003128900000000, 0.0004367100000000 ] - [ -0.0043177000000000, 0.0000918900000000, 0.0014616700000000 ] - [ 0.0010979400000000, -0.0002563400000000, 0.0003819900000000 ] - [ -0.0003498400000000, -0.0000114300000000, -0.0000942700000000 ] - [ 0.0001489000000000, 0.0001687400000000, -0.0000132300000000 ] - [ -0.0003104300000000, -0.0001846400000000, -0.0009742800000000 ] - [ 0.0005431800000000, 0.0000969100000000, 0.0005365200000000 ] - [ -0.0040922200000000, -0.0000972300000000, -0.0015099600000000 ] - [ -0.0000696900000000, 0.0002778300000000, -0.0001887100000000 ] - [ -0.0006832400000000, -0.0009816600000000, -0.0006253800000000 ] - [ 0.0001204900000000, -0.0003175800000000, -0.0002432500000000 ] - [ -0.0004706800000000, 0.0001686900000000, 0.0006779900000000 ] - [ 0.0000715700000000, 0.0000132500000000, 0.0004377300000000 ] - [ 0.0005865600000000, -0.0000443200000000, -0.0007011100000000 ] - [ 0.0009404000000000, -0.0003981900000000, 0.0006944300000000 ] - [ -0.0001775800000000, -0.0000130800000000, -0.0000362000000000 ] - [ 0.0000400300000000, -0.0001689800000000, -0.0002430800000000 ] - [ 0.0000435100000000, 0.0004758700000000, -0.0002416400000000 ] - [ 0.0002050800000000, -0.0001703500000000, -0.0002525700000000 ] - [ -0.0005990300000000, -0.0001046800000000, -0.0006835300000000 ] - [ -0.0001774500000000, -0.0003807800000000, -0.0000355700000000 ] - [ 0.0000353000000000, -0.0002636100000000, 0.0001842900000000 ] - [ -0.0002347300000000, -0.0000854900000000, -0.0001173300000000 ] - [ 0.0022513600000000, 0.0008753800000000, -0.0002758800000000 ] - [ 0.0007670100000000, -0.0003003900000000, 0.0002028600000000 ] - [ 0.0006359500000000, -0.0000052300000000, 0.0006164400000000 ] - [ 0.0000766500000000, 0.0002618800000000, -0.0002444200000000 ] - [ 0.0004888200000000, -0.0002113000000000, -0.0005466700000000 ] - [ 0.0008055900000000, 0.0007277100000000, 0.0004014800000000 ] - [ 0.0011442500000000, 0.0001167200000000, 0.0001616700000000 ] - [ 0.0015228600000000, 0.0008491300000000, -0.0006742100000000 ] - [ 0.0002389700000000, 0.0000016300000000, -0.0001374600000000 ] - [ 0.0000775200000000, 0.0007151600000000, -0.0000334800000000 ] - [ 0.0003591500000000, 0.0000081500000000, -0.0000053400000000 ] - [ 0.0001568700000000, -0.0010655700000000, 0.0001679000000000 ] - [ 0.0001005100000000, -0.0002789000000000, 0.0000873900000000 ] - [ -0.0001122300000000, -0.0007927800000000, 0.0002300200000000 ] - [ 0.0004529500000000, 0.0006718700000000, -0.0016041800000000 ] - [ 0.0009886500000000, -0.0005807000000000, 0.0001977200000000 ] - [ -0.0005029600000000, 0.0007811700000000, -0.0001469600000000 ] - [ 0.0008131200000000, 0.0005674800000000, 0.0000152500000000 ] - [ -0.0013991700000000, -0.0014212000000000, -0.0012710200000000 ] - [ 0.0011963300000000, -0.0005960700000000, 0.0006008500000000 ] - [ -0.0287847500000000, -0.0038063400000000, 0.0078609500000000 ] - [ 0.0011116000000000, 0.0007089100000000, 0.0003931500000000 ] - [ 0.0000829300000000, -0.0023170400000000, 0.0004237900000000 ] - [ 0.0002170600000000, -0.0003619200000000, -0.0003292700000000 ] - [ 0.0000741900000000, 0.0005775800000000, -0.0002960700000000 ] - [ 0.0000887000000000, 0.0007232000000000, 0.0001077200000000 ] - [ 0.0012953800000000, 0.0004989900000000, 0.0008919400000000 ] - [ 0.0003553000000000, -0.0005473600000000, -0.0006537500000000 ] - [ 0.0005606600000000, 0.0008095600000000, -0.0000134300000000 ] - [ 0.0015062600000000, 0.0001517000000000, 0.0034529600000000 ] - [ 0.0003252200000000, 0.0001387200000000, 0.0008168100000000 ] - [ -0.0005907400000000, 0.0004110300000000, -0.0005926600000000 ] - [ 0.0000014100000000, 0.0011530000000000, 0.0014682300000000 ] - [ -0.0016664800000000, 0.0000591500000000, -0.0008646800000000 ] - [ -0.0008355100000000, -0.0024674200000000, 0.0024487700000000 ] - [ -0.0009448700000000, 0.0001630700000000, 0.0001286100000000 ] - [ 0.0009850200000000, -0.0003745000000000, -0.0000929800000000 ] - [ -0.0005007900000000, -0.0003296400000000, -0.0003525800000000 ] - [ 0.0013173000000000, -0.0007552200000000, 0.0007403700000000 ] - [ -0.0001811600000000, -0.0000187800000000, -0.0002038800000000 ] - [ 0.0003111300000000, 0.0057632500000000, -0.0081465500000000 ] - [ -0.0012581700000000, -0.0002989700000000, -0.0005463600000000 ] - [ 0.0004533900000000, -0.0002183300000000, 0.0004188900000000 ] - [ -0.0006741200000000, -0.0000063100000000, 0.0001600200000000 ] - [ 0.0024046600000000, 0.0009493900000000, 0.0012128500000000 ] - [ -0.0009107700000000, 0.0001395900000000, 0.0003094100000000 ] - [ 0.0035817300000000, -0.0000512800000000, -0.0002981700000000 ] - [ -0.0001366800000000, 0.0000684600000000, -0.0001125000000000 ] - [ 0.0024541500000000, 0.0004768900000000, 0.0015080100000000 ] - [ -0.0003458000000000, 0.0001285800000000, -0.0000795100000000 ] - [ 0.0475836900000000, 0.0136764200000000, -0.0060783900000000 ] - [ -0.0008379500000000, 0.0001088800000000, -0.0003579100000000 ] - [ 0.0044775300000000, -0.0004376700000000, 0.0082968300000000 ] - [ -0.0009499500000000, -0.0001724300000000, 0.0002676400000000 ] - [ 0.0020336000000000, -0.0107816600000000, 0.0052008500000000 ] - [ -0.0004507800000000, -0.0000725100000000, 0.0000438500000000 ] - [ 0.0002369000000000, 0.0002629600000000, 0.0003929100000000 ] - [ -0.0001915800000000, 0.0001789400000000, -0.0000520200000000 ] - [ 0.0006118100000000, -0.0000670300000000, 0.0007421000000000 ] - [ -0.0007737700000000, -0.0001357400000000, -0.0005855000000000 ] - [ 0.0003444000000000, 0.0005654000000000, -0.0003398300000000 ] - [ -0.0010467000000000, -0.0001317200000000, -0.0003640100000000 ] - [ -0.0000345700000000, 0.0024022200000000, -0.0021287000000000 ] - [ -0.0001218200000000, 0.0000361300000000, -0.0004372700000000 ] - [ -0.0013459800000000, 0.0020660300000000, -0.0002003600000000 ] - [ -0.0006796400000000, -0.0005942700000000, 0.0003001500000000 ] - [ -0.0003860800000000, 0.0003638000000000, 0.0001785300000000 ] - [ -0.0010409000000000, -0.0002092800000000, -0.0007303600000000 ] - [ -0.0028137000000000, -0.0014493200000000, -0.0016083900000000 ] - [ -0.0011943300000000, -0.0001522100000000, 0.0002392900000000 ] - [ 0.0000108500000000, -0.0002797300000000, -0.0001501100000000 ] - [ -0.0001214900000000, -0.0000640300000000, -0.0006572300000000 ] - [ -0.0001881100000000, -0.0004484200000000, -0.0009922000000000 ] - [ 0.0001614600000000, 0.0002756400000000, 0.0000985000000000 ] - [ -0.0005650000000000, 0.0005534800000000, -0.0000793400000000 ] - [ -0.0000526800000000, -0.0000780300000000, 0.0006072800000000 ] - [ -0.0009444300000000, 0.0000381400000000, 0.0002104500000000 ] - [ -0.0017218200000000, 0.0011235000000000, -0.0010369200000000 ] - [ -0.0009339400000000, -0.0002462500000000, -0.0000004900000000 ] - [ -0.0013941900000000, 0.0014545900000000, 0.0009844900000000 ] - [ -0.0008200500000000, -0.0000583900000000, -0.0000089800000000 ] - [ -0.0036704700000000, 0.0003348200000000, -0.0027433800000000 ] - [ -0.0002464100000000, -0.0000717200000000, 0.0002559600000000 ] - [ 0.0005287000000000, -0.0009146600000000, -0.0000590700000000 ] - [ -0.0004011600000000, -0.0003710500000000, 0.0001296000000000 ] - [ 0.0001910000000000, -0.0008258000000000, -0.0013173100000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001900200000000, -0.0002422000000000, 0.0001179000000000 ] - [ 0.0000223100000000, 0.0001846300000000, -0.0000311200000000 ] - [ 0.0002265400000000, -0.0007943000000000, -0.0001337100000000 ] - [ -0.0000756000000000, -0.0000873100000000, -0.0000716400000000 ] - [ 0.0019556000000000, 0.0016116000000000, -0.0013276700000000 ] - [ 0.0000126000000000, -0.0000591900000000, 0.0000648400000000 ] - [ 0.0061865500000000, 0.0086044200000000, 0.0023703500000000 ] - [ 0.0001425000000000, -0.0002505000000000, -0.0000396300000000 ] - [ 0.0002051600000000, 0.0037936000000000, 0.0008288400000000 ] - [ 0.0001772500000000, 0.0000924400000000, 0.0002356400000000 ] - [ -0.0005326500000000, 0.0003892100000000, -0.0018276900000000 ] - [ 0.0000435900000000, -0.0000511700000000, 0.0000256000000000 ] - [ 0.0002218700000000, -0.0023251000000000, 0.0003451300000000 ] - [ 0.0002608800000000, 0.0000206300000000, -0.0001933900000000 ] - [ 0.0001218300000000, 0.0005298100000000, 0.0008192800000000 ] - [ 0.0001206200000000, 0.0002225200000000, 0.0000337300000000 ] - [ 0.0004610100000000, -0.0005322100000000, 0.0000400000000000 ] - [ 0.0005664800000000, 0.0001704800000000, 0.0002555200000000 ] - [ 0.0007692000000000, -0.0028485200000000, -0.0000668400000000 ] - [ 0.0001277400000000, -0.0001024200000000, 0.0003185800000000 ] - [ 0.0004325000000000, -0.0016025700000000, 0.0013898800000000 ] - [ 0.0001283100000000, -0.0000200400000000, 0.0002003400000000 ] - [ -0.0002925600000000, -0.0001194200000000, -0.0000220600000000 ] - [ -0.0003323900000000, 0.0003249200000000, -0.0003684200000000 ] - [ 0.0003177900000000, -0.0005427300000000, -0.0005422600000000 ] - [ 0.0002518100000000, -0.0000966300000000, -0.0001611100000000 ] - [ 0.0014626400000000, 0.0062921200000000, 0.0006973300000000 ] - [ 0.0003831700000000, 0.0003889700000000, 0.0003929600000000 ] - [ -0.0014619000000000, 0.0045062200000000, 0.0020225600000000 ] - [ 0.0004899100000000, -0.0001884300000000, 0.0002176200000000 ] - [ -0.0000300900000000, 0.0003299800000000, 0.0000152000000000 ] - [ -0.0002002100000000, 0.0001456300000000, -0.0003859000000000 ] - [ 0.0002413700000000, 0.0005510300000000, 0.0003117700000000 ] - [ 0.0001482300000000, 0.0001334900000000, 0.0003276800000000 ] - [ -0.0011619900000000, 0.0032833500000000, -0.0009245600000000 ] - [ -0.0006442200000000, 0.0004263500000000, -0.0002218100000000 ] - [ 0.0002854900000000, -0.0020498300000000, -0.0004958400000000 ] - [ -0.0003774700000000, -0.0004257100000000, -0.0003932500000000 ] - [ -0.0005281900000000, 0.0003946500000000, -0.0002512500000000 ] - [ -0.0001169200000000, 0.0001333400000000, 0.0003350300000000 ] - [ -0.0001429900000000, 0.0003750000000000, 0.0012104000000000 ] - [ 0.0004096700000000, -0.0002737600000000, 0.0003684600000000 ] - [ -0.0002471600000000, -0.0005965200000000, -0.0003223000000000 ] - [ -0.0000580900000000, -0.0003289700000000, -0.0001735600000000 ] - [ -0.0007387100000000, -0.0011822600000000, -0.0006737200000000 ] - [ -0.0000208500000000, -0.0002242800000000, -0.0002917300000000 ] - [ -0.0012310200000000, -0.0009329200000000, 0.0002344700000000 ] - [ -0.0004637700000000, -0.0004430500000000, -0.0001950400000000 ] - [ -0.0000568000000000, -0.0003063300000000, 0.0001240300000000 ] - [ -0.0003429800000000, -0.0003092200000000, -0.0001874200000000 ] - [ -0.0019318600000000, 0.0009216200000000, 0.0000629000000000 ] - [ 0.0000421900000000, 0.0001513900000000, 0.0002305600000000 ] - [ 0.0003378500000000, 0.0004605700000000, 0.0003255400000000 ] - [ -0.0002389300000000, 0.0005874300000000, 0.0001098400000000 ] - [ 0.0007051000000000, 0.0002330800000000, -0.0003960700000000 ] - [ -0.0010372700000000, -0.0000029700000000, -0.0006804800000000 ] - [ 0.0005592800000000, 0.0008846900000000, 0.0000007900000000 ] - [ -0.0009918700000000, 0.0011446600000000, 0.0002844000000000 ] - [ 0.0000950500000000, -0.0001695000000000, -0.0002049100000000 ] - [ -0.0007136300000000, -0.0006660000000000, -0.0001909600000000 ] - [ -0.0003371100000000, -0.0003739800000000, 0.0000032600000000 ] - [ 0.0006078600000000, -0.0009724700000000, 0.0001195300000000 ] - [ -0.0001817000000000, -0.0005308700000000, 0.0000058400000000 ] - [ 0.0003229900000000, -0.0009606000000000, 0.0003377500000000 ] - [ -0.0005006200000000, -0.0020572900000000, 0.0013440900000000 ] - [ 0.0006191800000000, -0.0004892200000000, 0.0000206000000000 ] - [ -0.0010449800000000, -0.0024375400000000, -0.0006043600000000 ] - [ 0.0003599100000000, 0.0003515200000000, -0.0000913100000000 ] - [ 0.0007266600000000, 0.0011277400000000, -0.0012977700000000 ] - [ 0.0001065900000000, -0.0006633100000000, 0.0001407300000000 ] - [ 0.0045403100000000, 0.0523481400000000, -0.0344443000000000 ] - [ 0.0001489300000000, 0.0007972300000000, 0.0001367300000000 ] - [ 0.0000345900000000, -0.0024879200000000, 0.0006023200000000 ] - [ -0.0007022100000000, -0.0007491300000000, -0.0001311400000000 ] - [ 0.0000813800000000, -0.0003677300000000, 0.0001576600000000 ] - [ -0.0008669300000000, 0.0001777000000000, -0.0003968100000000 ] - [ -0.0005407900000000, -0.0002966500000000, -0.0002185700000000 ] - [ 0.0003464200000000, -0.0000959700000000, -0.0001901900000000 ] - [ -0.0005918200000000, 0.0010583500000000, 0.0000712500000000 ] - [ 0.0040521700000000, 0.0039062200000000, 0.0005600000000000 ] - [ 0.0003773300000000, 0.0004212400000000, -0.0007717400000000 ] - [ -0.0001139200000000, 0.0002501200000000, -0.0003760600000000 ] - [ -0.0006428900000000, -0.0009766000000000, 0.0001082400000000 ] - [ -0.0000531000000000, 0.0000376900000000, -0.0002146900000000 ] - [ 0.0019434400000000, 0.0019641500000000, -0.0022224000000000 ] - [ -0.0004884000000000, -0.0000281200000000, 0.0002768500000000 ] - [ -0.0000496700000000, 0.0020332200000000, -0.0006658200000000 ] - [ 0.0000460100000000, -0.0000875700000000, -0.0002638700000000 ] - [ 0.0004365400000000, 0.0011838300000000, -0.0003677600000000 ] - [ 0.0003806900000000, 0.0000200600000000, 0.0000325900000000 ] - [ -0.0066974800000000, 0.0010156200000000, -0.0090430700000000 ] - [ -0.0001038000000000, -0.0003269700000000, -0.0002720200000000 ] - [ -0.0003965300000000, 0.0020946700000000, 0.0007553200000000 ] - [ -0.0002423400000000, 0.0001858900000000, 0.0003208300000000 ] - [ -0.0015539500000000, 0.0015464200000000, 0.0029222600000000 ] - [ -0.0001703700000000, 0.0002418400000000, 0.0004726200000000 ] - [ 0.0014499900000000, 0.0042483800000000, 0.0021983500000000 ] - [ 0.0005051400000000, 0.0001916000000000, 0.0000699800000000 ] - [ 0.0001469000000000, -0.0021686200000000, 0.0003177400000000 ] - [ 0.0004239800000000, -0.0001113300000000, 0.0002445700000000 ] - [ -0.0141120300000000, -0.0869509600000000, 0.0469820100000000 ] - [ -0.0000809000000000, -0.0000266600000000, -0.0001805300000000 ] - [ -0.0004735500000000, -0.0074752100000000, 0.0015997200000000 ] - [ -0.0002240400000000, -0.0003486600000000, 0.0004756400000000 ] - [ 0.0111019200000000, 0.0138288900000000, -0.0092756500000000 ] - [ 0.0003769000000000, -0.0000328200000000, 0.0002874300000000 ] - [ 0.0002331100000000, 0.0009993300000000, 0.0001768900000000 ] - [ 0.0001484800000000, 0.0005806900000000, 0.0003451600000000 ] - [ -0.0000372800000000, -0.0003145200000000, -0.0004951800000000 ] - [ -0.0001073900000000, -0.0000734800000000, -0.0002246200000000 ] - [ -0.0004513200000000, 0.0017778100000000, -0.0003269200000000 ] - [ -0.0003222200000000, 0.0002881600000000, -0.0002660900000000 ] - [ -0.0004105300000000, 0.0014493600000000, -0.0016833300000000 ] - [ 0.0004360000000000, 0.0000529700000000, -0.0005340300000000 ] - [ -0.0020859700000000, 0.0015746400000000, -0.0008042500000000 ] - [ 0.0005675700000000, -0.0000914900000000, 0.0001976800000000 ] - [ -0.0012103500000000, 0.0006991400000000, -0.0000313800000000 ] - [ -0.0002643700000000, 0.0000784500000000, -0.0001207800000000 ] - [ 0.0000980400000000, -0.0023197100000000, 0.0003397300000000 ] - [ -0.0006825300000000, -0.0007636100000000, -0.0001509800000000 ] - [ 0.0003654300000000, 0.0010935000000000, -0.0006076200000000 ] - [ 0.0003781100000000, 0.0003742700000000, -0.0005175200000000 ] - [ 0.0004747700000000, 0.0001248500000000, -0.0001056000000000 ] - [ -0.0000232000000000, 0.0001259700000000, -0.0004211300000000 ] - [ -0.0003200400000000, 0.0008070000000000, -0.0000109100000000 ] - [ 0.0010271300000000, 0.0008891800000000, 0.0001624100000000 ] - [ 0.0002660900000000, -0.0001270600000000, -0.0002221800000000 ] - [ -0.0020110800000000, 0.0000129800000000, -0.0003029600000000 ] - [ 0.0005753600000000, 0.0003818800000000, 0.0007197500000000 ] - [ -0.0012280400000000, 0.0009552600000000, 0.0006207900000000 ] - [ 0.0003787200000000, -0.0008008800000000, -0.0003014000000000 ] - [ 0.0003338900000000, -0.0034324800000000, 0.0004149100000000 ] - [ 0.0001032300000000, 0.0001038400000000, 0.0002491800000000 ] - [ 0.0011328400000000, 0.0008067300000000, 0.0009731900000000 ] - [ -0.0000198500000000, -0.0008466300000000, 0.0001138300000000 ] - [ -0.0004432600000000, -0.0019342700000000, -0.0002654000000000 ]- atom: 101 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001058700000000, 0.0009426000000000, -0.0001540200000000 ] - [ 0.0000626300000000, 0.0005176100000000, -0.0000046900000000 ] - [ -0.0002401800000000, 0.0010658700000000, 0.0000959300000000 ] - [ 0.0000637700000000, 0.0003606900000000, 0.0000337600000000 ] - [ -0.0015498500000000, -0.0019555000000000, 0.0014562000000000 ] - [ 0.0003179000000000, -0.0002306200000000, 0.0000808500000000 ] - [ -0.0057892600000000, -0.0090402000000000, -0.0022935300000000 ] - [ -0.0000575800000000, -0.0004511000000000, 0.0000036400000000 ] - [ 0.0000939300000000, -0.0038541900000000, -0.0004477600000000 ] - [ 0.0000948600000000, -0.0001717900000000, 0.0001766100000000 ] - [ 0.0005245900000000, -0.0006499300000000, 0.0017826700000000 ] - [ -0.0000557100000000, -0.0002215400000000, -0.0000637700000000 ] - [ 0.0002786000000000, 0.0024310500000000, -0.0006952500000000 ] - [ 0.0002422400000000, 0.0001002100000000, -0.0001613600000000 ] - [ 0.0002117100000000, -0.0002440800000000, -0.0006657800000000 ] - [ 0.0002099500000000, 0.0000677300000000, 0.0001120200000000 ] - [ 0.0006640000000000, 0.0010817900000000, 0.0004468200000000 ] - [ 0.0005595000000000, 0.0003801900000000, 0.0002309600000000 ] - [ -0.0005128900000000, 0.0028075800000000, 0.0007002900000000 ] - [ 0.0001297600000000, 0.0000534000000000, 0.0003139300000000 ] - [ -0.0001609400000000, 0.0016764300000000, -0.0009772100000000 ] - [ 0.0001438600000000, 0.0001001100000000, 0.0002118400000000 ] - [ -0.0003419700000000, 0.0008085800000000, -0.0007112000000000 ] - [ -0.0003022100000000, 0.0003643100000000, -0.0003669900000000 ] - [ 0.0001850100000000, 0.0004236800000000, 0.0001841900000000 ] - [ 0.0002511000000000, -0.0000234900000000, -0.0001937600000000 ] - [ -0.0009454700000000, -0.0057595200000000, -0.0001285000000000 ] - [ 0.0002523100000000, 0.0002999800000000, 0.0003425300000000 ] - [ 0.0024129800000000, -0.0048460400000000, -0.0013985000000000 ] - [ 0.0006356100000000, -0.0003614200000000, 0.0002685200000000 ] - [ -0.0002287000000000, -0.0003765700000000, -0.0006477600000000 ] - [ -0.0000564200000000, -0.0001925600000000, -0.0002466700000000 ] - [ 0.0000149800000000, -0.0004940300000000, 0.0003239300000000 ] - [ 0.0001091700000000, -0.0000837300000000, 0.0003048100000000 ] - [ -0.0000219200000000, -0.0027048800000000, 0.0003840800000000 ] - [ -0.0004814600000000, 0.0001254400000000, -0.0002643700000000 ] - [ -0.0009167400000000, 0.0013562600000000, -0.0002402700000000 ] - [ -0.0002579100000000, -0.0002628000000000, -0.0003422600000000 ] - [ 0.0000235300000000, -0.0002752800000000, 0.0006074500000000 ] - [ -0.0003849200000000, -0.0000129500000000, 0.0000206400000000 ] - [ 0.0007695400000000, -0.0010694400000000, -0.0004742600000000 ] - [ 0.0002261900000000, -0.0004146600000000, 0.0003671100000000 ] - [ -0.0000243900000000, 0.0005162300000000, -0.0000890700000000 ] - [ -0.0002139100000000, 0.0002482500000000, -0.0002384600000000 ] - [ 0.0004829500000000, 0.0012301800000000, 0.0000427100000000 ] - [ -0.0002363200000000, 0.0002723700000000, -0.0003407000000000 ] - [ 0.0001056700000000, 0.0003805900000000, -0.0007231300000000 ] - [ -0.0006616200000000, -0.0001082800000000, -0.0002914500000000 ] - [ -0.0002736400000000, 0.0000168800000000, -0.0002699600000000 ] - [ 0.0000120900000000, 0.0000202200000000, 0.0000403700000000 ] - [ 0.0014207800000000, -0.0010482500000000, 0.0002914200000000 ] - [ -0.0005445000000000, -0.0002716300000000, 0.0001234100000000 ] - [ -0.0003260700000000, -0.0001860400000000, -0.0002873500000000 ] - [ 0.0002522900000000, -0.0003116300000000, -0.0000696800000000 ] - [ -0.0009740700000000, -0.0001499000000000, -0.0000170100000000 ] - [ 0.0007595300000000, 0.0000844500000000, 0.0002652200000000 ] - [ -0.0006449200000000, -0.0001800400000000, 0.0000346700000000 ] - [ 0.0009054700000000, -0.0004367600000000, -0.0002463200000000 ] - [ -0.0004245400000000, 0.0004599400000000, 0.0000591100000000 ] - [ 0.0003791000000000, 0.0009524200000000, 0.0000455300000000 ] - [ 0.0003501500000000, 0.0000998200000000, 0.0000347500000000 ] - [ -0.0005953700000000, 0.0006959300000000, -0.0000827500000000 ] - [ 0.0000973300000000, -0.0001718400000000, 0.0000299600000000 ] - [ -0.0004072900000000, 0.0002554400000000, -0.0003015300000000 ] - [ 0.0009555600000000, 0.0010405400000000, -0.0016303600000000 ] - [ -0.0001590700000000, -0.0005268600000000, -0.0003141900000000 ] - [ 0.0014984700000000, 0.0034456200000000, 0.0003063400000000 ] - [ 0.0000998600000000, 0.0006655400000000, -0.0002034600000000 ] - [ -0.0003204400000000, -0.0024499400000000, 0.0016258100000000 ] - [ 0.0002994900000000, -0.0006492100000000, 0.0001849600000000 ] - [ -0.0043793100000000, -0.0519020300000000, 0.0368514300000000 ] - [ 0.0002571800000000, 0.0005156400000000, 0.0001883900000000 ] - [ -0.0004379900000000, 0.0011771800000000, -0.0009221300000000 ] - [ 0.0002945500000000, -0.0005627000000000, -0.0001936600000000 ] - [ -0.0004856000000000, 0.0016806300000000, -0.0004845700000000 ] - [ 0.0004573500000000, 0.0011326700000000, 0.0000689800000000 ] - [ 0.0000816700000000, -0.0007226100000000, 0.0005129400000000 ] - [ -0.0008025900000000, -0.0009212900000000, 0.0004870900000000 ] - [ 0.0001320500000000, -0.0000409700000000, 0.0002225300000000 ] - [ -0.0044921800000000, -0.0028843400000000, -0.0002583800000000 ] - [ -0.0002774800000000, 0.0002451900000000, 0.0002725000000000 ] - [ 0.0002148000000000, 0.0004228700000000, -0.0001173700000000 ] - [ 0.0000994500000000, 0.0013996400000000, -0.0007512200000000 ] - [ -0.0004874100000000, 0.0003821200000000, -0.0004262900000000 ] - [ -0.0023648600000000, -0.0019181300000000, 0.0028588100000000 ] - [ 0.0000564800000000, 0.0000745700000000, 0.0003746700000000 ] - [ 0.0001540900000000, -0.0026992900000000, 0.0001732200000000 ] - [ 0.0000543200000000, -0.0005854500000000, -0.0002285200000000 ] - [ 0.0005779600000000, -0.0015188600000000, 0.0005012300000000 ] - [ 0.0006309600000000, -0.0003560300000000, 0.0001035000000000 ] - [ 0.0061631200000000, -0.0013998300000000, 0.0084251200000000 ] - [ -0.0004368500000000, -0.0000915200000000, -0.0003688600000000 ] - [ -0.0000334800000000, -0.0021360700000000, -0.0000997200000000 ] - [ -0.0001895200000000, -0.0002317200000000, 0.0003312000000000 ] - [ 0.0011069300000000, -0.0011926500000000, -0.0020060900000000 ] - [ -0.0002803500000000, 0.0001074900000000, 0.0004505200000000 ] - [ -0.0004352700000000, -0.0038985800000000, -0.0020480700000000 ] - [ 0.0005066200000000, 0.0001446400000000, 0.0000662100000000 ] - [ 0.0007735700000000, 0.0021891300000000, 0.0002685500000000 ] - [ 0.0004938700000000, 0.0001266400000000, 0.0003380900000000 ] - [ 0.0141815900000000, 0.0878134100000000, -0.0494705100000000 ] - [ -0.0001359700000000, 0.0002998700000000, -0.0002434800000000 ] - [ 0.0000618000000000, 0.0071190600000000, -0.0008040700000000 ] - [ -0.0002267500000000, 0.0000003800000000, 0.0004482900000000 ] - [ -0.0103119600000000, -0.0139396500000000, 0.0099597400000000 ] - [ 0.0005410500000000, 0.0000184400000000, 0.0002956500000000 ] - [ -0.0000174800000000, -0.0007253000000000, 0.0002479100000000 ] - [ 0.0000682100000000, -0.0003044800000000, 0.0000810100000000 ] - [ -0.0001777400000000, 0.0000496200000000, 0.0000705600000000 ] - [ -0.0001097100000000, -0.0001989000000000, -0.0001998200000000 ] - [ -0.0004712800000000, -0.0017622700000000, -0.0002601100000000 ] - [ -0.0005966800000000, -0.0002726200000000, -0.0003176300000000 ] - [ 0.0008609500000000, -0.0011086700000000, 0.0007593700000000 ] - [ 0.0000144600000000, 0.0002943300000000, -0.0003905100000000 ] - [ 0.0022950600000000, -0.0018500400000000, 0.0012217900000000 ] - [ -0.0003492800000000, -0.0001822000000000, 0.0002253300000000 ] - [ 0.0002887400000000, -0.0007146400000000, -0.0005485700000000 ] - [ -0.0006534800000000, -0.0000933700000000, -0.0004616000000000 ] - [ -0.0011088000000000, 0.0019858000000000, -0.0004721900000000 ] - [ -0.0003309000000000, 0.0004264900000000, 0.0000132600000000 ] - [ 0.0000814200000000, -0.0014421100000000, -0.0003144000000000 ] - [ 0.0000734800000000, -0.0007201100000000, -0.0004061100000000 ] - [ -0.0000443400000000, -0.0000757600000000, -0.0005465200000000 ] - [ 0.0004523500000000, -0.0000756900000000, -0.0002325100000000 ] - [ 0.0008590900000000, -0.0003876700000000, 0.0006497400000000 ] - [ -0.0004842100000000, -0.0004686600000000, 0.0004767200000000 ] - [ -0.0012763900000000, 0.0004663800000000, 0.0000871200000000 ] - [ 0.0009925900000000, 0.0003265800000000, 0.0001650200000000 ] - [ -0.0006776000000000, 0.0002936800000000, -0.0002267900000000 ] - [ 0.0011262700000000, -0.0002808600000000, -0.0001285400000000 ] - [ 0.0000531300000000, 0.0007527500000000, -0.0003497400000000 ] - [ 0.0000855400000000, 0.0033719800000000, -0.0010681500000000 ] - [ 0.0004358800000000, -0.0005227100000000, 0.0003916100000000 ] - [ -0.0005874200000000, -0.0012222700000000, -0.0003276400000000 ] - [ -0.0000807300000000, 0.0001733000000000, 0.0003791200000000 ] - [ 0.0003367100000000, 0.0012583600000000, 0.0007568700000000 ]- atom: 101 displacement: [ -0.0030577532044204, 0.0000000000000000, 0.0095210369887348 ] forces: - [ 0.0001983300000000, 0.0003880200000000, -0.0005448400000000 ] - [ -0.0000025800000000, 0.0003307300000000, -0.0000492500000000 ] - [ 0.0000442400000000, -0.0001224600000000, 0.0000980100000000 ] - [ -0.0000031300000000, 0.0001476800000000, 0.0000505200000000 ] - [ 0.0002814500000000, -0.0006329300000000, 0.0026436900000000 ] - [ 0.0001872300000000, -0.0001372100000000, 0.0002301200000000 ] - [ -0.0007056600000000, -0.0001717900000000, 0.0030027300000000 ] - [ 0.0000959900000000, -0.0003783700000000, 0.0000310500000000 ] - [ 0.0008254700000000, -0.0000434800000000, 0.0010600500000000 ] - [ 0.0000837400000000, -0.0000406300000000, 0.0002300300000000 ] - [ -0.0012986300000000, -0.0016669700000000, -0.0010347300000000 ] - [ -0.0000026100000000, -0.0001277300000000, -0.0001291500000000 ] - [ -0.0000076300000000, 0.0010266700000000, 0.0004610300000000 ] - [ 0.0002757500000000, 0.0000625100000000, -0.0001534500000000 ] - [ -0.0000863000000000, 0.0009028900000000, -0.0021939700000000 ] - [ 0.0000961100000000, 0.0001376300000000, -0.0000984300000000 ] - [ 0.0005384200000000, 0.0000292200000000, -0.0000820300000000 ] - [ 0.0005278200000000, 0.0002843600000000, 0.0001862000000000 ] - [ -0.0002340500000000, -0.0003222200000000, 0.0016220500000000 ] - [ 0.0001652200000000, -0.0000203500000000, 0.0003436300000000 ] - [ 0.0000058600000000, 0.0014620800000000, -0.0004773500000000 ] - [ 0.0001261800000000, 0.0000498100000000, 0.0001782400000000 ] - [ -0.0002775100000000, 0.0006523000000000, -0.0008717100000000 ] - [ -0.0003501100000000, 0.0003299900000000, -0.0004406600000000 ] - [ 0.0003232000000000, -0.0003405400000000, -0.0006809500000000 ] - [ 0.0002065600000000, -0.0000531000000000, -0.0002113500000000 ] - [ 0.0003487600000000, 0.0023104800000000, 0.0049997500000000 ] - [ 0.0003877700000000, 0.0003406600000000, 0.0003475900000000 ] - [ -0.0009040600000000, -0.0013594200000000, 0.0058601900000000 ] - [ 0.0005956700000000, -0.0002915100000000, 0.0002906400000000 ] - [ 0.0000549800000000, 0.0000936600000000, -0.0011911700000000 ] - [ -0.0002644000000000, -0.0001322900000000, -0.0004462500000000 ] - [ 0.0006119100000000, -0.0005491400000000, -0.0025078100000000 ] - [ 0.0000397100000000, 0.0000021000000000, 0.0002720500000000 ] - [ -0.0003275100000000, 0.0004378000000000, 0.0030712700000000 ] - [ -0.0004618300000000, 0.0002783900000000, -0.0002886900000000 ] - [ -0.0000683000000000, -0.0008279800000000, -0.0000194600000000 ] - [ -0.0003011900000000, -0.0003316600000000, -0.0002922000000000 ] - [ -0.0005126900000000, -0.0000938600000000, -0.0007994200000000 ] - [ -0.0003932600000000, 0.0000984300000000, -0.0001760200000000 ] - [ 0.0020086000000000, 0.0003685800000000, -0.0012321900000000 ] - [ 0.0001652300000000, -0.0003670200000000, 0.0003793500000000 ] - [ -0.0002552300000000, -0.0001517900000000, -0.0001989900000000 ] - [ -0.0000772800000000, -0.0000223300000000, -0.0003953900000000 ] - [ 0.0001046000000000, 0.0002148300000000, 0.0002989800000000 ] - [ -0.0001037300000000, 0.0000035400000000, -0.0001920200000000 ] - [ -0.0001292600000000, 0.0000880200000000, -0.0007340300000000 ] - [ -0.0006820700000000, -0.0001927500000000, -0.0002537500000000 ] - [ -0.0001817500000000, -0.0000360400000000, -0.0003005900000000 ] - [ -0.0002018900000000, -0.0002143900000000, -0.0004116800000000 ] - [ 0.0009956400000000, 0.0001518000000000, 0.0013519600000000 ] - [ -0.0000594400000000, -0.0001083800000000, 0.0004995500000000 ] - [ -0.0004468800000000, 0.0002339100000000, -0.0003544900000000 ] - [ 0.0002532700000000, 0.0001030100000000, -0.0007507800000000 ] - [ 0.0005979700000000, -0.0001869600000000, -0.0001518400000000 ] - [ -0.0001434300000000, 0.0000501700000000, 0.0001190400000000 ] - [ -0.0004083500000000, 0.0003744900000000, 0.0004741500000000 ] - [ 0.0011950400000000, 0.0005893300000000, 0.0002852800000000 ] - [ -0.0000982600000000, 0.0001788800000000, 0.0000904700000000 ] - [ -0.0001395900000000, 0.0003588100000000, 0.0003488100000000 ] - [ 0.0002188100000000, -0.0000548100000000, 0.0000857600000000 ] - [ -0.0003116500000000, 0.0000040800000000, 0.0006150100000000 ] - [ 0.0000423900000000, -0.0003802800000000, -0.0001564300000000 ] - [ -0.0003609400000000, 0.0000678700000000, -0.0003362700000000 ] - [ 0.0009686800000000, 0.0003248100000000, -0.0019250700000000 ] - [ 0.0000646700000000, -0.0004876100000000, -0.0001094800000000 ] - [ -0.0004616400000000, 0.0001788200000000, 0.0000137000000000 ] - [ 0.0004009900000000, 0.0004673900000000, -0.0001558100000000 ] - [ 0.0014603000000000, -0.0027562500000000, -0.0026271700000000 ] - [ -0.0000419000000000, -0.0006888100000000, 0.0000453800000000 ] - [ -0.0161599300000000, -0.0360986600000000, 0.0825842600000000 ] - [ 0.0003074400000000, 0.0006251600000000, 0.0002147000000000 ] - [ -0.0007819400000000, 0.0000880900000000, 0.0008973900000000 ] - [ 0.0001653300000000, -0.0006914600000000, -0.0002812600000000 ] - [ 0.0002404600000000, 0.0004246400000000, -0.0004122100000000 ] - [ -0.0004382800000000, 0.0006285700000000, -0.0001441000000000 ] - [ -0.0011540100000000, -0.0014072600000000, 0.0002496900000000 ] - [ 0.0012789400000000, -0.0010159600000000, -0.0002771700000000 ] - [ 0.0002264900000000, 0.0002519100000000, -0.0001944800000000 ] - [ -0.0046018400000000, -0.0014495500000000, 0.0004241000000000 ] - [ -0.0002869800000000, 0.0004835200000000, 0.0016020600000000 ] - [ 0.0002565300000000, 0.0002533900000000, -0.0001770700000000 ] - [ -0.0022266000000000, 0.0017115000000000, 0.0013332700000000 ] - [ 0.0002445800000000, 0.0003438700000000, -0.0002241600000000 ] - [ -0.0021531300000000, -0.0028420300000000, 0.0001418000000000 ] - [ -0.0001363900000000, 0.0000037500000000, 0.0002287000000000 ] - [ 0.0004763100000000, -0.0004923400000000, -0.0009551900000000 ] - [ -0.0000533800000000, -0.0003614200000000, -0.0003026100000000 ] - [ 0.0004287100000000, -0.0004651600000000, 0.0006974600000000 ] - [ 0.0005982500000000, -0.0002059800000000, 0.0000785600000000 ] - [ 0.0067735800000000, -0.0054805100000000, 0.0029513800000000 ] - [ -0.0005212800000000, -0.0001964600000000, -0.0003075200000000 ] - [ 0.0000910300000000, -0.0004223800000000, 0.0007014000000000 ] - [ -0.0002556000000000, -0.0000275100000000, 0.0004290300000000 ] - [ -0.0009537200000000, 0.0027953100000000, 0.0016129000000000 ] - [ -0.0001811900000000, 0.0002044600000000, 0.0004680500000000 ] - [ 0.0018924800000000, 0.0015186100000000, -0.0004841000000000 ] - [ 0.0004273300000000, 0.0001529600000000, 0.0000651700000000 ] - [ -0.0000855400000000, 0.0015132100000000, 0.0052476400000000 ] - [ 0.0006308500000000, -0.0000189900000000, 0.0004291500000000 ] - [ 0.0214810200000000, 0.0520349000000000, -0.1254343700000000 ] - [ -0.0001919600000000, 0.0001586100000000, -0.0002880100000000 ] - [ -0.0066681700000000, -0.0006292400000000, 0.0228239800000000 ] - [ -0.0001883800000000, -0.0001198700000000, 0.0004588000000000 ] - [ -0.0034179200000000, -0.0118240000000000, -0.0008148900000000 ] - [ 0.0004232700000000, -0.0000206500000000, 0.0002036300000000 ] - [ -0.0000299700000000, 0.0002097500000000, 0.0007798200000000 ] - [ 0.0002681700000000, 0.0000239600000000, 0.0003316900000000 ] - [ -0.0008159400000000, 0.0001481100000000, 0.0022220400000000 ] - [ 0.0000424300000000, -0.0001247000000000, -0.0000906300000000 ] - [ -0.0002921100000000, -0.0003820500000000, -0.0008841100000000 ] - [ -0.0006012700000000, -0.0000376600000000, -0.0002649000000000 ] - [ 0.0010442700000000, -0.0015633300000000, 0.0003337000000000 ] - [ 0.0000986100000000, 0.0002673400000000, -0.0001759100000000 ] - [ 0.0000755900000000, -0.0004341600000000, -0.0019742500000000 ] - [ -0.0002161200000000, -0.0002904700000000, 0.0001043200000000 ] - [ -0.0011680100000000, 0.0004853200000000, 0.0002447100000000 ] - [ -0.0003101200000000, -0.0000202300000000, -0.0003383000000000 ] - [ 0.0017206800000000, 0.0005949700000000, -0.0000777500000000 ] - [ -0.0011086600000000, -0.0001680800000000, 0.0001568300000000 ] - [ -0.0002081800000000, -0.0003680500000000, -0.0003666400000000 ] - [ 0.0003638300000000, -0.0002378000000000, -0.0006719500000000 ] - [ 0.0005983400000000, 0.0003967900000000, -0.0000635700000000 ] - [ -0.0001176700000000, 0.0000723600000000, 0.0007477900000000 ] - [ 0.0005552200000000, 0.0000625000000000, 0.0001047700000000 ] - [ -0.0003339400000000, -0.0000584500000000, 0.0006259300000000 ] - [ -0.0014005100000000, 0.0001436500000000, 0.0002007900000000 ] - [ 0.0010329400000000, 0.0000373800000000, -0.0000561700000000 ] - [ -0.0000015000000000, 0.0006704800000000, -0.0004965700000000 ] - [ -0.0011271100000000, 0.0010019500000000, 0.0003006200000000 ] - [ -0.0003597400000000, 0.0000930100000000, -0.0004313500000000 ] - [ 0.0005921400000000, 0.0006338300000000, -0.0026732300000000 ] - [ -0.0000649400000000, -0.0001684000000000, 0.0003716100000000 ] - [ 0.0007969600000000, -0.0001760200000000, 0.0001995300000000 ] - [ -0.0001338100000000, -0.0002215800000000, 0.0008183300000000 ] - [ 0.0014222700000000, 0.0001538900000000, 0.0008654400000000 ]- atom: 101 displacement: [ 0.0030577532044204, 0.0000000000000000, -0.0095210369887348 ] forces: - [ -0.0001146200000000, 0.0003148000000000, 0.0005104600000000 ] - [ 0.0000875700000000, 0.0003715300000000, 0.0000129400000000 ] - [ -0.0000562600000000, 0.0003956800000000, -0.0001382900000000 ] - [ -0.0000094400000000, 0.0001255200000000, -0.0000885500000000 ] - [ 0.0000970700000000, 0.0003079700000000, -0.0025237800000000 ] - [ 0.0001427300000000, -0.0001526600000000, -0.0000842400000000 ] - [ 0.0007490400000000, -0.0005668200000000, -0.0030656900000000 ] - [ -0.0000111900000000, -0.0003240000000000, -0.0000669400000000 ] - [ -0.0004166000000000, 0.0000331100000000, -0.0008877400000000 ] - [ 0.0001880100000000, -0.0000393300000000, 0.0001820000000000 ] - [ 0.0012781900000000, 0.0013865400000000, 0.0010011000000000 ] - [ -0.0000087800000000, -0.0001459600000000, 0.0000910800000000 ] - [ 0.0005116100000000, -0.0009060400000000, -0.0008224000000000 ] - [ 0.0002271200000000, 0.0000580100000000, -0.0002015100000000 ] - [ 0.0004104900000000, -0.0006093300000000, 0.0023435300000000 ] - [ 0.0002353300000000, 0.0001524600000000, 0.0002436700000000 ] - [ 0.0005882200000000, 0.0005222500000000, 0.0005679000000000 ] - [ 0.0005979700000000, 0.0002663200000000, 0.0003002800000000 ] - [ 0.0004939200000000, 0.0002659500000000, -0.0009959400000000 ] - [ 0.0000921600000000, -0.0000286500000000, 0.0002885700000000 ] - [ 0.0002652100000000, -0.0013851700000000, 0.0008954700000000 ] - [ 0.0001462500000000, 0.0000303900000000, 0.0002337600000000 ] - [ -0.0003542400000000, 0.0000332100000000, 0.0001364900000000 ] - [ -0.0002848500000000, 0.0003587600000000, -0.0002943900000000 ] - [ 0.0001786300000000, 0.0002168800000000, 0.0003293000000000 ] - [ 0.0002968200000000, -0.0000673600000000, -0.0001436100000000 ] - [ 0.0002372300000000, -0.0017030000000000, -0.0043293400000000 ] - [ 0.0002468900000000, 0.0003481300000000, 0.0003872300000000 ] - [ 0.0019455300000000, 0.0009259800000000, -0.0052986600000000 ] - [ 0.0005307500000000, -0.0002588700000000, 0.0001950100000000 ] - [ -0.0003063400000000, -0.0001444100000000, 0.0005596700000000 ] - [ 0.0000063500000000, 0.0000838600000000, -0.0001849000000000 ] - [ -0.0003570800000000, 0.0005924600000000, 0.0031494800000000 ] - [ 0.0002179900000000, 0.0000469900000000, 0.0003604200000000 ] - [ -0.0008649400000000, 0.0001512700000000, -0.0035990000000000 ] - [ -0.0006645400000000, 0.0002724300000000, -0.0001985200000000 ] - [ -0.0005674500000000, 0.0001388700000000, -0.0007154900000000 ] - [ -0.0003334200000000, -0.0003569400000000, -0.0004439700000000 ] - [ 0.0000150400000000, 0.0002163600000000, 0.0011535000000000 ] - [ -0.0001108300000000, 0.0000220700000000, 0.0005321100000000 ] - [ -0.0013701300000000, -0.0010518300000000, 0.0019746600000000 ] - [ 0.0004707600000000, -0.0003218800000000, 0.0003565100000000 ] - [ -0.0000156300000000, 0.0000718900000000, -0.0002139600000000 ] - [ -0.0001952900000000, -0.0000580500000000, -0.0000167300000000 ] - [ -0.0003630700000000, -0.0001685500000000, -0.0009338800000000 ] - [ -0.0001533300000000, 0.0000449900000000, -0.0004415700000000 ] - [ -0.0009975600000000, -0.0006379200000000, 0.0002512700000000 ] - [ -0.0004430500000000, -0.0003583200000000, -0.0002327300000000 ] - [ -0.0001480000000000, -0.0002541100000000, 0.0001541600000000 ] - [ -0.0001305800000000, -0.0000770400000000, 0.0002677900000000 ] - [ -0.0015081900000000, -0.0002729300000000, -0.0009933300000000 ] - [ -0.0004419800000000, -0.0000127300000000, -0.0001472900000000 ] - [ 0.0004598300000000, 0.0000399100000000, 0.0003914600000000 ] - [ -0.0002482900000000, 0.0001704500000000, 0.0007885100000000 ] - [ -0.0008691200000000, 0.0002669000000000, -0.0002579100000000 ] - [ -0.0001237800000000, 0.0000321400000000, -0.0005297300000000 ] - [ 0.0003221200000000, 0.0003290600000000, -0.0004394200000000 ] - [ -0.0012843000000000, 0.0001119700000000, -0.0002587900000000 ] - [ -0.0002327400000000, 0.0001112500000000, -0.0002360600000000 ] - [ -0.0001889100000000, -0.0000669000000000, -0.0004984600000000 ] - [ -0.0002074500000000, -0.0002192400000000, -0.0000474800000000 ] - [ 0.0003256900000000, -0.0002795400000000, -0.0005788400000000 ] - [ -0.0001263600000000, -0.0003216100000000, 0.0001924500000000 ] - [ 0.0002765900000000, -0.0007711900000000, 0.0003742300000000 ] - [ -0.0005133900000000, -0.0013503800000000, 0.0016283000000000 ] - [ 0.0003941500000000, -0.0005292800000000, -0.0001854200000000 ] - [ 0.0009223700000000, 0.0008426600000000, -0.0003068100000000 ] - [ 0.0000583600000000, 0.0005492000000000, -0.0001390700000000 ] - [ -0.0010599800000000, 0.0014735200000000, 0.0029569900000000 ] - [ 0.0004471800000000, -0.0006236700000000, 0.0002798700000000 ] - [ 0.0161622000000000, 0.0341145900000000, -0.0780457100000000 ] - [ 0.0000992000000000, 0.0006870700000000, 0.0001101400000000 ] - [ 0.0003776300000000, -0.0013993300000000, -0.0012264000000000 ] - [ -0.0005735600000000, -0.0006202100000000, -0.0000463800000000 ] - [ -0.0006442100000000, 0.0008846300000000, 0.0000889600000000 ] - [ 0.0000345400000000, 0.0006846500000000, -0.0001811600000000 ] - [ 0.0006949400000000, 0.0003880200000000, 0.0000422500000000 ] - [ -0.0017484100000000, 0.0000054100000000, 0.0005648400000000 ] - [ -0.0006842000000000, 0.0007650400000000, 0.0004913200000000 ] - [ 0.0041579100000000, 0.0024715700000000, -0.0001152900000000 ] - [ 0.0003978900000000, 0.0002012100000000, -0.0020973200000000 ] - [ -0.0001554200000000, 0.0004201200000000, -0.0003160100000000 ] - [ 0.0017002800000000, -0.0013112300000000, -0.0019734300000000 ] - [ -0.0007843600000000, 0.0000746100000000, -0.0004161500000000 ] - [ 0.0017304800000000, 0.0029064900000000, 0.0005341200000000 ] - [ -0.0002941300000000, 0.0000424800000000, 0.0004233900000000 ] - [ -0.0003763900000000, -0.0001802500000000, 0.0004640200000000 ] - [ 0.0001548600000000, -0.0003122900000000, -0.0001903100000000 ] - [ 0.0005828300000000, 0.0001321700000000, -0.0005610500000000 ] - [ 0.0004138000000000, -0.0001300700000000, 0.0000574200000000 ] - [ -0.0073066100000000, 0.0050546800000000, -0.0036359800000000 ] - [ -0.0000207600000000, -0.0002216500000000, -0.0003343700000000 ] - [ -0.0005218400000000, 0.0003769400000000, -0.0000544700000000 ] - [ -0.0001763700000000, -0.0000186000000000, 0.0002231500000000 ] - [ 0.0004974500000000, -0.0024597400000000, -0.0006787900000000 ] - [ -0.0002687400000000, 0.0001437300000000, 0.0004553400000000 ] - [ -0.0008756500000000, -0.0011917600000000, 0.0006108000000000 ] - [ 0.0005841500000000, 0.0001829800000000, 0.0000705500000000 ] - [ 0.0009957700000000, -0.0015196900000000, -0.0046864900000000 ] - [ 0.0002881400000000, 0.0000345200000000, 0.0001530800000000 ] - [ -0.0212010800000000, -0.0484966000000000, 0.1209446900000000 ] - [ -0.0000244100000000, 0.0001149700000000, -0.0001362800000000 ] - [ 0.0061389300000000, 0.0002733800000000, -0.0216114300000000 ] - [ -0.0002632200000000, -0.0002279600000000, 0.0004653400000000 ] - [ 0.0043648500000000, 0.0118133400000000, 0.0013345900000000 ] - [ 0.0004943700000000, 0.0000052900000000, 0.0003793300000000 ] - [ 0.0002452700000000, 0.0000649100000000, -0.0003567400000000 ] - [ -0.0000515000000000, 0.0002505800000000, 0.0000920600000000 ] - [ 0.0006021000000000, -0.0004329600000000, -0.0026523200000000 ] - [ -0.0002592800000000, -0.0001486600000000, -0.0003344100000000 ] - [ -0.0006286600000000, 0.0003964500000000, 0.0003024700000000 ] - [ -0.0003162000000000, 0.0000531900000000, -0.0003175200000000 ] - [ -0.0005958000000000, 0.0019070300000000, -0.0012529300000000 ] - [ 0.0003545600000000, 0.0000810100000000, -0.0007480200000000 ] - [ 0.0001441700000000, 0.0001558700000000, 0.0024009900000000 ] - [ 0.0004332800000000, 0.0000166900000000, 0.0003223900000000 ] - [ 0.0002464600000000, -0.0004955400000000, -0.0008318600000000 ] - [ -0.0006092100000000, 0.0000038800000000, -0.0002465700000000 ] - [ -0.0027303300000000, -0.0009302000000000, -0.0000513800000000 ] - [ 0.0001015200000000, -0.0001685400000000, -0.0002903700000000 ] - [ 0.0006601400000000, 0.0000219400000000, -0.0005602000000000 ] - [ 0.0000862300000000, -0.0001101300000000, -0.0002515700000000 ] - [ -0.0001688000000000, -0.0003495900000000, -0.0005868100000000 ] - [ 0.0005543300000000, -0.0000293800000000, -0.0014013100000000 ] - [ -0.0000138800000000, 0.0003555900000000, 0.0005366800000000 ] - [ 0.0008794900000000, 0.0004791000000000, 0.0000167100000000 ] - [ 0.0003871100000000, 0.0001902900000000, -0.0003415500000000 ] - [ -0.0020506300000000, 0.0003024900000000, -0.0000839000000000 ] - [ -0.0000983700000000, 0.0000035600000000, 0.0009919400000000 ] - [ 0.0010258800000000, -0.0003291500000000, 0.0001975900000000 ] - [ 0.0007921800000000, -0.0001408100000000, -0.0002237200000000 ] - [ -0.0001797700000000, -0.0006762800000000, 0.0020176100000000 ] - [ 0.0006049800000000, -0.0002488500000000, 0.0002679200000000 ] - [ -0.0002576400000000, -0.0002453000000000, 0.0004375800000000 ] - [ 0.0000297200000000, -0.0004524900000000, -0.0003274900000000 ] - [ -0.0015197400000000, -0.0008311800000000, -0.0003812900000000 ]