# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/67cc3c96-b166-4fb4-9760-4bebca4719a5/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 K2In12Se19 / R-3 (148) / materials id 21836](https://mdr.nims.go.jp/datasets/fedb5295-bfc5-4418-8ed6-974965b631da) ## 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: "R-3" number: 148 Hall_symbol: "-R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.925703443333339, 3.998556773333329, 11.641124386666654 ] # a - [ -6.925703456666660, 3.998556743333329, 11.641124386666654 ] # b - [ 0.000000013333340, -7.997113516666671, 11.641124386666654 ] # c points: - symbol: K # 1 coordinates: [ 0.583536290000000, 0.583536300000001, 0.583536290000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.416463700000000, 0.416463710000000, 0.416463700000000 ] mass: 39.098300 - symbol: K # 3 coordinates: [ 0.081212470000000, 0.081212470000000, 0.081212470000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.918787540000000, 0.918787530000001, 0.918787540000000 ] mass: 39.098300 - symbol: Se # 5 coordinates: [ 0.249637910000000, 0.249637910000001, 0.249637910000000 ] mass: 78.960000 - symbol: Se # 6 coordinates: [ 0.750362100000000, 0.750362090000000, 0.750362100000000 ] mass: 78.960000 - symbol: Se # 7 coordinates: [ 0.232034720000000, 0.103822610000000, 0.804953250000000 ] mass: 78.960000 - symbol: Se # 8 coordinates: [ 0.103822610000000, 0.804953250000000, 0.232034720000000 ] mass: 78.960000 - symbol: Se # 9 coordinates: [ 0.804953250000000, 0.232034720000000, 0.103822610000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.767965280000000, 0.896177400000001, 0.195046760000000 ] mass: 78.960000 - symbol: Se # 11 coordinates: [ 0.896177400000000, 0.195046760000001, 0.767965280000000 ] mass: 78.960000 - symbol: Se # 12 coordinates: [ 0.195046760000000, 0.767965280000001, 0.896177400000000 ] mass: 78.960000 - symbol: Se # 13 coordinates: [ 0.733874700000000, 0.619181500000000, 0.283935150000000 ] mass: 78.960000 - symbol: Se # 14 coordinates: [ 0.619181510000000, 0.283935140000001, 0.733874700000000 ] mass: 78.960000 - symbol: Se # 15 coordinates: [ 0.283935150000000, 0.733874690000001, 0.619181510000000 ] mass: 78.960000 - symbol: Se # 16 coordinates: [ 0.266125300000000, 0.380818490000000, 0.716064850000000 ] mass: 78.960000 - symbol: Se # 17 coordinates: [ 0.380818490000000, 0.716064850000000, 0.266125300000000 ] mass: 78.960000 - symbol: Se # 18 coordinates: [ 0.716064850000000, 0.266125300000000, 0.380818490000000 ] mass: 78.960000 - symbol: Se # 19 coordinates: [ 0.845571360000000, 0.612993520000001, 0.488699700000000 ] mass: 78.960000 - symbol: Se # 20 coordinates: [ 0.612993520000000, 0.488699700000001, 0.845571360000000 ] mass: 78.960000 - symbol: Se # 21 coordinates: [ 0.488699700000000, 0.845571360000001, 0.612993520000000 ] mass: 78.960000 - symbol: Se # 22 coordinates: [ 0.154428640000000, 0.387006470000000, 0.511300300000000 ] mass: 78.960000 - symbol: Se # 23 coordinates: [ 0.387006470000000, 0.511300300000000, 0.154428640000000 ] mass: 78.960000 - symbol: Se # 24 coordinates: [ 0.511300300000000, 0.154428640000000, 0.387006470000000 ] mass: 78.960000 - symbol: Se # 25 coordinates: [ 0.343754130000000, 0.119923960000000, 0.011146070000000 ] mass: 78.960000 - symbol: Se # 26 coordinates: [ 0.119923980000000, 0.011146050000000, 0.343754130000000 ] mass: 78.960000 - symbol: Se # 27 coordinates: [ 0.011146070000000, 0.343754110000000, 0.119923980000000 ] mass: 78.960000 - symbol: Se # 28 coordinates: [ 0.656245870000000, 0.880076030000000, 0.988853930000000 ] mass: 78.960000 - symbol: Se # 29 coordinates: [ 0.880076010000000, 0.988853950000000, 0.656245870000000 ] mass: 78.960000 - symbol: Se # 30 coordinates: [ 0.988853930000000, 0.656245890000000, 0.880076010000000 ] mass: 78.960000 - symbol: Se # 31 coordinates: [ 0.968596180000000, 0.410132490000000, 0.806576920000000 ] mass: 78.960000 - symbol: Se # 32 coordinates: [ 0.410132490000000, 0.806576920000000, 0.968596180000000 ] mass: 78.960000 - symbol: Se # 33 coordinates: [ 0.806576920000000, 0.968596180000000, 0.410132490000000 ] mass: 78.960000 - symbol: Se # 34 coordinates: [ 0.031403830000000, 0.589867520000001, 0.193423080000000 ] mass: 78.960000 - symbol: Se # 35 coordinates: [ 0.589867520000000, 0.193423080000001, 0.031403830000000 ] mass: 78.960000 - symbol: Se # 36 coordinates: [ 0.193423080000000, 0.031403830000001, 0.589867520000000 ] mass: 78.960000 - symbol: Se # 37 coordinates: [ 0.473123000000000, 0.910177540000001, 0.324672490000000 ] mass: 78.960000 - symbol: Se # 38 coordinates: [ 0.910177540000000, 0.324672490000001, 0.473123000000000 ] mass: 78.960000 - symbol: Se # 39 coordinates: [ 0.324672490000000, 0.473123000000001, 0.910177540000000 ] mass: 78.960000 - symbol: Se # 40 coordinates: [ 0.526877000000000, 0.089822480000000, 0.675327510000000 ] mass: 78.960000 - symbol: Se # 41 coordinates: [ 0.089822470000000, 0.675327520000000, 0.526877000000000 ] mass: 78.960000 - symbol: Se # 42 coordinates: [ 0.675327510000000, 0.526877010000000, 0.089822470000000 ] mass: 78.960000 - symbol: In # 43 coordinates: [ 0.798113030000000, 0.321405640000000, 0.895628420000000 ] mass: 114.818000 - symbol: In # 44 coordinates: [ 0.321405640000000, 0.895628420000000, 0.798113030000000 ] mass: 114.818000 - symbol: In # 45 coordinates: [ 0.895628420000000, 0.798113030000000, 0.321405640000000 ] mass: 114.818000 - symbol: In # 46 coordinates: [ 0.201886970000000, 0.678594360000001, 0.104371570000000 ] mass: 114.818000 - symbol: In # 47 coordinates: [ 0.678594360000000, 0.104371570000001, 0.201886970000000 ] mass: 114.818000 - symbol: In # 48 coordinates: [ 0.104371570000000, 0.201886970000001, 0.678594360000000 ] mass: 114.818000 - symbol: In # 49 coordinates: [ 0.306170650000000, 0.827535250000000, 0.400792730000000 ] mass: 114.818000 - symbol: In # 50 coordinates: [ 0.827535250000000, 0.400792730000000, 0.306170650000000 ] mass: 114.818000 - symbol: In # 51 coordinates: [ 0.400792730000000, 0.306170650000000, 0.827535250000000 ] mass: 114.818000 - symbol: In # 52 coordinates: [ 0.693829350000000, 0.172464740000000, 0.599207270000000 ] mass: 114.818000 - symbol: In # 53 coordinates: [ 0.172464740000000, 0.599207270000000, 0.693829350000000 ] mass: 114.818000 - symbol: In # 54 coordinates: [ 0.599207270000000, 0.693829350000000, 0.172464740000000 ] mass: 114.818000 - symbol: In # 55 coordinates: [ 0.599365210000000, 0.633640620000000, 0.910553110000000 ] mass: 114.818000 - symbol: In # 56 coordinates: [ 0.633640600000000, 0.910553130000000, 0.599365210000000 ] mass: 114.818000 - symbol: In # 57 coordinates: [ 0.910553110000000, 0.599365230000000, 0.633640600000000 ] mass: 114.818000 - symbol: In # 58 coordinates: [ 0.400634790000000, 0.366359400000001, 0.089446890000000 ] mass: 114.818000 - symbol: In # 59 coordinates: [ 0.366359400000000, 0.089446890000001, 0.400634790000000 ] mass: 114.818000 - symbol: In # 60 coordinates: [ 0.089446890000000, 0.400634790000001, 0.366359400000000 ] mass: 114.818000 - symbol: In # 61 coordinates: [ 0.896938600000000, 0.493966980000000, 0.967797550000000 ] mass: 114.818000 - symbol: In # 62 coordinates: [ 0.493966990000000, 0.967797540000000, 0.896938600000000 ] mass: 114.818000 - symbol: In # 63 coordinates: [ 0.967797550000000, 0.896938590000000, 0.493966990000000 ] mass: 114.818000 - symbol: In # 64 coordinates: [ 0.103061410000000, 0.506033020000000, 0.032202460000000 ] mass: 114.818000 - symbol: In # 65 coordinates: [ 0.506033020000000, 0.032202460000001, 0.103061410000000 ] mass: 114.818000 - symbol: In # 66 coordinates: [ 0.032202460000000, 0.103061410000000, 0.506033020000000 ] mass: 114.818000 reciprocal_lattice: # without 2pi - [ 0.072194832335013, 0.041681705980694, 0.028634118342995 ] # a* - [ -0.072194832515566, 0.041681705739957, 0.028634118342995 ] # b* - [ 0.000000000180552, -0.083363411720651, 0.028634118342995 ] # c*unit_cell: lattice: - [ 13.851406900000001, 0.000000030000000, 0.000000000000000 ] # a - [ -6.925703470000000, 11.995670260000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 34.923373159999997 ] # c points: - symbol: K # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250202960000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.083130370000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.081212470000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.252120870000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.583536300000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.416463700000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 7 coordinates: [ 0.666666670000000, 0.333333330000000, 0.414545800000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.585454200000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.916869630000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 10 coordinates: [ 0.666666670000000, 0.333333330000000, 0.749797040000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.747879130000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.918787530000000 ] mass: 39.098300 reduced_to: 4 - symbol: Se # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.249637910000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.666666670000000, 0.333333330000000, 0.083695430000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.185097860000000, 0.241983610000000, 0.046936860000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 16 coordinates: [ 0.056885750000000, 0.814902140000000, 0.046936860000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 17 coordinates: [ 0.758016390000000, 0.943114250000000, 0.046936860000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.481568800000000, 0.091349720000000, 0.286396480000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 19 coordinates: [ 0.609780920000000, 0.518431200000000, 0.286396480000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.908650280000000, 0.390219080000000, 0.286396480000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 21 coordinates: [ 0.521544250000000, 0.928395300000000, 0.212330450000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 22 coordinates: [ 0.406851060000000, 0.478455750000000, 0.212330450000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 23 coordinates: [ 0.071604700000000, 0.593148940000000, 0.212330450000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 24 coordinates: [ 0.145122420000000, 0.404938030000000, 0.121002880000000 ] mass: 78.960000 reduced_to: 24 - symbol: Se # 25 coordinates: [ 0.259815610000000, 0.854877580000000, 0.121002880000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 26 coordinates: [ 0.595061970000000, 0.740184390000000, 0.121002880000000 ] mass: 78.960000 reduced_to: 26 - symbol: Se # 27 coordinates: [ 0.529816500000000, 0.827055160000000, 0.315754860000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 28 coordinates: [ 0.297238660000000, 0.470183500000000, 0.315754860000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 29 coordinates: [ 0.172944840000000, 0.702761340000000, 0.315754860000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 30 coordinates: [ 0.136850170000000, 0.506278170000000, 0.017578470000000 ] mass: 78.960000 reduced_to: 30 - symbol: Se # 31 coordinates: [ 0.369428000000000, 0.863149830000000, 0.017578470000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 32 coordinates: [ 0.493721830000000, 0.630572000000000, 0.017578470000000 ] mass: 78.960000 reduced_to: 32 - symbol: Se # 33 coordinates: [ 0.185479410000000, 0.147128650000000, 0.158274720000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.961649260000000, 0.814520590000000, 0.158274720000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 35 coordinates: [ 0.852871350000000, 0.038350740000000, 0.158274720000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 36 coordinates: [ 0.481187260000000, 0.186204680000000, 0.175058610000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 37 coordinates: [ 0.705017400000000, 0.518812740000000, 0.175058610000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.813795320000000, 0.294982600000000, 0.175058610000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 39 coordinates: [ 0.906827650000000, 0.255191610000000, 0.061768530000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 40 coordinates: [ 0.348363960000000, 0.093172350000000, 0.061768530000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 41 coordinates: [ 0.744808390000000, 0.651636040000000, 0.061768530000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.759839020000000, 0.078141730000000, 0.271564810000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 43 coordinates: [ 0.318302710000000, 0.240160980000000, 0.271564810000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.921858270000000, 0.681697290000000, 0.271564810000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 45 coordinates: [ 0.237131990000000, 0.911318520000000, 0.235991010000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.674186530000000, 0.762868010000000, 0.235991010000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 47 coordinates: [ 0.088681480000000, 0.325813470000000, 0.235991010000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 48 coordinates: [ 0.429534670000000, 0.422014820000000, 0.097342330000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 49 coordinates: [ 0.992480140000000, 0.570465330000000, 0.097342330000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.577985180000000, 0.007519860000000, 0.097342330000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 51 coordinates: [ 0.666666670000000, 0.333333330000000, 0.582971240000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 52 coordinates: [ 0.333333330000000, 0.666666670000000, 0.417028760000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 53 coordinates: [ 0.851764530000000, 0.575316950000000, 0.380270190000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 54 coordinates: [ 0.723552420000000, 0.148235470000000, 0.380270190000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 55 coordinates: [ 0.424683050000000, 0.276447580000000, 0.380270190000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 56 coordinates: [ 0.148235470000000, 0.424683050000000, 0.619729810000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 57 coordinates: [ 0.276447580000000, 0.851764530000000, 0.619729810000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 58 coordinates: [ 0.575316950000000, 0.723552420000000, 0.619729810000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 59 coordinates: [ 0.188210920000000, 0.261728640000000, 0.545663790000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 60 coordinates: [ 0.073517720000000, 0.811789080000000, 0.545663790000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 61 coordinates: [ 0.738271360000000, 0.926482280000000, 0.545663790000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 62 coordinates: [ 0.811789080000000, 0.738271360000000, 0.454336210000000 ] mass: 78.960000 reduced_to: 24 - symbol: Se # 63 coordinates: [ 0.926482280000000, 0.188210920000000, 0.454336210000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 64 coordinates: [ 0.261728640000000, 0.073517720000000, 0.454336210000000 ] mass: 78.960000 reduced_to: 26 - symbol: Se # 65 coordinates: [ 0.196483160000000, 0.160388490000000, 0.649088200000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 66 coordinates: [ 0.963905330000000, 0.803516840000000, 0.649088200000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 67 coordinates: [ 0.839611510000000, 0.036094670000000, 0.649088200000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 68 coordinates: [ 0.803516840000000, 0.839611510000000, 0.350911800000000 ] mass: 78.960000 reduced_to: 30 - symbol: Se # 69 coordinates: [ 0.036094670000000, 0.196483160000000, 0.350911800000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 70 coordinates: [ 0.160388490000000, 0.963905330000000, 0.350911800000000 ] mass: 78.960000 reduced_to: 32 - symbol: Se # 71 coordinates: [ 0.852146080000000, 0.480461990000000, 0.491608060000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 72 coordinates: [ 0.628315930000000, 0.147853920000000, 0.491608060000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 73 coordinates: [ 0.519538010000000, 0.371684070000000, 0.491608060000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 74 coordinates: [ 0.147853920000000, 0.519538010000000, 0.508391940000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 75 coordinates: [ 0.371684070000000, 0.852146080000000, 0.508391940000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 76 coordinates: [ 0.480461990000000, 0.628315930000000, 0.508391940000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 77 coordinates: [ 0.573494320000000, 0.588524940000000, 0.395101860000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 78 coordinates: [ 0.015030620000000, 0.426505680000000, 0.395101860000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 79 coordinates: [ 0.411475060000000, 0.984969380000000, 0.395101860000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 80 coordinates: [ 0.426505680000000, 0.411475060000000, 0.604898140000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 81 coordinates: [ 0.984969380000000, 0.573494320000000, 0.604898140000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 82 coordinates: [ 0.588524940000000, 0.015030620000000, 0.604898140000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 83 coordinates: [ 0.903798660000000, 0.244651850000000, 0.569324340000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 84 coordinates: [ 0.340853190000000, 0.096201340000000, 0.569324340000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 85 coordinates: [ 0.755348150000000, 0.659146810000000, 0.569324340000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 86 coordinates: [ 0.096201340000000, 0.755348150000000, 0.430675660000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 87 coordinates: [ 0.659146810000000, 0.903798660000000, 0.430675660000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 88 coordinates: [ 0.244651850000000, 0.340853190000000, 0.430675660000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 89 coordinates: [ 0.333333330000000, 0.666666670000000, 0.916304570000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 90 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750362090000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 91 coordinates: [ 0.518431200000000, 0.908650280000000, 0.713603520000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 92 coordinates: [ 0.390219080000000, 0.481568800000000, 0.713603520000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 93 coordinates: [ 0.091349720000000, 0.609780920000000, 0.713603520000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 94 coordinates: [ 0.814902140000000, 0.758016390000000, 0.953063140000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 95 coordinates: [ 0.943114250000000, 0.185097860000000, 0.953063140000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 96 coordinates: [ 0.241983610000000, 0.056885750000000, 0.953063140000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 97 coordinates: [ 0.854877580000000, 0.595061970000000, 0.878997120000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 98 coordinates: [ 0.740184390000000, 0.145122420000000, 0.878997120000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 99 coordinates: [ 0.404938030000000, 0.259815610000000, 0.878997120000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 100 coordinates: [ 0.478455750000000, 0.071604700000000, 0.787669550000000 ] mass: 78.960000 reduced_to: 24 - symbol: Se # 101 coordinates: [ 0.593148940000000, 0.521544250000000, 0.787669550000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 102 coordinates: [ 0.928395300000000, 0.406851060000000, 0.787669550000000 ] mass: 78.960000 reduced_to: 26 - symbol: Se # 103 coordinates: [ 0.863149830000000, 0.493721830000000, 0.982421530000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 104 coordinates: [ 0.630572000000000, 0.136850170000000, 0.982421530000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 105 coordinates: [ 0.506278170000000, 0.369428000000000, 0.982421530000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 106 coordinates: [ 0.470183500000000, 0.172944840000000, 0.684245140000000 ] mass: 78.960000 reduced_to: 30 - symbol: Se # 107 coordinates: [ 0.702761340000000, 0.529816500000000, 0.684245140000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 108 coordinates: [ 0.827055160000000, 0.297238660000000, 0.684245140000000 ] mass: 78.960000 reduced_to: 32 - symbol: Se # 109 coordinates: [ 0.518812740000000, 0.813795320000000, 0.824941390000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 110 coordinates: [ 0.294982600000000, 0.481187260000000, 0.824941390000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 111 coordinates: [ 0.186204680000000, 0.705017400000000, 0.824941390000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 112 coordinates: [ 0.814520590000000, 0.852871350000000, 0.841725280000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 113 coordinates: [ 0.038350740000000, 0.185479410000000, 0.841725280000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 114 coordinates: [ 0.147128650000000, 0.961649260000000, 0.841725280000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 115 coordinates: [ 0.240160980000000, 0.921858270000000, 0.728435190000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 116 coordinates: [ 0.681697290000000, 0.759839020000000, 0.728435190000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 117 coordinates: [ 0.078141730000000, 0.318302710000000, 0.728435190000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 118 coordinates: [ 0.093172350000000, 0.744808390000000, 0.938231470000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 119 coordinates: [ 0.651636040000000, 0.906827650000000, 0.938231470000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 120 coordinates: [ 0.255191610000000, 0.348363960000000, 0.938231470000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 121 coordinates: [ 0.570465330000000, 0.577985180000000, 0.902657670000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 122 coordinates: [ 0.007519860000000, 0.429534670000000, 0.902657670000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 123 coordinates: [ 0.422014820000000, 0.992480140000000, 0.902657670000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 124 coordinates: [ 0.762868010000000, 0.088681480000000, 0.764008990000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 125 coordinates: [ 0.325813470000000, 0.237131990000000, 0.764008990000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 126 coordinates: [ 0.911318520000000, 0.674186530000000, 0.764008990000000 ] mass: 78.960000 reduced_to: 50 - symbol: In # 127 coordinates: [ 0.793064000000000, 0.109420610000000, 0.005049030000000 ] mass: 114.818000 reduced_to: 127 - symbol: In # 128 coordinates: [ 0.316356610000000, 0.206936000000000, 0.005049030000000 ] mass: 114.818000 reduced_to: 128 - symbol: In # 129 coordinates: [ 0.890579390000000, 0.683643390000000, 0.005049030000000 ] mass: 114.818000 reduced_to: 129 - symbol: In # 130 coordinates: [ 0.873602670000000, 0.223912730000000, 0.328284300000000 ] mass: 114.818000 reduced_to: 130 - symbol: In # 131 coordinates: [ 0.350310060000000, 0.126397330000000, 0.328284300000000 ] mass: 114.818000 reduced_to: 131 - symbol: In # 132 coordinates: [ 0.776087270000000, 0.649689940000000, 0.328284300000000 ] mass: 114.818000 reduced_to: 132 - symbol: In # 133 coordinates: [ 0.128004440000000, 0.777373480000000, 0.178166210000000 ] mass: 114.818000 reduced_to: 133 - symbol: In # 134 coordinates: [ 0.649369040000000, 0.871995560000000, 0.178166210000000 ] mass: 114.818000 reduced_to: 134 - symbol: In # 135 coordinates: [ 0.222626520000000, 0.350630960000000, 0.178166210000000 ] mass: 114.818000 reduced_to: 135 - symbol: In # 136 coordinates: [ 0.538662230000000, 0.555959850000000, 0.155167120000000 ] mass: 114.818000 reduced_to: 136 - symbol: In # 137 coordinates: [ 0.017297620000000, 0.461337770000000, 0.155167120000000 ] mass: 114.818000 reduced_to: 137 - symbol: In # 138 coordinates: [ 0.444040150000000, 0.982702380000000, 0.155167120000000 ] mass: 114.818000 reduced_to: 138 - symbol: In # 139 coordinates: [ 0.551512230000000, 0.137299870000000, 0.047852980000000 ] mass: 114.818000 reduced_to: 139 - symbol: In # 140 coordinates: [ 0.585787620000000, 0.448487770000000, 0.047852980000000 ] mass: 114.818000 reduced_to: 140 - symbol: In # 141 coordinates: [ 0.862700130000000, 0.414212380000000, 0.047852980000000 ] mass: 114.818000 reduced_to: 141 - symbol: In # 142 coordinates: [ 0.115154430000000, 0.196033470000000, 0.285480360000000 ] mass: 114.818000 reduced_to: 142 - symbol: In # 143 coordinates: [ 0.080879040000000, 0.884845570000000, 0.285480360000000 ] mass: 114.818000 reduced_to: 143 - symbol: In # 144 coordinates: [ 0.803966530000000, 0.919120960000000, 0.285480360000000 ] mass: 114.818000 reduced_to: 144 - symbol: In # 145 coordinates: [ 0.777370890000000, 0.151770160000000, 0.119567710000000 ] mass: 114.818000 reduced_to: 145 - symbol: In # 146 coordinates: [ 0.374399280000000, 0.222629110000000, 0.119567710000000 ] mass: 114.818000 reduced_to: 146 - symbol: In # 147 coordinates: [ 0.848229840000000, 0.625600720000000, 0.119567710000000 ] mass: 114.818000 reduced_to: 147 - symbol: In # 148 coordinates: [ 0.889295780000000, 0.181563170000000, 0.213765630000000 ] mass: 114.818000 reduced_to: 148 - symbol: In # 149 coordinates: [ 0.292267390000000, 0.110704220000000, 0.213765630000000 ] mass: 114.818000 reduced_to: 149 - symbol: In # 150 coordinates: [ 0.818436830000000, 0.707732610000000, 0.213765630000000 ] mass: 114.818000 reduced_to: 150 - symbol: In # 151 coordinates: [ 0.459730660000000, 0.442753940000000, 0.338382360000000 ] mass: 114.818000 reduced_to: 127 - symbol: In # 152 coordinates: [ 0.983023280000000, 0.540269340000000, 0.338382360000000 ] mass: 114.818000 reduced_to: 128 - symbol: In # 153 coordinates: [ 0.557246060000000, 0.016976720000000, 0.338382360000000 ] mass: 114.818000 reduced_to: 129 - symbol: In # 154 coordinates: [ 0.540269340000000, 0.557246060000000, 0.661617640000000 ] mass: 114.818000 reduced_to: 130 - symbol: In # 155 coordinates: [ 0.016976720000000, 0.459730660000000, 0.661617640000000 ] mass: 114.818000 reduced_to: 131 - symbol: In # 156 coordinates: [ 0.442753940000000, 0.983023280000000, 0.661617640000000 ] mass: 114.818000 reduced_to: 132 - symbol: In # 157 coordinates: [ 0.794671110000000, 0.110706820000000, 0.511499550000000 ] mass: 114.818000 reduced_to: 133 - symbol: In # 158 coordinates: [ 0.316035710000000, 0.205328890000000, 0.511499550000000 ] mass: 114.818000 reduced_to: 134 - symbol: In # 159 coordinates: [ 0.889293180000000, 0.683964290000000, 0.511499550000000 ] mass: 114.818000 reduced_to: 135 - symbol: In # 160 coordinates: [ 0.205328890000000, 0.889293180000000, 0.488500450000000 ] mass: 114.818000 reduced_to: 136 - symbol: In # 161 coordinates: [ 0.683964290000000, 0.794671110000000, 0.488500450000000 ] mass: 114.818000 reduced_to: 137 - symbol: In # 162 coordinates: [ 0.110706820000000, 0.316035710000000, 0.488500450000000 ] mass: 114.818000 reduced_to: 138 - symbol: In # 163 coordinates: [ 0.218178900000000, 0.470633200000000, 0.381186310000000 ] mass: 114.818000 reduced_to: 139 - symbol: In # 164 coordinates: [ 0.252454290000000, 0.781821100000000, 0.381186310000000 ] mass: 114.818000 reduced_to: 140 - symbol: In # 165 coordinates: [ 0.529366800000000, 0.747545710000000, 0.381186310000000 ] mass: 114.818000 reduced_to: 141 - symbol: In # 166 coordinates: [ 0.781821100000000, 0.529366800000000, 0.618813690000000 ] mass: 114.818000 reduced_to: 142 - symbol: In # 167 coordinates: [ 0.747545710000000, 0.218178900000000, 0.618813690000000 ] mass: 114.818000 reduced_to: 143 - symbol: In # 168 coordinates: [ 0.470633200000000, 0.252454290000000, 0.618813690000000 ] mass: 114.818000 reduced_to: 144 - symbol: In # 169 coordinates: [ 0.444037550000000, 0.485103500000000, 0.452901040000000 ] mass: 114.818000 reduced_to: 145 - symbol: In # 170 coordinates: [ 0.041065940000000, 0.555962450000000, 0.452901040000000 ] mass: 114.818000 reduced_to: 146 - symbol: In # 171 coordinates: [ 0.514896500000000, 0.958934060000000, 0.452901040000000 ] mass: 114.818000 reduced_to: 147 - symbol: In # 172 coordinates: [ 0.555962450000000, 0.514896500000000, 0.547098960000000 ] mass: 114.818000 reduced_to: 148 - symbol: In # 173 coordinates: [ 0.958934060000000, 0.444037550000000, 0.547098960000000 ] mass: 114.818000 reduced_to: 149 - symbol: In # 174 coordinates: [ 0.485103500000000, 0.041065940000000, 0.547098960000000 ] mass: 114.818000 reduced_to: 150 - symbol: In # 175 coordinates: [ 0.126397330000000, 0.776087270000000, 0.671715700000000 ] mass: 114.818000 reduced_to: 127 - symbol: In # 176 coordinates: [ 0.649689940000000, 0.873602670000000, 0.671715700000000 ] mass: 114.818000 reduced_to: 128 - symbol: In # 177 coordinates: [ 0.223912730000000, 0.350310060000000, 0.671715700000000 ] mass: 114.818000 reduced_to: 129 - symbol: In # 178 coordinates: [ 0.206936000000000, 0.890579390000000, 0.994950970000000 ] mass: 114.818000 reduced_to: 130 - symbol: In # 179 coordinates: [ 0.683643390000000, 0.793064000000000, 0.994950970000000 ] mass: 114.818000 reduced_to: 131 - symbol: In # 180 coordinates: [ 0.109420610000000, 0.316356610000000, 0.994950970000000 ] mass: 114.818000 reduced_to: 132 - symbol: In # 181 coordinates: [ 0.461337770000000, 0.444040150000000, 0.844832880000000 ] mass: 114.818000 reduced_to: 133 - symbol: In # 182 coordinates: [ 0.982702380000000, 0.538662230000000, 0.844832880000000 ] mass: 114.818000 reduced_to: 134 - symbol: In # 183 coordinates: [ 0.555959850000000, 0.017297620000000, 0.844832880000000 ] mass: 114.818000 reduced_to: 135 - symbol: In # 184 coordinates: [ 0.871995560000000, 0.222626520000000, 0.821833790000000 ] mass: 114.818000 reduced_to: 136 - symbol: In # 185 coordinates: [ 0.350630960000000, 0.128004440000000, 0.821833790000000 ] mass: 114.818000 reduced_to: 137 - symbol: In # 186 coordinates: [ 0.777373480000000, 0.649369040000000, 0.821833790000000 ] mass: 114.818000 reduced_to: 138 - symbol: In # 187 coordinates: [ 0.884845570000000, 0.803966530000000, 0.714519640000000 ] mass: 114.818000 reduced_to: 139 - symbol: In # 188 coordinates: [ 0.919120960000000, 0.115154430000000, 0.714519640000000 ] mass: 114.818000 reduced_to: 140 - symbol: In # 189 coordinates: [ 0.196033470000000, 0.080879040000000, 0.714519640000000 ] mass: 114.818000 reduced_to: 141 - symbol: In # 190 coordinates: [ 0.448487770000000, 0.862700130000000, 0.952147020000000 ] mass: 114.818000 reduced_to: 142 - symbol: In # 191 coordinates: [ 0.414212380000000, 0.551512230000000, 0.952147020000000 ] mass: 114.818000 reduced_to: 143 - symbol: In # 192 coordinates: [ 0.137299870000000, 0.585787620000000, 0.952147020000000 ] mass: 114.818000 reduced_to: 144 - symbol: In # 193 coordinates: [ 0.110704220000000, 0.818436830000000, 0.786234370000000 ] mass: 114.818000 reduced_to: 145 - symbol: In # 194 coordinates: [ 0.707732610000000, 0.889295780000000, 0.786234370000000 ] mass: 114.818000 reduced_to: 146 - symbol: In # 195 coordinates: [ 0.181563170000000, 0.292267390000000, 0.786234370000000 ] mass: 114.818000 reduced_to: 147 - symbol: In # 196 coordinates: [ 0.222629110000000, 0.848229840000000, 0.880432290000000 ] mass: 114.818000 reduced_to: 148 - symbol: In # 197 coordinates: [ 0.625600720000000, 0.777370890000000, 0.880432290000000 ] mass: 114.818000 reduced_to: 149 - symbol: In # 198 coordinates: [ 0.151770160000000, 0.374399280000000, 0.880432290000000 ] mass: 114.818000 reduced_to: 150supercell: lattice: - [ 13.851406900000001, 0.000000030000000, 0.000000000000000 ] # a - [ -6.925703470000000, 11.995670260000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 34.923373159999997 ] # c points: - symbol: K # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250202960000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.083130370000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.081212470000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.252120870000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.583536300000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.416463700000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 7 coordinates: [ 0.666666670000000, 0.333333330000000, 0.414545800000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.585454200000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.916869630000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 10 coordinates: [ 0.666666670000000, 0.333333330000000, 0.749797040000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.747879130000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.918787530000000 ] mass: 39.098300 reduced_to: 4 - symbol: Se # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.249637910000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.666666670000000, 0.333333330000000, 0.083695430000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.185097860000000, 0.241983610000000, 0.046936860000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 16 coordinates: [ 0.056885750000000, 0.814902140000000, 0.046936860000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 17 coordinates: [ 0.758016390000000, 0.943114250000000, 0.046936860000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.481568800000000, 0.091349720000000, 0.286396480000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 19 coordinates: [ 0.609780920000000, 0.518431200000000, 0.286396480000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.908650280000000, 0.390219080000000, 0.286396480000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 21 coordinates: [ 0.521544250000000, 0.928395300000000, 0.212330450000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 22 coordinates: [ 0.406851060000000, 0.478455750000000, 0.212330450000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 23 coordinates: [ 0.071604700000000, 0.593148940000000, 0.212330450000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 24 coordinates: [ 0.145122420000000, 0.404938030000000, 0.121002880000000 ] mass: 78.960000 reduced_to: 24 - symbol: Se # 25 coordinates: [ 0.259815610000000, 0.854877580000000, 0.121002880000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 26 coordinates: [ 0.595061970000000, 0.740184390000000, 0.121002880000000 ] mass: 78.960000 reduced_to: 26 - symbol: Se # 27 coordinates: [ 0.529816500000000, 0.827055160000000, 0.315754860000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 28 coordinates: [ 0.297238660000000, 0.470183500000000, 0.315754860000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 29 coordinates: [ 0.172944840000000, 0.702761340000000, 0.315754860000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 30 coordinates: [ 0.136850170000000, 0.506278170000000, 0.017578470000000 ] mass: 78.960000 reduced_to: 30 - symbol: Se # 31 coordinates: [ 0.369428000000000, 0.863149830000000, 0.017578470000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 32 coordinates: [ 0.493721830000000, 0.630572000000000, 0.017578470000000 ] mass: 78.960000 reduced_to: 32 - symbol: Se # 33 coordinates: [ 0.185479410000000, 0.147128650000000, 0.158274720000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.961649260000000, 0.814520590000000, 0.158274720000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 35 coordinates: [ 0.852871350000000, 0.038350740000000, 0.158274720000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 36 coordinates: [ 0.481187260000000, 0.186204680000000, 0.175058610000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 37 coordinates: [ 0.705017400000000, 0.518812740000000, 0.175058610000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.813795320000000, 0.294982600000000, 0.175058610000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 39 coordinates: [ 0.906827650000000, 0.255191610000000, 0.061768530000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 40 coordinates: [ 0.348363960000000, 0.093172350000000, 0.061768530000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 41 coordinates: [ 0.744808390000000, 0.651636040000000, 0.061768530000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.759839020000000, 0.078141730000000, 0.271564810000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 43 coordinates: [ 0.318302710000000, 0.240160980000000, 0.271564810000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.921858270000000, 0.681697290000000, 0.271564810000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 45 coordinates: [ 0.237131990000000, 0.911318520000000, 0.235991010000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.674186530000000, 0.762868010000000, 0.235991010000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 47 coordinates: [ 0.088681480000000, 0.325813470000000, 0.235991010000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 48 coordinates: [ 0.429534670000000, 0.422014820000000, 0.097342330000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 49 coordinates: [ 0.992480140000000, 0.570465330000000, 0.097342330000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.577985180000000, 0.007519860000000, 0.097342330000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 51 coordinates: [ 0.666666670000000, 0.333333330000000, 0.582971240000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 52 coordinates: [ 0.333333330000000, 0.666666670000000, 0.417028760000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 53 coordinates: [ 0.851764530000000, 0.575316950000000, 0.380270190000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 54 coordinates: [ 0.723552420000000, 0.148235470000000, 0.380270190000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 55 coordinates: [ 0.424683050000000, 0.276447580000000, 0.380270190000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 56 coordinates: [ 0.148235470000000, 0.424683050000000, 0.619729810000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 57 coordinates: [ 0.276447580000000, 0.851764530000000, 0.619729810000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 58 coordinates: [ 0.575316950000000, 0.723552420000000, 0.619729810000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 59 coordinates: [ 0.188210920000000, 0.261728640000000, 0.545663790000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 60 coordinates: [ 0.073517720000000, 0.811789080000000, 0.545663790000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 61 coordinates: [ 0.738271360000000, 0.926482280000000, 0.545663790000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 62 coordinates: [ 0.811789080000000, 0.738271360000000, 0.454336210000000 ] mass: 78.960000 reduced_to: 24 - symbol: Se # 63 coordinates: [ 0.926482280000000, 0.188210920000000, 0.454336210000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 64 coordinates: [ 0.261728640000000, 0.073517720000000, 0.454336210000000 ] mass: 78.960000 reduced_to: 26 - symbol: Se # 65 coordinates: [ 0.196483160000000, 0.160388490000000, 0.649088200000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 66 coordinates: [ 0.963905330000000, 0.803516840000000, 0.649088200000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 67 coordinates: [ 0.839611510000000, 0.036094670000000, 0.649088200000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 68 coordinates: [ 0.803516840000000, 0.839611510000000, 0.350911800000000 ] mass: 78.960000 reduced_to: 30 - symbol: Se # 69 coordinates: [ 0.036094670000000, 0.196483160000000, 0.350911800000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 70 coordinates: [ 0.160388490000000, 0.963905330000000, 0.350911800000000 ] mass: 78.960000 reduced_to: 32 - symbol: Se # 71 coordinates: [ 0.852146080000000, 0.480461990000000, 0.491608060000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 72 coordinates: [ 0.628315930000000, 0.147853920000000, 0.491608060000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 73 coordinates: [ 0.519538010000000, 0.371684070000000, 0.491608060000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 74 coordinates: [ 0.147853920000000, 0.519538010000000, 0.508391940000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 75 coordinates: [ 0.371684070000000, 0.852146080000000, 0.508391940000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 76 coordinates: [ 0.480461990000000, 0.628315930000000, 0.508391940000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 77 coordinates: [ 0.573494320000000, 0.588524940000000, 0.395101860000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 78 coordinates: [ 0.015030620000000, 0.426505680000000, 0.395101860000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 79 coordinates: [ 0.411475060000000, 0.984969380000000, 0.395101860000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 80 coordinates: [ 0.426505680000000, 0.411475060000000, 0.604898140000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 81 coordinates: [ 0.984969380000000, 0.573494320000000, 0.604898140000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 82 coordinates: [ 0.588524940000000, 0.015030620000000, 0.604898140000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 83 coordinates: [ 0.903798660000000, 0.244651850000000, 0.569324340000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 84 coordinates: [ 0.340853190000000, 0.096201340000000, 0.569324340000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 85 coordinates: [ 0.755348150000000, 0.659146810000000, 0.569324340000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 86 coordinates: [ 0.096201340000000, 0.755348150000000, 0.430675660000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 87 coordinates: [ 0.659146810000000, 0.903798660000000, 0.430675660000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 88 coordinates: [ 0.244651850000000, 0.340853190000000, 0.430675660000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 89 coordinates: [ 0.333333330000000, 0.666666670000000, 0.916304570000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 90 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750362090000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 91 coordinates: [ 0.518431200000000, 0.908650280000000, 0.713603520000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 92 coordinates: [ 0.390219080000000, 0.481568800000000, 0.713603520000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 93 coordinates: [ 0.091349720000000, 0.609780920000000, 0.713603520000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 94 coordinates: [ 0.814902140000000, 0.758016390000000, 0.953063140000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 95 coordinates: [ 0.943114250000000, 0.185097860000000, 0.953063140000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 96 coordinates: [ 0.241983610000000, 0.056885750000000, 0.953063140000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 97 coordinates: [ 0.854877580000000, 0.595061970000000, 0.878997120000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 98 coordinates: [ 0.740184390000000, 0.145122420000000, 0.878997120000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 99 coordinates: [ 0.404938030000000, 0.259815610000000, 0.878997120000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 100 coordinates: [ 0.478455750000000, 0.071604700000000, 0.787669550000000 ] mass: 78.960000 reduced_to: 24 - symbol: Se # 101 coordinates: [ 0.593148940000000, 0.521544250000000, 0.787669550000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 102 coordinates: [ 0.928395300000000, 0.406851060000000, 0.787669550000000 ] mass: 78.960000 reduced_to: 26 - symbol: Se # 103 coordinates: [ 0.863149830000000, 0.493721830000000, 0.982421530000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 104 coordinates: [ 0.630572000000000, 0.136850170000000, 0.982421530000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 105 coordinates: [ 0.506278170000000, 0.369428000000000, 0.982421530000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 106 coordinates: [ 0.470183500000000, 0.172944840000000, 0.684245140000000 ] mass: 78.960000 reduced_to: 30 - symbol: Se # 107 coordinates: [ 0.702761340000000, 0.529816500000000, 0.684245140000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 108 coordinates: [ 0.827055160000000, 0.297238660000000, 0.684245140000000 ] mass: 78.960000 reduced_to: 32 - symbol: Se # 109 coordinates: [ 0.518812740000000, 0.813795320000000, 0.824941390000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 110 coordinates: [ 0.294982600000000, 0.481187260000000, 0.824941390000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 111 coordinates: [ 0.186204680000000, 0.705017400000000, 0.824941390000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 112 coordinates: [ 0.814520590000000, 0.852871350000000, 0.841725280000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 113 coordinates: [ 0.038350740000000, 0.185479410000000, 0.841725280000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 114 coordinates: [ 0.147128650000000, 0.961649260000000, 0.841725280000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 115 coordinates: [ 0.240160980000000, 0.921858270000000, 0.728435190000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 116 coordinates: [ 0.681697290000000, 0.759839020000000, 0.728435190000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 117 coordinates: [ 0.078141730000000, 0.318302710000000, 0.728435190000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 118 coordinates: [ 0.093172350000000, 0.744808390000000, 0.938231470000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 119 coordinates: [ 0.651636040000000, 0.906827650000000, 0.938231470000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 120 coordinates: [ 0.255191610000000, 0.348363960000000, 0.938231470000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 121 coordinates: [ 0.570465330000000, 0.577985180000000, 0.902657670000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 122 coordinates: [ 0.007519860000000, 0.429534670000000, 0.902657670000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 123 coordinates: [ 0.422014820000000, 0.992480140000000, 0.902657670000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 124 coordinates: [ 0.762868010000000, 0.088681480000000, 0.764008990000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 125 coordinates: [ 0.325813470000000, 0.237131990000000, 0.764008990000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 126 coordinates: [ 0.911318520000000, 0.674186530000000, 0.764008990000000 ] mass: 78.960000 reduced_to: 50 - symbol: In # 127 coordinates: [ 0.793064000000000, 0.109420610000000, 0.005049030000000 ] mass: 114.818000 reduced_to: 127 - symbol: In # 128 coordinates: [ 0.316356610000000, 0.206936000000000, 0.005049030000000 ] mass: 114.818000 reduced_to: 128 - symbol: In # 129 coordinates: [ 0.890579390000000, 0.683643390000000, 0.005049030000000 ] mass: 114.818000 reduced_to: 129 - symbol: In # 130 coordinates: [ 0.873602670000000, 0.223912730000000, 0.328284300000000 ] mass: 114.818000 reduced_to: 130 - symbol: In # 131 coordinates: [ 0.350310060000000, 0.126397330000000, 0.328284300000000 ] mass: 114.818000 reduced_to: 131 - symbol: In # 132 coordinates: [ 0.776087270000000, 0.649689940000000, 0.328284300000000 ] mass: 114.818000 reduced_to: 132 - symbol: In # 133 coordinates: [ 0.128004440000000, 0.777373480000000, 0.178166210000000 ] mass: 114.818000 reduced_to: 133 - symbol: In # 134 coordinates: [ 0.649369040000000, 0.871995560000000, 0.178166210000000 ] mass: 114.818000 reduced_to: 134 - symbol: In # 135 coordinates: [ 0.222626520000000, 0.350630960000000, 0.178166210000000 ] mass: 114.818000 reduced_to: 135 - symbol: In # 136 coordinates: [ 0.538662230000000, 0.555959850000000, 0.155167120000000 ] mass: 114.818000 reduced_to: 136 - symbol: In # 137 coordinates: [ 0.017297620000000, 0.461337770000000, 0.155167120000000 ] mass: 114.818000 reduced_to: 137 - symbol: In # 138 coordinates: [ 0.444040150000000, 0.982702380000000, 0.155167120000000 ] mass: 114.818000 reduced_to: 138 - symbol: In # 139 coordinates: [ 0.551512230000000, 0.137299870000000, 0.047852980000000 ] mass: 114.818000 reduced_to: 139 - symbol: In # 140 coordinates: [ 0.585787620000000, 0.448487770000000, 0.047852980000000 ] mass: 114.818000 reduced_to: 140 - symbol: In # 141 coordinates: [ 0.862700130000000, 0.414212380000000, 0.047852980000000 ] mass: 114.818000 reduced_to: 141 - symbol: In # 142 coordinates: [ 0.115154430000000, 0.196033470000000, 0.285480360000000 ] mass: 114.818000 reduced_to: 142 - symbol: In # 143 coordinates: [ 0.080879040000000, 0.884845570000000, 0.285480360000000 ] mass: 114.818000 reduced_to: 143 - symbol: In # 144 coordinates: [ 0.803966530000000, 0.919120960000000, 0.285480360000000 ] mass: 114.818000 reduced_to: 144 - symbol: In # 145 coordinates: [ 0.777370890000000, 0.151770160000000, 0.119567710000000 ] mass: 114.818000 reduced_to: 145 - symbol: In # 146 coordinates: [ 0.374399280000000, 0.222629110000000, 0.119567710000000 ] mass: 114.818000 reduced_to: 146 - symbol: In # 147 coordinates: [ 0.848229840000000, 0.625600720000000, 0.119567710000000 ] mass: 114.818000 reduced_to: 147 - symbol: In # 148 coordinates: [ 0.889295780000000, 0.181563170000000, 0.213765630000000 ] mass: 114.818000 reduced_to: 148 - symbol: In # 149 coordinates: [ 0.292267390000000, 0.110704220000000, 0.213765630000000 ] mass: 114.818000 reduced_to: 149 - symbol: In # 150 coordinates: [ 0.818436830000000, 0.707732610000000, 0.213765630000000 ] mass: 114.818000 reduced_to: 150 - symbol: In # 151 coordinates: [ 0.459730660000000, 0.442753940000000, 0.338382360000000 ] mass: 114.818000 reduced_to: 127 - symbol: In # 152 coordinates: [ 0.983023280000000, 0.540269340000000, 0.338382360000000 ] mass: 114.818000 reduced_to: 128 - symbol: In # 153 coordinates: [ 0.557246060000000, 0.016976720000000, 0.338382360000000 ] mass: 114.818000 reduced_to: 129 - symbol: In # 154 coordinates: [ 0.540269340000000, 0.557246060000000, 0.661617640000000 ] mass: 114.818000 reduced_to: 130 - symbol: In # 155 coordinates: [ 0.016976720000000, 0.459730660000000, 0.661617640000000 ] mass: 114.818000 reduced_to: 131 - symbol: In # 156 coordinates: [ 0.442753940000000, 0.983023280000000, 0.661617640000000 ] mass: 114.818000 reduced_to: 132 - symbol: In # 157 coordinates: [ 0.794671110000000, 0.110706820000000, 0.511499550000000 ] mass: 114.818000 reduced_to: 133 - symbol: In # 158 coordinates: [ 0.316035710000000, 0.205328890000000, 0.511499550000000 ] mass: 114.818000 reduced_to: 134 - symbol: In # 159 coordinates: [ 0.889293180000000, 0.683964290000000, 0.511499550000000 ] mass: 114.818000 reduced_to: 135 - symbol: In # 160 coordinates: [ 0.205328890000000, 0.889293180000000, 0.488500450000000 ] mass: 114.818000 reduced_to: 136 - symbol: In # 161 coordinates: [ 0.683964290000000, 0.794671110000000, 0.488500450000000 ] mass: 114.818000 reduced_to: 137 - symbol: In # 162 coordinates: [ 0.110706820000000, 0.316035710000000, 0.488500450000000 ] mass: 114.818000 reduced_to: 138 - symbol: In # 163 coordinates: [ 0.218178900000000, 0.470633200000000, 0.381186310000000 ] mass: 114.818000 reduced_to: 139 - symbol: In # 164 coordinates: [ 0.252454290000000, 0.781821100000000, 0.381186310000000 ] mass: 114.818000 reduced_to: 140 - symbol: In # 165 coordinates: [ 0.529366800000000, 0.747545710000000, 0.381186310000000 ] mass: 114.818000 reduced_to: 141 - symbol: In # 166 coordinates: [ 0.781821100000000, 0.529366800000000, 0.618813690000000 ] mass: 114.818000 reduced_to: 142 - symbol: In # 167 coordinates: [ 0.747545710000000, 0.218178900000000, 0.618813690000000 ] mass: 114.818000 reduced_to: 143 - symbol: In # 168 coordinates: [ 0.470633200000000, 0.252454290000000, 0.618813690000000 ] mass: 114.818000 reduced_to: 144 - symbol: In # 169 coordinates: [ 0.444037550000000, 0.485103500000000, 0.452901040000000 ] mass: 114.818000 reduced_to: 145 - symbol: In # 170 coordinates: [ 0.041065940000000, 0.555962450000000, 0.452901040000000 ] mass: 114.818000 reduced_to: 146 - symbol: In # 171 coordinates: [ 0.514896500000000, 0.958934060000000, 0.452901040000000 ] mass: 114.818000 reduced_to: 147 - symbol: In # 172 coordinates: [ 0.555962450000000, 0.514896500000000, 0.547098960000000 ] mass: 114.818000 reduced_to: 148 - symbol: In # 173 coordinates: [ 0.958934060000000, 0.444037550000000, 0.547098960000000 ] mass: 114.818000 reduced_to: 149 - symbol: In # 174 coordinates: [ 0.485103500000000, 0.041065940000000, 0.547098960000000 ] mass: 114.818000 reduced_to: 150 - symbol: In # 175 coordinates: [ 0.126397330000000, 0.776087270000000, 0.671715700000000 ] mass: 114.818000 reduced_to: 127 - symbol: In # 176 coordinates: [ 0.649689940000000, 0.873602670000000, 0.671715700000000 ] mass: 114.818000 reduced_to: 128 - symbol: In # 177 coordinates: [ 0.223912730000000, 0.350310060000000, 0.671715700000000 ] mass: 114.818000 reduced_to: 129 - symbol: In # 178 coordinates: [ 0.206936000000000, 0.890579390000000, 0.994950970000000 ] mass: 114.818000 reduced_to: 130 - symbol: In # 179 coordinates: [ 0.683643390000000, 0.793064000000000, 0.994950970000000 ] mass: 114.818000 reduced_to: 131 - symbol: In # 180 coordinates: [ 0.109420610000000, 0.316356610000000, 0.994950970000000 ] mass: 114.818000 reduced_to: 132 - symbol: In # 181 coordinates: [ 0.461337770000000, 0.444040150000000, 0.844832880000000 ] mass: 114.818000 reduced_to: 133 - symbol: In # 182 coordinates: [ 0.982702380000000, 0.538662230000000, 0.844832880000000 ] mass: 114.818000 reduced_to: 134 - symbol: In # 183 coordinates: [ 0.555959850000000, 0.017297620000000, 0.844832880000000 ] mass: 114.818000 reduced_to: 135 - symbol: In # 184 coordinates: [ 0.871995560000000, 0.222626520000000, 0.821833790000000 ] mass: 114.818000 reduced_to: 136 - symbol: In # 185 coordinates: [ 0.350630960000000, 0.128004440000000, 0.821833790000000 ] mass: 114.818000 reduced_to: 137 - symbol: In # 186 coordinates: [ 0.777373480000000, 0.649369040000000, 0.821833790000000 ] mass: 114.818000 reduced_to: 138 - symbol: In # 187 coordinates: [ 0.884845570000000, 0.803966530000000, 0.714519640000000 ] mass: 114.818000 reduced_to: 139 - symbol: In # 188 coordinates: [ 0.919120960000000, 0.115154430000000, 0.714519640000000 ] mass: 114.818000 reduced_to: 140 - symbol: In # 189 coordinates: [ 0.196033470000000, 0.080879040000000, 0.714519640000000 ] mass: 114.818000 reduced_to: 141 - symbol: In # 190 coordinates: [ 0.448487770000000, 0.862700130000000, 0.952147020000000 ] mass: 114.818000 reduced_to: 142 - symbol: In # 191 coordinates: [ 0.414212380000000, 0.551512230000000, 0.952147020000000 ] mass: 114.818000 reduced_to: 143 - symbol: In # 192 coordinates: [ 0.137299870000000, 0.585787620000000, 0.952147020000000 ] mass: 114.818000 reduced_to: 144 - symbol: In # 193 coordinates: [ 0.110704220000000, 0.818436830000000, 0.786234370000000 ] mass: 114.818000 reduced_to: 145 - symbol: In # 194 coordinates: [ 0.707732610000000, 0.889295780000000, 0.786234370000000 ] mass: 114.818000 reduced_to: 146 - symbol: In # 195 coordinates: [ 0.181563170000000, 0.292267390000000, 0.786234370000000 ] mass: 114.818000 reduced_to: 147 - symbol: In # 196 coordinates: [ 0.222629110000000, 0.848229840000000, 0.880432290000000 ] mass: 114.818000 reduced_to: 148 - symbol: In # 197 coordinates: [ 0.625600720000000, 0.777370890000000, 0.880432290000000 ] mass: 114.818000 reduced_to: 149 - symbol: In # 198 coordinates: [ 0.151770160000000, 0.374399280000000, 0.880432290000000 ] mass: 114.818000 reduced_to: 150displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000216584, 0.0000000000000000 ] forces: - [ -0.0100864000000000, 0.0000222800000000, -0.0005392800000000 ] - [ -0.0001218000000000, 0.0000008100000000, 0.0005257900000000 ] - [ 0.0000077400000000, -0.0000213500000000, -0.0001172200000000 ] - [ 0.0001274600000000, 0.0000112100000000, 0.0001150200000000 ] - [ 0.0000093300000000, -0.0000089200000000, -0.0005264800000000 ] - [ 0.0000529800000000, 0.0000004500000000, 0.0005264800000000 ] - [ 0.0000031600000000, 0.0000369100000000, -0.0001155100000000 ] - [ -0.0000049600000000, -0.0000012700000000, 0.0001155800000000 ] - [ 0.0000086500000000, 0.0000077000000000, -0.0005253500000000 ] - [ -0.0000010600000000, 0.0000007700000000, 0.0005255700000000 ] - [ 0.0000008700000000, 0.0000001000000000, -0.0001149100000000 ] - [ 0.0000026000000000, -0.0000018400000000, 0.0001172000000000 ] - [ -0.0003213800000000, -0.0002231600000000, -0.0000564300000000 ] - [ -0.0000693000000000, -0.0000289900000000, 0.0000721100000000 ] - [ 0.0001412700000000, -0.0002702400000000, 0.0005769100000000 ] - [ -0.0002938700000000, 0.0001147900000000, 0.0005577400000000 ] - [ 0.0002168200000000, 0.0001764100000000, 0.0005881800000000 ] - [ 0.0001327100000000, 0.0002392400000000, -0.0005149000000000 ] - [ 0.0000519300000000, -0.0000648400000000, -0.0006192600000000 ] - [ -0.0002361700000000, -0.0005856200000000, -0.0005915500000000 ] - [ 0.0010085000000000, 0.0002215300000000, 0.0000876200000000 ] - [ 0.0016053100000000, -0.0015128800000000, -0.0004144000000000 ] - [ 0.0030750600000000, 0.0011171200000000, 0.0006318300000000 ] - [ 0.0000808000000000, 0.0001510400000000, -0.0002152600000000 ] - [ 0.0005847700000000, 0.0004167100000000, -0.0002847600000000 ] - [ -0.0002598600000000, -0.0005139000000000, 0.0001180900000000 ] - [ 0.0014432400000000, 0.0015071000000000, 0.0014711800000000 ] - [ 0.0005801500000000, -0.0011706600000000, 0.0004152400000000 ] - [ 0.0026663400000000, -0.0006886000000000, -0.0026640100000000 ] - [ -0.0000339200000000, -0.0002072300000000, 0.0002746800000000 ] - [ -0.0001348300000000, 0.0001472900000000, 0.0002861900000000 ] - [ 0.0001837800000000, 0.0000394000000000, 0.0003040500000000 ] - [ -0.0000880300000000, 0.0002999700000000, 0.0003382600000000 ] - [ -0.0008031900000000, 0.0002851100000000, 0.0001519700000000 ] - [ 0.0002275400000000, -0.0002151400000000, 0.0003196400000000 ] - [ 0.0001962400000000, 0.0003042500000000, -0.0002365000000000 ] - [ -0.0002396900000000, -0.0001950900000000, -0.0001686200000000 ] - [ -0.0002272000000000, -0.0005046100000000, -0.0003976500000000 ] - [ -0.0008446000000000, 0.0002042800000000, 0.0000872800000000 ] - [ 0.0006162200000000, 0.0006725400000000, 0.0001090200000000 ] - [ 0.0001438000000000, -0.0009027200000000, 0.0001144400000000 ] - [ 0.0008447600000000, -0.0004051500000000, -0.0000614400000000 ] - [ -0.0006393800000000, -0.0004592500000000, -0.0000420300000000 ] - [ -0.0004862200000000, 0.0008228900000000, -0.0002311200000000 ] - [ -0.0001400100000000, 0.0000814400000000, -0.0000216400000000 ] - [ -0.0006771400000000, 0.0003961900000000, -0.0000643100000000 ] - [ 0.0003205800000000, 0.0002355400000000, 0.0001036400000000 ] - [ -0.0002052000000000, 0.0004567700000000, 0.0002997100000000 ] - [ 0.0000839200000000, -0.0004440400000000, -0.0004320400000000 ] - [ -0.0003008600000000, -0.0002469300000000, 0.0000971600000000 ] - [ -0.0000048100000000, -0.0000020000000000, -0.0000709400000000 ] - [ 0.0004461100000000, -0.0000462800000000, 0.0000704500000000 ] - [ -0.0003099600000000, -0.0003922700000000, 0.0006800400000000 ] - [ -0.0002965300000000, -0.0002627900000000, 0.0005120600000000 ] - [ 0.0002081600000000, 0.0003091000000000, 0.0005410300000000 ] - [ -0.0000738200000000, 0.0002821300000000, -0.0005765000000000 ] - [ 0.0002867100000000, -0.0000711700000000, -0.0005784900000000 ] - [ -0.0002091900000000, -0.0002087800000000, -0.0005775000000000 ] - [ 0.0002956500000000, -0.0002995400000000, 0.0000895100000000 ] - [ -0.0004485300000000, -0.0000797900000000, 0.0001972500000000 ] - [ 0.0000988600000000, 0.0003937300000000, 0.0000860500000000 ] - [ -0.0003579300000000, 0.0003210900000000, -0.0001361400000000 ] - [ 0.0004042100000000, 0.0000618000000000, -0.0001144100000000 ] - [ -0.0001178400000000, -0.0003762100000000, -0.0001220300000000 ] - [ 0.0000708600000000, 0.0001913300000000, -0.0002835000000000 ] - [ 0.0001275400000000, -0.0001541900000000, -0.0002812300000000 ] - [ -0.0001967800000000, -0.0000292500000000, -0.0002859000000000 ] - [ -0.0002701800000000, -0.0001871300000000, 0.0002096500000000 ] - [ 0.0000147900000000, 0.0002489700000000, 0.0003030800000000 ] - [ 0.0000897000000000, 0.0003757800000000, 0.0003369000000000 ] - [ -0.0000573800000000, -0.0002092300000000, 0.0002918600000000 ] - [ -0.0001126500000000, 0.0001300900000000, 0.0002679000000000 ] - [ 0.0001806500000000, 0.0000751300000000, 0.0002448000000000 ] - [ 0.0000871000000000, 0.0001608100000000, -0.0002465100000000 ] - [ 0.0001753300000000, -0.0001203400000000, -0.0002651900000000 ] - [ -0.0001848700000000, -0.0000658300000000, -0.0002928100000000 ] - [ -0.0008637200000000, 0.0003107000000000, -0.0000420100000000 ] - [ 0.0007541400000000, 0.0004568800000000, 0.0002398000000000 ] - [ 0.0005031900000000, -0.0008092500000000, 0.0001111900000000 ] - [ 0.0008626300000000, -0.0002366800000000, -0.0001081400000000 ] - [ -0.0006315100000000, -0.0006303500000000, -0.0000970400000000 ] - [ -0.0002278700000000, 0.0008662400000000, -0.0001041800000000 ] - [ -0.0000298200000000, -0.0004025100000000, 0.0000025200000000 ] - [ -0.0003232900000000, 0.0002306900000000, 0.0000048000000000 ] - [ 0.0003500700000000, 0.0001621200000000, 0.0000066400000000 ] - [ -0.0000268700000000, 0.0004717700000000, 0.0004089900000000 ] - [ 0.0002714800000000, -0.0002583700000000, -0.0002431500000000 ] - [ -0.0003201600000000, -0.0001374400000000, -0.0001784900000000 ] - [ 0.0000184300000000, -0.0000034200000000, -0.0000720100000000 ] - [ -0.0000012900000000, 0.0000026600000000, 0.0000558100000000 ] - [ 0.0000772700000000, -0.0002715200000000, 0.0005759400000000 ] - [ -0.0002714900000000, 0.0000708900000000, 0.0005734500000000 ] - [ 0.0001993100000000, 0.0002011700000000, 0.0005750900000000 ] - [ -0.0001008000000000, 0.0002884600000000, -0.0005704200000000 ] - [ 0.0002837300000000, -0.0000959500000000, -0.0005657500000000 ] - [ -0.0002022400000000, -0.0002015800000000, -0.0005862600000000 ] - [ 0.0002926700000000, -0.0003103500000000, 0.0001239000000000 ] - [ -0.0004171300000000, -0.0001010400000000, 0.0001290200000000 ] - [ 0.0001199000000000, 0.0004147300000000, 0.0001296900000000 ] - [ -0.0003060700000000, 0.0003177100000000, -0.0001203900000000 ] - [ 0.0004254500000000, 0.0001067600000000, -0.0001186500000000 ] - [ -0.0001212800000000, -0.0004268600000000, -0.0001190900000000 ] - [ 0.0000078300000000, 0.0001838800000000, -0.0003585600000000 ] - [ 0.0001498800000000, -0.0001513000000000, -0.0002655300000000 ] - [ -0.0002060400000000, -0.0000174600000000, -0.0002406600000000 ] - [ -0.0000714700000000, -0.0001987600000000, 0.0002807000000000 ] - [ -0.0001404100000000, 0.0001585700000000, 0.0002784700000000 ] - [ 0.0002039800000000, 0.0000307800000000, 0.0002820700000000 ] - [ -0.0000543100000000, -0.0002163500000000, 0.0002686300000000 ] - [ -0.0001570700000000, 0.0001543300000000, 0.0002680100000000 ] - [ 0.0002125200000000, 0.0000611500000000, 0.0002661100000000 ] - [ 0.0000767600000000, 0.0002102000000000, -0.0002678600000000 ] - [ 0.0001425500000000, -0.0001725800000000, -0.0002692800000000 ] - [ -0.0002173100000000, -0.0000357700000000, -0.0002720600000000 ] - [ -0.0008406100000000, 0.0002412700000000, 0.0001109300000000 ] - [ 0.0006263600000000, 0.0006054400000000, 0.0001112400000000 ] - [ 0.0002124700000000, -0.0008452900000000, 0.0001112600000000 ] - [ 0.0008695000000000, -0.0002430200000000, -0.0001121400000000 ] - [ -0.0006386300000000, -0.0006263200000000, -0.0000948800000000 ] - [ -0.0002161300000000, 0.0008656400000000, -0.0001035300000000 ] - [ -0.0000269100000000, -0.0003741600000000, 0.0000210500000000 ] - [ -0.0003136400000000, 0.0002084300000000, 0.0000089200000000 ] - [ 0.0003455200000000, 0.0001720000000000, 0.0000051600000000 ] - [ 0.0000332000000000, 0.0003642100000000, -0.0000058100000000 ] - [ 0.0003009400000000, -0.0002101400000000, -0.0000056500000000 ] - [ -0.0003360700000000, -0.0001555900000000, -0.0000065000000000 ] - [ -0.0002289300000000, 0.0000828300000000, -0.0000782200000000 ] - [ 0.0001226300000000, 0.0001264200000000, -0.0000823800000000 ] - [ 0.0001664500000000, -0.0002111600000000, -0.0000854900000000 ] - [ -0.0000418300000000, 0.0003140300000000, -0.0000237200000000 ] - [ -0.0002088800000000, -0.0001969800000000, 0.0001997300000000 ] - [ 0.0004969900000000, 0.0000989400000000, 0.0002676800000000 ] - [ 0.0009405800000000, -0.0017677900000000, 0.0007536200000000 ] - [ -0.0000701400000000, 0.0011129000000000, -0.0008061600000000 ] - [ -0.0008336500000000, -0.0003977800000000, -0.0005752200000000 ] - [ 0.0008614900000000, 0.0005151000000000, -0.0005987400000000 ] - [ 0.0000579000000000, 0.0009263500000000, 0.0012991300000000 ] - [ -0.0009519200000000, -0.0003637000000000, -0.0002724700000000 ] - [ -0.0006797800000000, -0.0001359800000000, -0.0002789300000000 ] - [ 0.0003753200000000, 0.0006804200000000, -0.0003736600000000 ] - [ 0.0005256900000000, -0.0002202300000000, -0.0001580700000000 ] - [ 0.0004722600000000, -0.0001174000000000, 0.0000282900000000 ] - [ 0.0003661700000000, -0.0006986500000000, 0.0001089700000000 ] - [ 0.0000067600000000, 0.0011265300000000, 0.0005021200000000 ] - [ 0.0000958600000000, 0.0003241300000000, -0.0000489700000000 ] - [ 0.0001139000000000, -0.0004898400000000, -0.0002933400000000 ] - [ 0.0000949100000000, 0.0002084800000000, -0.0002118400000000 ] - [ -0.0001791000000000, 0.0000004400000000, 0.0001132900000000 ] - [ -0.0000540500000000, -0.0006053500000000, 0.0004473300000000 ] - [ 0.0012666600000000, -0.0004179200000000, 0.0000088500000000 ] - [ 0.0001475000000000, -0.0003674900000000, 0.0000889200000000 ] - [ 0.0007230700000000, 0.0009186200000000, -0.0004353200000000 ] - [ -0.0005436300000000, 0.0007796400000000, -0.0000728100000000 ] - [ 0.0000212300000000, 0.0000395600000000, 0.0001450700000000 ] - [ 0.0000213800000000, -0.0000301400000000, 0.0001352200000000 ] - [ -0.0000465100000000, -0.0000035700000000, 0.0001408800000000 ] - [ 0.0000096900000000, -0.0002881800000000, -0.0001283800000000 ] - [ -0.0002557000000000, 0.0001151000000000, -0.0001571900000000 ] - [ 0.0003439900000000, 0.0001882600000000, -0.0001717400000000 ] - [ -0.0000979300000000, 0.0001571500000000, 0.0000397400000000 ] - [ 0.0003579300000000, -0.0002259200000000, 0.0002164300000000 ] - [ -0.0003534900000000, -0.0001445900000000, 0.0002006600000000 ] - [ -0.0010998800000000, -0.0000077400000000, 0.0000893100000000 ] - [ -0.0006590900000000, 0.0001586700000000, -0.0012533200000000 ] - [ 0.0006689400000000, -0.0007302600000000, 0.0004226200000000 ] - [ 0.0006331700000000, 0.0002956800000000, 0.0002435400000000 ] - [ -0.0000626900000000, -0.0006826000000000, 0.0002491400000000 ] - [ -0.0005596700000000, 0.0003944400000000, 0.0002466700000000 ] - [ 0.0001524600000000, 0.0002974100000000, -0.0000613500000000 ] - [ 0.0001166000000000, -0.0001995600000000, -0.0002479700000000 ] - [ -0.0004705600000000, 0.0000811700000000, -0.0001309400000000 ] - [ -0.0001774900000000, -0.0002745300000000, 0.0001659300000000 ] - [ -0.0001710800000000, 0.0003217800000000, 0.0001248600000000 ] - [ 0.0003456600000000, -0.0000340800000000, 0.0001494500000000 ] - [ -0.0000231800000000, 0.0000773900000000, -0.0001519100000000 ] - [ 0.0000807700000000, -0.0000251700000000, -0.0001427500000000 ] - [ -0.0000611500000000, -0.0000676100000000, -0.0001464500000000 ] - [ 0.0002022300000000, -0.0000452500000000, 0.0001032200000000 ] - [ -0.0001120700000000, -0.0001760900000000, 0.0000502700000000 ] - [ -0.0000990600000000, 0.0002374100000000, 0.0000924000000000 ] - [ -0.0000682800000000, -0.0003795500000000, -0.0001459500000000 ] - [ -0.0002903100000000, 0.0002356700000000, -0.0001392900000000 ] - [ 0.0003483600000000, 0.0001267500000000, -0.0001403700000000 ] - [ -0.0000367200000000, 0.0004897600000000, 0.0002073000000000 ] - [ 0.0004338000000000, -0.0002240900000000, 0.0002074200000000 ] - [ -0.0004037300000000, -0.0002644100000000, 0.0002098200000000 ] - [ -0.0006173900000000, 0.0000051300000000, -0.0002151800000000 ] - [ 0.0003159200000000, 0.0005334700000000, -0.0002100200000000 ] - [ 0.0003063600000000, -0.0005469000000000, -0.0002096500000000 ] - [ 0.0006161000000000, 0.0001672300000000, 0.0002768100000000 ] - [ -0.0001972600000000, -0.0006427700000000, 0.0002434600000000 ] - [ -0.0004739900000000, 0.0004642000000000, 0.0002901800000000 ] - [ 0.0002092600000000, 0.0002140100000000, -0.0001889500000000 ] - [ 0.0000779600000000, -0.0002784200000000, -0.0001917900000000 ] - [ -0.0002831100000000, 0.0000738500000000, -0.0001912800000000 ] - [ -0.0002049800000000, -0.0001632900000000, 0.0001927200000000 ] - [ -0.0000360000000000, 0.0002542400000000, 0.0001802300000000 ] - [ 0.0002329700000000, -0.0000853700000000, 0.0001818600000000 ]- atom: 1 displacement: [ -0.0100000000000000, -0.0000000000216584, 0.0000000000000000 ] forces: - [ 0.0102538600000000, 0.0000215900000000, -0.0005368600000000 ] - [ 0.0001226000000000, 0.0000008800000000, 0.0005224400000000 ] - [ -0.0000058500000000, 0.0000232100000000, -0.0001124300000000 ] - [ -0.0001296800000000, -0.0000117300000000, 0.0001101800000000 ] - [ -0.0000086000000000, 0.0000081500000000, -0.0005230900000000 ] - [ -0.0000538700000000, 0.0000004800000000, 0.0005230900000000 ] - [ -0.0000025600000000, -0.0000353800000000, -0.0001107100000000 ] - [ 0.0000042700000000, -0.0000003900000000, 0.0001107800000000 ] - [ -0.0000092200000000, -0.0000093800000000, -0.0005220600000000 ] - [ -0.0000012700000000, 0.0000007800000000, 0.0005221600000000 ] - [ 0.0000012800000000, -0.0000001000000000, -0.0001101100000000 ] - [ -0.0000046900000000, 0.0000000900000000, 0.0001124700000000 ] - [ 0.0003220800000000, 0.0002210000000000, -0.0000594600000000 ] - [ 0.0000660400000000, 0.0000304500000000, 0.0000751100000000 ] - [ 0.0000156500000000, -0.0003020600000000, 0.0005777000000000 ] - [ -0.0002784100000000, 0.0000370300000000, 0.0005978300000000 ] - [ 0.0001997600000000, 0.0002438000000000, 0.0005637900000000 ] - [ -0.0002845100000000, 0.0003036700000000, -0.0006414600000000 ] - [ 0.0004922900000000, -0.0000758000000000, -0.0005380200000000 ] - [ -0.0001576800000000, 0.0001845400000000, -0.0005626300000000 ] - [ -0.0003977100000000, -0.0008491000000000, 0.0001488200000000 ] - [ -0.0024125900000000, 0.0012426800000000, 0.0006177200000000 ] - [ -0.0029600400000000, -0.0003058000000000, -0.0004581200000000 ] - [ -0.0006758100000000, 0.0004671900000000, -0.0000413200000000 ] - [ 0.0002438100000000, -0.0002160600000000, 0.0000275900000000 ] - [ 0.0000213100000000, -0.0003098000000000, -0.0003725100000000 ] - [ -0.0012993800000000, -0.0010844900000000, -0.0019985100000000 ] - [ -0.0003125500000000, 0.0008500400000000, -0.0009752300000000 ] - [ -0.0031434800000000, 0.0006334500000000, 0.0021890200000000 ] - [ -0.0000670700000000, -0.0001806700000000, 0.0003040200000000 ] - [ -0.0001486800000000, 0.0001314600000000, 0.0002918200000000 ] - [ 0.0001933600000000, 0.0000560900000000, 0.0002778300000000 ] - [ -0.0000698700000000, -0.0007220300000000, 0.0001998600000000 ] - [ 0.0005184000000000, 0.0000596300000000, 0.0003898300000000 ] - [ 0.0002117100000000, 0.0002920600000000, 0.0002208100000000 ] - [ -0.0000856800000000, 0.0001282800000000, -0.0002969500000000 ] - [ 0.0005586000000000, -0.0001135200000000, -0.0003676400000000 ] - [ -0.0001960800000000, 0.0003817700000000, -0.0001388400000000 ] - [ -0.0008829000000000, 0.0002853200000000, 0.0001218700000000 ] - [ 0.0006665200000000, 0.0005735400000000, 0.0000995800000000 ] - [ 0.0002986100000000, -0.0008300900000000, 0.0000960000000000 ] - [ 0.0008335200000000, -0.0000780900000000, -0.0001639100000000 ] - [ -0.0006159300000000, -0.0007498700000000, -0.0001831600000000 ] - [ 0.0000620900000000, 0.0008662900000000, 0.0000055900000000 ] - [ 0.0000735000000000, -0.0008097500000000, 0.0000334600000000 ] - [ 0.0000787100000000, 0.0000270500000000, 0.0000756900000000 ] - [ 0.0003482800000000, 0.0000770800000000, -0.0000915700000000 ] - [ 0.0002549600000000, 0.0002943100000000, -0.0003222600000000 ] - [ 0.0005491800000000, 0.0000257900000000, 0.0004105400000000 ] - [ -0.0003811200000000, -0.0000909200000000, -0.0001231100000000 ] - [ 0.0000054700000000, 0.0000021900000000, -0.0000739300000000 ] - [ -0.0004490000000000, 0.0000471100000000, 0.0000734100000000 ] - [ 0.0004633300000000, -0.0001756200000000, 0.0004812100000000 ] - [ -0.0002709800000000, 0.0004146100000000, 0.0006501100000000 ] - [ 0.0002068900000000, 0.0001081800000000, 0.0006184500000000 ] - [ -0.0000816800000000, 0.0002855300000000, -0.0005848800000000 ] - [ 0.0002801400000000, -0.0000797100000000, -0.0005825000000000 ] - [ -0.0002043100000000, -0.0002101800000000, -0.0005815800000000 ] - [ 0.0002934400000000, -0.0003183800000000, 0.0001609100000000 ] - [ -0.0003785200000000, -0.0001188100000000, 0.0000535200000000 ] - [ 0.0001420800000000, 0.0004239400000000, 0.0001624600000000 ] - [ -0.0002310500000000, 0.0002965200000000, -0.0001137400000000 ] - [ 0.0004229100000000, 0.0001367700000000, -0.0001366700000000 ] - [ -0.0001230000000000, -0.0004423100000000, -0.0001266800000000 ] - [ 0.0000715700000000, 0.0001875800000000, -0.0002848100000000 ] - [ 0.0001297200000000, -0.0001562100000000, -0.0002877700000000 ] - [ -0.0001931900000000, -0.0000254900000000, -0.0002867300000000 ] - [ 0.0001295900000000, -0.0001930200000000, 0.0003574600000000 ] - [ -0.0002718600000000, 0.0000606800000000, 0.0002659400000000 ] - [ 0.0003005900000000, -0.0003210600000000, 0.0002349500000000 ] - [ -0.0000387000000000, -0.0001711800000000, 0.0002436100000000 ] - [ -0.0001687900000000, 0.0001401700000000, 0.0002695500000000 ] - [ 0.0001900500000000, 0.0000364200000000, 0.0002920000000000 ] - [ 0.0000088300000000, 0.0002198400000000, -0.0002889600000000 ] - [ 0.0001056400000000, -0.0001499900000000, -0.0002722400000000 ] - [ -0.0001857400000000, -0.0000453100000000, -0.0002440000000000 ] - [ -0.0008632500000000, 0.0001620600000000, 0.0002510800000000 ] - [ 0.0005146200000000, 0.0007982500000000, -0.0000319000000000 ] - [ -0.0000478400000000, -0.0009159600000000, 0.0000966200000000 ] - [ 0.0008647200000000, -0.0002358300000000, -0.0001000500000000 ] - [ -0.0006374800000000, -0.0006239100000000, -0.0001114400000000 ] - [ -0.0002278000000000, 0.0008581000000000, -0.0001045800000000 ] - [ -0.0000379700000000, -0.0003816400000000, 0.0000060400000000 ] - [ -0.0003234700000000, 0.0002193000000000, 0.0000039300000000 ] - [ 0.0003688700000000, 0.0001758200000000, 0.0000038200000000 ] - [ 0.0000945600000000, 0.0003121700000000, -0.0004180100000000 ] - [ 0.0003758500000000, -0.0001915500000000, 0.0002366000000000 ] - [ -0.0003987400000000, -0.0002007800000000, 0.0001692100000000 ] - [ -0.0000152200000000, 0.0000022500000000, -0.0000750500000000 ] - [ 0.0000004100000000, -0.0000030000000000, 0.0000588600000000 ] - [ 0.0000736100000000, -0.0002716700000000, 0.0005804500000000 ] - [ -0.0002732100000000, 0.0000710300000000, 0.0005824400000000 ] - [ 0.0001948200000000, 0.0002018500000000, 0.0005778100000000 ] - [ -0.0000559500000000, 0.0002836800000000, -0.0005839000000000 ] - [ 0.0002879800000000, -0.0000564700000000, -0.0005893700000000 ] - [ -0.0002144700000000, -0.0002183600000000, -0.0005657200000000 ] - [ 0.0003015900000000, -0.0003077200000000, 0.0001331800000000 ] - [ -0.0004140500000000, -0.0001010200000000, 0.0001288000000000 ] - [ 0.0001199500000000, 0.0004079200000000, 0.0001250000000000 ] - [ -0.0003082100000000, 0.0003131900000000, -0.0001200700000000 ] - [ 0.0004273300000000, 0.0001078200000000, -0.0001229500000000 ] - [ -0.0001179000000000, -0.0004225900000000, -0.0001195500000000 ] - [ 0.0000931600000000, 0.0002042400000000, -0.0002196900000000 ] - [ 0.0001339000000000, -0.0001273800000000, -0.0003126100000000 ] - [ -0.0001711500000000, -0.0000781900000000, -0.0003410000000000 ] - [ -0.0000710600000000, -0.0001989000000000, 0.0002820200000000 ] - [ -0.0001325700000000, 0.0001611100000000, 0.0002839300000000 ] - [ 0.0002025600000000, 0.0000335800000000, 0.0002838400000000 ] - [ -0.0000575100000000, -0.0002166800000000, 0.0002646300000000 ] - [ -0.0001610800000000, 0.0001557700000000, 0.0002683500000000 ] - [ 0.0002114500000000, 0.0000630200000000, 0.0002702700000000 ] - [ 0.0000809800000000, 0.0002107000000000, -0.0002700800000000 ] - [ 0.0001417300000000, -0.0001713000000000, -0.0002713100000000 ] - [ -0.0002201200000000, -0.0000410000000000, -0.0002685100000000 ] - [ -0.0008377600000000, 0.0002407100000000, 0.0001133500000000 ] - [ 0.0006284300000000, 0.0006019000000000, 0.0001132500000000 ] - [ 0.0002100800000000, -0.0008431300000000, 0.0001138700000000 ] - [ 0.0008579700000000, -0.0002467200000000, -0.0000971400000000 ] - [ -0.0006441400000000, -0.0006199500000000, -0.0001136800000000 ] - [ -0.0002260300000000, 0.0008673100000000, -0.0001067700000000 ] - [ -0.0000229100000000, -0.0003768700000000, 0.0000011000000000 ] - [ -0.0003182100000000, 0.0002109200000000, 0.0000145200000000 ] - [ 0.0003358400000000, 0.0001665800000000, 0.0000193800000000 ] - [ 0.0000319000000000, 0.0003637700000000, -0.0000053100000000 ] - [ 0.0003001100000000, -0.0002102900000000, -0.0000059300000000 ] - [ -0.0003326700000000, -0.0001576500000000, -0.0000064700000000 ] - [ -0.0002312300000000, -0.0000228700000000, -0.0000908800000000 ] - [ 0.0001490300000000, 0.0002252900000000, -0.0000829200000000 ] - [ 0.0000118000000000, -0.0001963800000000, -0.0000826200000000 ] - [ 0.0000875800000000, -0.0004693400000000, 0.0003255000000000 ] - [ 0.0000448900000000, 0.0002439600000000, 0.0000957200000000 ] - [ -0.0003826400000000, 0.0000422500000000, 0.0000330100000000 ] - [ -0.0008725800000000, 0.0007966100000000, -0.0011747400000000 ] - [ -0.0008020000000000, -0.0006622200000000, 0.0003849000000000 ] - [ 0.0016563900000000, 0.0009248500000000, 0.0001613600000000 ] - [ -0.0007255100000000, 0.0002337200000000, 0.0008830800000000 ] - [ 0.0005155500000000, -0.0014006400000000, -0.0010175300000000 ] - [ 0.0002502400000000, 0.0001114800000000, 0.0005632600000000 ] - [ -0.0005880300000000, -0.0001977500000000, -0.0002643500000000 ] - [ -0.0000272000000000, 0.0005891100000000, -0.0001699300000000 ] - [ 0.0003993900000000, -0.0007200000000000, -0.0003839200000000 ] - [ 0.0007694500000000, 0.0001087300000000, 0.0003987800000000 ] - [ -0.0009956600000000, -0.0003671700000000, 0.0003198500000000 ] - [ -0.0006203500000000, -0.0000361200000000, -0.0000721400000000 ] - [ 0.0003027600000000, -0.0000036900000000, -0.0003219000000000 ] - [ -0.0000375900000000, -0.0000136100000000, -0.0000790500000000 ] - [ -0.0005680800000000, -0.0000299200000000, -0.0001607900000000 ] - [ -0.0002380800000000, -0.0004293100000000, 0.0002684700000000 ] - [ -0.0001006000000000, 0.0011652700000000, -0.0000650700000000 ] - [ -0.0006973700000000, 0.0002654300000000, 0.0003738100000000 ] - [ -0.0001952700000000, 0.0002875400000000, -0.0003724500000000 ] - [ -0.0007791000000000, -0.0008428200000000, 0.0001558700000000 ] - [ 0.0006374900000000, -0.0007844400000000, -0.0002133000000000 ] - [ 0.0000205600000000, 0.0000376600000000, 0.0001418000000000 ] - [ 0.0000314400000000, -0.0000428900000000, 0.0001464800000000 ] - [ -0.0000438900000000, 0.0000059000000000, 0.0001440300000000 ] - [ -0.0000071300000000, -0.0003534600000000, -0.0001769200000000 ] - [ -0.0002973900000000, 0.0001909600000000, -0.0001472900000000 ] - [ 0.0001977100000000, 0.0001625700000000, -0.0001344800000000 ] - [ 0.0000956000000000, 0.0004845300000000, 0.0002656000000000 ] - [ 0.0001944800000000, -0.0000781900000000, 0.0000874400000000 ] - [ -0.0001881400000000, -0.0002063000000000, 0.0001052500000000 ] - [ -0.0001511300000000, -0.0005789500000000, -0.0005873200000000 ] - [ 0.0007819600000000, 0.0012080000000000, 0.0007578300000000 ] - [ 0.0004639000000000, -0.0000599500000000, -0.0009198800000000 ] - [ 0.0006213200000000, 0.0002901400000000, 0.0002518000000000 ] - [ -0.0000602300000000, -0.0006829600000000, 0.0002483400000000 ] - [ -0.0005723400000000, 0.0003986100000000, 0.0002472300000000 ] - [ 0.0002281100000000, 0.0002783800000000, -0.0002346500000000 ] - [ 0.0001901000000000, -0.0004176900000000, -0.0000476000000000 ] - [ -0.0002181900000000, -0.0000412500000000, -0.0001655000000000 ] - [ -0.0002030000000000, -0.0003019400000000, 0.0001295800000000 ] - [ -0.0001354400000000, 0.0002951800000000, 0.0001712700000000 ] - [ 0.0003443300000000, -0.0000061400000000, 0.0001469800000000 ] - [ -0.0000212400000000, 0.0000764300000000, -0.0001484100000000 ] - [ 0.0000837800000000, -0.0000202800000000, -0.0001527200000000 ] - [ -0.0000525600000000, -0.0000722400000000, -0.0001511900000000 ] - [ 0.0002581100000000, -0.0000145600000000, 0.0000663300000000 ] - [ -0.0001595000000000, -0.0001753300000000, 0.0001149000000000 ] - [ -0.0000794500000000, 0.0001701700000000, 0.0000753500000000 ] - [ -0.0000678500000000, -0.0003741500000000, -0.0001374500000000 ] - [ -0.0002859500000000, 0.0002365200000000, -0.0001433400000000 ] - [ 0.0003596000000000, 0.0001247500000000, -0.0001464100000000 ] - [ -0.0000356100000000, 0.0004843900000000, 0.0002089600000000 ] - [ 0.0004311200000000, -0.0002182700000000, 0.0002092600000000 ] - [ -0.0004193700000000, -0.0002588000000000, 0.0002079800000000 ] - [ -0.0006247100000000, 0.0000065000000000, -0.0002101600000000 ] - [ 0.0003114500000000, 0.0005327100000000, -0.0002168400000000 ] - [ 0.0003058000000000, -0.0005393900000000, -0.0002151400000000 ] - [ 0.0006522500000000, 0.0001657600000000, 0.0002668400000000 ] - [ -0.0001511700000000, -0.0006271500000000, 0.0003000700000000 ] - [ -0.0004512600000000, 0.0004749600000000, 0.0002513400000000 ] - [ 0.0002082200000000, 0.0002141200000000, -0.0001932600000000 ] - [ 0.0000772900000000, -0.0002759000000000, -0.0001925400000000 ] - [ -0.0002807000000000, 0.0000731800000000, -0.0001937000000000 ] - [ -0.0001944100000000, -0.0001576800000000, 0.0001785800000000 ] - [ -0.0000394200000000, 0.0002496000000000, 0.0001927800000000 ] - [ 0.0002394700000000, -0.0000949400000000, 0.0001907800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0107264000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010224100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000825900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001622000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004420900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004929600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000830400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001863500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004410700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005985500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000364100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001875900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002724700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000260500000000 ] - [ 0.0000585000000000, -0.0002666200000000, 0.0004780000000000 ] - [ -0.0002601500000000, 0.0000826500000000, 0.0004780000000000 ] - [ 0.0002016500000000, 0.0001839700000000, 0.0004780000000000 ] - [ 0.0001866100000000, -0.0000145800000000, -0.0002628600000000 ] - [ -0.0001059300000000, -0.0001543200000000, -0.0002628600000000 ] - [ -0.0000806800000000, 0.0001689000000000, -0.0002628600000000 ] - [ 0.0004194100000000, -0.0007617700000000, 0.0003659800000000 ] - [ -0.0008694200000000, 0.0000176600000000, 0.0003659800000000 ] - [ 0.0004500100000000, 0.0007441100000000, 0.0003659800000000 ] - [ -0.0004327300000000, -0.0001246700000000, -0.0002156500000000 ] - [ 0.0001084000000000, 0.0004370900000000, -0.0002156500000000 ] - [ 0.0003243300000000, -0.0003124200000000, -0.0002156500000000 ] - [ 0.0019104800000000, 0.0017198400000000, 0.0019109300000000 ] - [ 0.0005341900000000, -0.0025144500000000, 0.0019109300000000 ] - [ -0.0024446700000000, 0.0007946000000000, 0.0019109300000000 ] - [ -0.0000444800000000, -0.0001919300000000, 0.0001885200000000 ] - [ -0.0001439700000000, 0.0001344800000000, 0.0001885200000000 ] - [ 0.0001884500000000, 0.0000574400000000, 0.0001885200000000 ] - [ -0.0000445700000000, -0.0004580700000000, 0.0004042700000000 ] - [ -0.0003744200000000, 0.0002676400000000, 0.0004042700000000 ] - [ 0.0004189900000000, 0.0001904300000000, 0.0004042700000000 ] - [ -0.0000958600000000, 0.0003245100000000, -0.0001143200000000 ] - [ 0.0003289600000000, -0.0000792400000000, -0.0001143200000000 ] - [ -0.0002331100000000, -0.0002452700000000, -0.0001143200000000 ] - [ -0.0008447300000000, 0.0002326900000000, 0.0000262500000000 ] - [ 0.0006238800000000, 0.0006152100000000, 0.0000262500000000 ] - [ 0.0002208500000000, -0.0008479100000000, 0.0000262500000000 ] - [ 0.0006649000000000, -0.0002075900000000, 0.0004182900000000 ] - [ -0.0005122300000000, -0.0004720300000000, 0.0004182900000000 ] - [ -0.0001526800000000, 0.0006796200000000, 0.0004182900000000 ] - [ -0.0002878600000000, -0.0001624500000000, 0.0003408800000000 ] - [ 0.0000032400000000, 0.0003305200000000, 0.0003408800000000 ] - [ 0.0002846200000000, -0.0001680600000000, 0.0003408800000000 ] - [ 0.0001222500000000, 0.0003055000000000, -0.0001375700000000 ] - [ 0.0002034400000000, -0.0002586200000000, -0.0001375700000000 ] - [ -0.0003256900000000, -0.0000468800000000, -0.0001375700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001627500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001820700000000 ] - [ 0.0004271300000000, -0.0001795800000000, 0.0006369600000000 ] - [ -0.0003690900000000, -0.0002801200000000, 0.0006369600000000 ] - [ -0.0000580400000000, 0.0004597000000000, 0.0006369600000000 ] - [ -0.0001074700000000, 0.0003090000000000, -0.0006956800000000 ] - [ 0.0003213400000000, -0.0000614300000000, -0.0006956800000000 ] - [ -0.0002138700000000, -0.0002475700000000, -0.0006956800000000 ] - [ 0.0002709700000000, -0.0002700100000000, 0.0000091900000000 ] - [ -0.0003693300000000, -0.0000996600000000, 0.0000091900000000 ] - [ 0.0000983500000000, 0.0003696800000000, 0.0000091900000000 ] - [ -0.0003151400000000, 0.0003144200000000, -0.0002193800000000 ] - [ 0.0004298700000000, 0.0001157100000000, -0.0002193800000000 ] - [ -0.0001147300000000, -0.0004301300000000, -0.0002193800000000 ] - [ 0.0000825500000000, 0.0001989600000000, -0.0003905800000000 ] - [ 0.0001310300000000, -0.0001709800000000, -0.0003905800000000 ] - [ -0.0002135800000000, -0.0000279900000000, -0.0003905800000000 ] - [ -0.0003872100000000, -0.0001415100000000, 0.0005515300000000 ] - [ 0.0000710500000000, 0.0004060900000000, 0.0005515300000000 ] - [ 0.0003161600000000, -0.0002645700000000, 0.0005515300000000 ] - [ -0.0000159000000000, -0.0001848600000000, 0.0001594200000000 ] - [ -0.0001521500000000, 0.0001062000000000, 0.0001594200000000 ] - [ 0.0001680400000000, 0.0000786700000000, 0.0001594200000000 ] - [ 0.0000820600000000, 0.0002061300000000, -0.0003689400000000 ] - [ 0.0001374800000000, -0.0001741300000000, -0.0003689400000000 ] - [ -0.0002195400000000, -0.0000320000000000, -0.0003689400000000 ] - [ -0.0010286200000000, 0.0002862800000000, -0.0000662000000000 ] - [ 0.0007622400000000, 0.0007476700000000, -0.0000662000000000 ] - [ 0.0002663900000000, -0.0010339500000000, -0.0000662000000000 ] - [ 0.0008708200000000, -0.0002359200000000, -0.0002241000000000 ] - [ -0.0006397200000000, -0.0006361900000000, -0.0002241000000000 ] - [ -0.0002311000000000, 0.0008721100000000, -0.0002241000000000 ] - [ 0.0000120500000000, -0.0003994400000000, -0.0000979600000000 ] - [ -0.0003519500000000, 0.0001892800000000, -0.0000979600000000 ] - [ 0.0003398900000000, 0.0002101600000000, -0.0000979600000000 ] - [ 0.0001553800000000, 0.0003496100000000, -0.0002968400000000 ] - [ 0.0002250800000000, -0.0003093700000000, -0.0002968400000000 ] - [ -0.0003804600000000, -0.0000402400000000, -0.0002968400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001631400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000300400000000 ] - [ 0.0000447200000000, -0.0002460100000000, 0.0004676100000000 ] - [ -0.0002354100000000, 0.0000842800000000, 0.0004676100000000 ] - [ 0.0001906900000000, 0.0001617300000000, 0.0004676100000000 ] - [ -0.0001111600000000, 0.0003092200000000, -0.0006909400000000 ] - [ 0.0003233700000000, -0.0000583400000000, -0.0006909400000000 ] - [ -0.0002122100000000, -0.0002508800000000, -0.0006909400000000 ] - [ 0.0002703500000000, -0.0002803400000000, 0.0000348200000000 ] - [ -0.0003779600000000, -0.0000939600000000, 0.0000348200000000 ] - [ 0.0001076100000000, 0.0003743000000000, 0.0000348200000000 ] - [ -0.0003333200000000, 0.0003409500000000, -0.0002161800000000 ] - [ 0.0004619300000000, 0.0001181900000000, -0.0002161800000000 ] - [ -0.0001286100000000, -0.0004591400000000, -0.0002161800000000 ] - [ 0.0000597800000000, 0.0001855900000000, -0.0004004400000000 ] - [ 0.0001308400000000, -0.0001445600000000, -0.0004004400000000 ] - [ -0.0001906100000000, -0.0000410300000000, -0.0004004400000000 ] - [ -0.0000614100000000, -0.0001830600000000, 0.0001819200000000 ] - [ -0.0001278300000000, 0.0001447100000000, 0.0001819200000000 ] - [ 0.0001892400000000, 0.0000383500000000, 0.0001819200000000 ] - [ -0.0000424900000000, -0.0002085100000000, 0.0001507700000000 ] - [ -0.0001593300000000, 0.0001410500000000, 0.0001507700000000 ] - [ 0.0002018200000000, 0.0000674600000000, 0.0001507700000000 ] - [ 0.0000898200000000, 0.0002178600000000, -0.0003867800000000 ] - [ 0.0001437700000000, -0.0001867200000000, -0.0003867800000000 ] - [ -0.0002335800000000, -0.0000311500000000, -0.0003867800000000 ] - [ -0.0008234700000000, 0.0002390100000000, -0.0000072800000000 ] - [ 0.0006187200000000, 0.0005936400000000, -0.0000072800000000 ] - [ 0.0002047500000000, -0.0008326500000000, -0.0000072800000000 ] - [ 0.0008709300000000, -0.0002475400000000, -0.0002226200000000 ] - [ -0.0006498400000000, -0.0006304700000000, -0.0002226200000000 ] - [ -0.0002210800000000, 0.0008780200000000, -0.0002226200000000 ] - [ 0.0000229600000000, -0.0003840500000000, -0.0000994700000000 ] - [ -0.0003440800000000, 0.0001721400000000, -0.0000994700000000 ] - [ 0.0003211100000000, 0.0002119100000000, -0.0000994700000000 ] - [ 0.0000775300000000, 0.0003589000000000, -0.0001143000000000 ] - [ 0.0002720500000000, -0.0002465900000000, -0.0001143000000000 ] - [ -0.0003495800000000, -0.0001123100000000, -0.0001143000000000 ] - [ -0.0002443900000000, 0.0000449800000000, 0.0000694800000000 ] - [ 0.0001611500000000, 0.0001891600000000, 0.0000694800000000 ] - [ 0.0000832400000000, -0.0002341300000000, 0.0000694800000000 ] - [ 0.0000947900000000, -0.0001918600000000, -0.0003078400000000 ] - [ -0.0002135500000000, 0.0000138400000000, -0.0003078400000000 ] - [ 0.0001187600000000, 0.0001780200000000, -0.0003078400000000 ] - [ 0.0010102600000000, -0.0014053500000000, -0.0001312100000000 ] - [ -0.0017222000000000, -0.0001722400000000, -0.0001312100000000 ] - [ 0.0007119400000000, 0.0015775900000000, -0.0001312100000000 ] - [ -0.0006953700000000, 0.0004481400000000, 0.0006344800000000 ] - [ 0.0007357800000000, 0.0003781400000000, 0.0006344800000000 ] - [ -0.0000404200000000, -0.0008262800000000, 0.0006344800000000 ] - [ -0.0005988800000000, -0.0002151900000000, -0.0001241300000000 ] - [ 0.0001130800000000, 0.0006262400000000, -0.0001241300000000 ] - [ 0.0004858000000000, -0.0004110500000000, -0.0001241300000000 ] - [ 0.0003861200000000, -0.0004420600000000, -0.0005872700000000 ] - [ -0.0005759000000000, -0.0001133600000000, -0.0005872700000000 ] - [ 0.0001897800000000, 0.0005554200000000, -0.0005872700000000 ] - [ 0.0000938000000000, 0.0000698700000000, -0.0001292900000000 ] - [ 0.0000136100000000, -0.0001161700000000, -0.0001292900000000 ] - [ -0.0001074100000000, 0.0000463000000000, -0.0001292900000000 ] - [ -0.0001375200000000, -0.0001608600000000, -0.0003971800000000 ] - [ -0.0000705500000000, 0.0001995300000000, -0.0003971800000000 ] - [ 0.0002080700000000, -0.0000386700000000, -0.0003971800000000 ] - [ 0.0012621600000000, -0.0001430500000000, -0.0002053800000000 ] - [ -0.0007549600000000, -0.0010215400000000, -0.0002053800000000 ] - [ -0.0005071900000000, 0.0011645900000000, -0.0002053800000000 ] - [ 0.0000107700000000, 0.0000645300000000, 0.0002926600000000 ] - [ 0.0000505000000000, -0.0000415900000000, 0.0002926600000000 ] - [ -0.0000612700000000, -0.0000229400000000, 0.0002926600000000 ] - [ 0.0000065500000000, -0.0002626900000000, -0.0000099400000000 ] - [ -0.0002307700000000, 0.0001256700000000, -0.0000099400000000 ] - [ 0.0002242200000000, 0.0001370100000000, -0.0000099400000000 ] - [ 0.0000146400000000, 0.0004024200000000, 0.0003243700000000 ] - [ 0.0003411900000000, -0.0002138900000000, 0.0003243700000000 ] - [ -0.0003558300000000, -0.0001885300000000, 0.0003243700000000 ] - [ -0.0009323800000000, -0.0006587300000000, 0.0005792800000000 ] - [ -0.0001042900000000, 0.0011368300000000, 0.0005792800000000 ] - [ 0.0010366700000000, -0.0004781000000000, 0.0005792800000000 ] - [ 0.0006287000000000, 0.0002852500000000, 0.0003999200000000 ] - [ -0.0000673200000000, -0.0006871000000000, 0.0003999200000000 ] - [ -0.0005613900000000, 0.0004018500000000, 0.0003999200000000 ] - [ 0.0002595800000000, 0.0002405500000000, 0.0000688800000000 ] - [ 0.0000785400000000, -0.0003450800000000, 0.0000688800000000 ] - [ -0.0003381100000000, 0.0001045200000000, 0.0000688800000000 ] - [ -0.0001571600000000, -0.0003125600000000, 0.0003368300000000 ] - [ -0.0001921000000000, 0.0002923900000000, 0.0003368300000000 ] - [ 0.0003492700000000, 0.0000201700000000, 0.0003368300000000 ] - [ -0.0000376700000000, 0.0001049000000000, -0.0000008800000000 ] - [ 0.0001096800000000, -0.0000198200000000, -0.0000008800000000 ] - [ -0.0000720100000000, -0.0000850800000000, -0.0000008800000000 ] - [ 0.0002218200000000, -0.0000030100000000, 0.0002345100000000 ] - [ -0.0001135200000000, -0.0001906000000000, 0.0002345100000000 ] - [ -0.0001083000000000, 0.0001936100000000, 0.0002345100000000 ] - [ -0.0000694600000000, -0.0003497700000000, 0.0000027600000000 ] - [ -0.0002681800000000, 0.0002350400000000, 0.0000027600000000 ] - [ 0.0003376400000000, 0.0001147300000000, 0.0000027600000000 ] - [ -0.0000274500000000, 0.0005069900000000, 0.0003526100000000 ] - [ 0.0004527900000000, -0.0002297200000000, 0.0003526100000000 ] - [ -0.0004253400000000, -0.0002772700000000, 0.0003526100000000 ] - [ -0.0006165200000000, -0.0000008000000000, -0.0000591900000000 ] - [ 0.0003075700000000, 0.0005343200000000, -0.0000591900000000 ] - [ 0.0003089500000000, -0.0005335200000000, -0.0000591900000000 ] - [ 0.0006388100000000, 0.0001641100000000, 0.0004288500000000 ] - [ -0.0001772800000000, -0.0006352800000000, 0.0004288500000000 ] - [ -0.0004615300000000, 0.0004711700000000, 0.0004288500000000 ] - [ 0.0002234600000000, 0.0001968200000000, -0.0000036900000000 ] - [ 0.0000587200000000, -0.0002919300000000, -0.0000036900000000 ] - [ -0.0002821800000000, 0.0000951100000000, -0.0000036900000000 ] - [ -0.0001765200000000, -0.0001703500000000, 0.0003759100000000 ] - [ -0.0000592600000000, 0.0002380500000000, 0.0003759100000000 ] - [ 0.0002357900000000, -0.0000677000000000, 0.0003759100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0095075700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000188800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001470600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003879200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006059400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005549100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001437200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000407300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006049100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004478800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001893400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000421700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003860300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001207800000000 ] - [ 0.0000977900000000, -0.0003053500000000, 0.0006751300000000 ] - [ -0.0003133300000000, 0.0000679900000000, 0.0006751300000000 ] - [ 0.0002155500000000, 0.0002373600000000, 0.0006751300000000 ] - [ -0.0003374700000000, 0.0005568600000000, -0.0008911900000000 ] - [ 0.0006509900000000, 0.0000138200000000, -0.0008911900000000 ] - [ -0.0003135200000000, -0.0005706800000000, -0.0008911900000000 ] - [ 0.0001980600000000, 0.0001476800000000, -0.0001314000000000 ] - [ 0.0000288600000000, -0.0002453600000000, -0.0001314000000000 ] - [ -0.0002269200000000, 0.0000976800000000, -0.0001314000000000 ] - [ -0.0001589200000000, 0.0007471100000000, -0.0000408200000000 ] - [ 0.0007264800000000, -0.0002359200000000, -0.0000408200000000 ] - [ -0.0005675600000000, -0.0005111900000000, -0.0000408200000000 ] - [ -0.0017214100000000, -0.0012704000000000, -0.0024174300000000 ] - [ -0.0002394900000000, 0.0021259800000000, -0.0024174300000000 ] - [ 0.0019609000000000, -0.0008555900000000, -0.0024174300000000 ] - [ -0.0000576200000000, -0.0001901100000000, 0.0003911800000000 ] - [ -0.0001358300000000, 0.0001449600000000, 0.0003911800000000 ] - [ 0.0001934500000000, 0.0000451500000000, 0.0003911800000000 ] - [ -0.0001111800000000, 0.0000389400000000, 0.0001348500000000 ] - [ 0.0000893200000000, 0.0000768200000000, 0.0001348500000000 ] - [ 0.0000218700000000, -0.0001157600000000, 0.0001348500000000 ] - [ 0.0002040600000000, 0.0001059100000000, -0.0004217800000000 ] - [ -0.0000103000000000, -0.0002296800000000, -0.0004217800000000 ] - [ -0.0001937500000000, 0.0001237600000000, -0.0004217800000000 ] - [ -0.0008790600000000, 0.0002539600000000, 0.0001824000000000 ] - [ 0.0006594600000000, 0.0006343100000000, 0.0001824000000000 ] - [ 0.0002196000000000, -0.0008882700000000, 0.0001824000000000 ] - [ 0.0010094200000000, -0.0002737600000000, -0.0006410500000000 ] - [ -0.0007418000000000, -0.0007373100000000, -0.0006410500000000 ] - [ -0.0002676300000000, 0.0010110700000000, -0.0006410500000000 ] - [ 0.0002251700000000, -0.0005681400000000, -0.0003291000000000 ] - [ -0.0006046100000000, 0.0000890700000000, -0.0003291000000000 ] - [ 0.0003794400000000, 0.0004790800000000, -0.0003291000000000 ] - [ -0.0000734400000000, 0.0004510200000000, 0.0001132800000000 ] - [ 0.0004273100000000, -0.0001619100000000, 0.0001132800000000 ] - [ -0.0003538800000000, -0.0002891100000000, 0.0001132800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000179400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003257900000000 ] - [ -0.0002734500000000, -0.0003874300000000, 0.0005232600000000 ] - [ -0.0001988000000000, 0.0004305300000000, 0.0005232600000000 ] - [ 0.0004722500000000, -0.0000431000000000, 0.0005232600000000 ] - [ -0.0000468600000000, 0.0002580700000000, -0.0004642000000000 ] - [ 0.0002469300000000, -0.0000884500000000, -0.0004642000000000 ] - [ -0.0002000700000000, -0.0001696200000000, -0.0004642000000000 ] - [ 0.0003162900000000, -0.0003470300000000, 0.0002408700000000 ] - [ -0.0004586800000000, -0.0001004000000000, 0.0002408700000000 ] - [ 0.0001424000000000, 0.0004474300000000, 0.0002408700000000 ] - [ -0.0002725900000000, 0.0003026700000000, -0.0000310400000000 ] - [ 0.0003984100000000, 0.0000847400000000, -0.0000310400000000 ] - [ -0.0001258200000000, -0.0003874000000000, -0.0000310400000000 ] - [ 0.0000605100000000, 0.0001754800000000, -0.0001795100000000 ] - [ 0.0001217100000000, -0.0001401500000000, -0.0001795100000000 ] - [ -0.0001822300000000, -0.0000353300000000, -0.0001795100000000 ] - [ 0.0002441600000000, -0.0002331700000000, 0.0000185000000000 ] - [ -0.0003240100000000, -0.0000948600000000, 0.0000185000000000 ] - [ 0.0000798500000000, 0.0003280300000000, 0.0000185000000000 ] - [ -0.0000769900000000, -0.0001937400000000, 0.0003769700000000 ] - [ -0.0001292900000000, 0.0001635500000000, 0.0003769700000000 ] - [ 0.0002062800000000, 0.0000301900000000, 0.0003769700000000 ] - [ 0.0000111500000000, 0.0001722700000000, -0.0001677900000000 ] - [ 0.0001436100000000, -0.0000957900000000, -0.0001677900000000 ] - [ -0.0001547600000000, -0.0000764800000000, -0.0001677900000000 ] - [ -0.0006956900000000, 0.0001847200000000, 0.0002739500000000 ] - [ 0.0005078200000000, 0.0005101200000000, 0.0002739500000000 ] - [ 0.0001878700000000, -0.0006948400000000, 0.0002739500000000 ] - [ 0.0008527700000000, -0.0002347600000000, 0.0000156100000000 ] - [ -0.0006296900000000, -0.0006211400000000, 0.0000156100000000 ] - [ -0.0002230800000000, 0.0008559000000000, 0.0000156100000000 ] - [ -0.0000790900000000, -0.0003875900000000, 0.0001069600000000 ] - [ -0.0002961100000000, 0.0002622900000000, 0.0001069600000000 ] - [ 0.0003752000000000, 0.0001253000000000, 0.0001069600000000 ] - [ -0.0000883200000000, 0.0004376500000000, 0.0002889900000000 ] - [ 0.0004231800000000, -0.0001423400000000, 0.0002889900000000 ] - [ -0.0003348600000000, -0.0002953100000000, 0.0002889900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000159300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001443800000000 ] - [ 0.0001064800000000, -0.0002970600000000, 0.0006867100000000 ] - [ -0.0003105100000000, 0.0000563100000000, 0.0006867100000000 ] - [ 0.0002040200000000, 0.0002407500000000, 0.0006867100000000 ] - [ -0.0000434500000000, 0.0002620500000000, -0.0004621200000000 ] - [ 0.0002486700000000, -0.0000934000000000, -0.0004621200000000 ] - [ -0.0002052200000000, -0.0001686500000000, -0.0004621200000000 ] - [ 0.0003216900000000, -0.0003376600000000, 0.0002219100000000 ] - [ -0.0004532700000000, -0.0001097600000000, 0.0002219100000000 ] - [ 0.0001315800000000, 0.0004474200000000, 0.0002219100000000 ] - [ -0.0002812600000000, 0.0002901500000000, -0.0000247400000000 ] - [ 0.0003919100000000, 0.0000985000000000, -0.0000247400000000 ] - [ -0.0001106500000000, -0.0003886500000000, -0.0000247400000000 ] - [ 0.0000418500000000, 0.0001976100000000, -0.0001791700000000 ] - [ 0.0001502100000000, -0.0001350500000000, -0.0001791700000000 ] - [ -0.0001920600000000, -0.0000625600000000, -0.0001791700000000 ] - [ -0.0000819800000000, -0.0002095300000000, 0.0003817400000000 ] - [ -0.0001404700000000, 0.0001757600000000, 0.0003817400000000 ] - [ 0.0002224500000000, 0.0000337700000000, 0.0003817400000000 ] - [ -0.0000662000000000, -0.0002223100000000, 0.0003844300000000 ] - [ -0.0001594300000000, 0.0001684900000000, 0.0003844300000000 ] - [ 0.0002256300000000, 0.0000538300000000, 0.0003844300000000 ] - [ 0.0000657300000000, 0.0002005100000000, -0.0001532300000000 ] - [ 0.0001407800000000, -0.0001571800000000, -0.0001532300000000 ] - [ -0.0002065100000000, -0.0000433300000000, -0.0001532300000000 ] - [ -0.0008520100000000, 0.0002418300000000, 0.0002312300000000 ] - [ 0.0006354300000000, 0.0006169400000000, 0.0002312300000000 ] - [ 0.0002165700000000, -0.0008587700000000, 0.0002312300000000 ] - [ 0.0008528700000000, -0.0002395400000000, 0.0000132100000000 ] - [ -0.0006338900000000, -0.0006188400000000, 0.0000132100000000 ] - [ -0.0002189900000000, 0.0008583800000000, 0.0000132100000000 ] - [ -0.0000712500000000, -0.0003716600000000, 0.0001227000000000 ] - [ -0.0002862400000000, 0.0002475300000000, 0.0001227000000000 ] - [ 0.0003574900000000, 0.0001241300000000, 0.0001227000000000 ] - [ -0.0000134600000000, 0.0003728400000000, 0.0001026500000000 ] - [ 0.0003296200000000, -0.0001747700000000, 0.0001026500000000 ] - [ -0.0003161600000000, -0.0001980700000000, 0.0001026500000000 ] - [ -0.0002023800000000, 0.0000114600000000, -0.0002366600000000 ] - [ 0.0001111100000000, 0.0001695300000000, -0.0002366600000000 ] - [ 0.0000912600000000, -0.0001809900000000, -0.0002366600000000 ] - [ -0.0000448500000000, 0.0000284100000000, 0.0006050700000000 ] - [ 0.0000470300000000, 0.0000246400000000, 0.0006050700000000 ] - [ -0.0000021800000000, -0.0000530500000000, 0.0006050700000000 ] - [ -0.0009629200000000, 0.0004307600000000, -0.0002829700000000 ] - [ 0.0008545100000000, 0.0006185400000000, -0.0002829700000000 ] - [ 0.0001084200000000, -0.0010492900000000, -0.0002829700000000 ] - [ 0.0008297400000000, 0.0002876900000000, -0.0003480600000000 ] - [ -0.0001657200000000, -0.0008624300000000, -0.0003480600000000 ] - [ -0.0006640200000000, 0.0005747300000000, -0.0003480600000000 ] - [ -0.0006746100000000, -0.0001176600000000, -0.0004180600000000 ] - [ 0.0002354100000000, 0.0006430600000000, -0.0004180600000000 ] - [ 0.0004392000000000, -0.0005254000000000, -0.0004180600000000 ] - [ 0.0008563800000000, 0.0004281800000000, 0.0010101400000000 ] - [ -0.0000573800000000, -0.0009557300000000, 0.0010101400000000 ] - [ -0.0007990000000000, 0.0005275500000000, 0.0010101400000000 ] - [ 0.0003022700000000, 0.0002500000000000, -0.0002409500000000 ] - [ 0.0000653700000000, -0.0003867700000000, -0.0002409500000000 ] - [ -0.0003676400000000, 0.0001367800000000, -0.0002409500000000 ] - [ -0.0002708900000000, -0.0002580700000000, 0.0007791200000000 ] - [ -0.0000880500000000, 0.0003636300000000, 0.0007791200000000 ] - [ 0.0003589400000000, -0.0001055600000000, 0.0007791200000000 ] - [ -0.0013018800000000, 0.0000621900000000, -0.0000772600000000 ] - [ 0.0007048000000000, 0.0010963700000000, -0.0000772600000000 ] - [ 0.0005970800000000, -0.0011585600000000, -0.0000772600000000 ] - [ 0.0000306400000000, 0.0000138000000000, -0.0000083500000000 ] - [ -0.0000033700000000, -0.0000334400000000, -0.0000083500000000 ] - [ -0.0000272700000000, 0.0000196400000000, -0.0000083500000000 ] - [ 0.0000102800000000, -0.0003765400000000, -0.0002948000000000 ] - [ -0.0003312300000000, 0.0001793600000000, -0.0002948000000000 ] - [ 0.0003209500000000, 0.0001971800000000, -0.0002948000000000 ] - [ -0.0000317000000000, 0.0002361200000000, -0.0000196300000000 ] - [ 0.0002203400000000, -0.0000906100000000, -0.0000196300000000 ] - [ -0.0001886400000000, -0.0001455100000000, -0.0000196300000000 ] - [ -0.0003179800000000, 0.0000710300000000, -0.0010701200000000 ] - [ 0.0002205000000000, 0.0002398700000000, -0.0010701200000000 ] - [ 0.0000974800000000, -0.0003108900000000, -0.0010701200000000 ] - [ 0.0006228900000000, 0.0002963700000000, 0.0000947800000000 ] - [ -0.0000547800000000, -0.0006876300000000, 0.0000947800000000 ] - [ -0.0005681100000000, 0.0003912500000000, 0.0000947800000000 ] - [ 0.0001204500000000, 0.0003354300000000, -0.0003641500000000 ] - [ 0.0002302700000000, -0.0002720300000000, -0.0003641500000000 ] - [ -0.0003507100000000, -0.0000634000000000, -0.0003641500000000 ] - [ -0.0002229800000000, -0.0002640300000000, -0.0000410400000000 ] - [ -0.0001171700000000, 0.0003251200000000, -0.0000410400000000 ] - [ 0.0003401500000000, -0.0000610900000000, -0.0000410400000000 ] - [ -0.0000122500000000, 0.0000582300000000, -0.0002964500000000 ] - [ 0.0000565600000000, -0.0000185100000000, -0.0002964500000000 ] - [ -0.0000443100000000, -0.0000397300000000, -0.0002964500000000 ] - [ 0.0002246000000000, -0.0000532400000000, -0.0000671900000000 ] - [ -0.0001584000000000, -0.0001678900000000, -0.0000671900000000 ] - [ -0.0000661900000000, 0.0002211300000000, -0.0000671900000000 ] - [ -0.0000621100000000, -0.0003926900000000, -0.0002867000000000 ] - [ -0.0003090200000000, 0.0002501400000000, -0.0002867000000000 ] - [ 0.0003711300000000, 0.0001425500000000, -0.0002867000000000 ] - [ -0.0000265300000000, 0.0004655500000000, 0.0000641100000000 ] - [ 0.0004164400000000, -0.0002098000000000, 0.0000641100000000 ] - [ -0.0003899100000000, -0.0002557500000000, 0.0000641100000000 ] - [ -0.0006265700000000, 0.0000127500000000, -0.0003656300000000 ] - [ 0.0003243300000000, 0.0005362600000000, -0.0003656300000000 ] - [ 0.0003022500000000, -0.0005490000000000, -0.0003656300000000 ] - [ 0.0006349500000000, 0.0001684800000000, 0.0001135500000000 ] - [ -0.0001715700000000, -0.0006341200000000, 0.0001135500000000 ] - [ -0.0004633800000000, 0.0004656500000000, 0.0001135500000000 ] - [ 0.0001862200000000, 0.0002222100000000, -0.0003791200000000 ] - [ 0.0000993300000000, -0.0002723700000000, -0.0003791200000000 ] - [ -0.0002855400000000, 0.0000501700000000, -0.0003791200000000 ] - [ -0.0002199400000000, -0.0001492100000000, -0.0000042300000000 ] - [ -0.0000192500000000, 0.0002650800000000, -0.0000042300000000 ] - [ 0.0002391900000000, -0.0001158700000000, -0.0000042300000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000216584, 0.0000000000000000 ] forces: - [ 0.0000079200000000, 0.0000214500000000, -0.0005258000000000 ] - [ 0.0001288400000000, -0.0000109400000000, 0.0005252800000000 ] - [ -0.0154555800000000, 0.0000809100000000, -0.0000345200000000 ] - [ 0.0000580600000000, 0.0000000200000000, 0.0001152900000000 ] - [ 0.0000001800000000, -0.0000004900000000, -0.0005270300000000 ] - [ -0.0000050500000000, 0.0000008500000000, 0.0005266800000000 ] - [ 0.0000090100000000, -0.0000068000000000, -0.0001155700000000 ] - [ -0.0000003000000000, -0.0000008200000000, 0.0001156200000000 ] - [ 0.0000024700000000, -0.0000368600000000, -0.0005255700000000 ] - [ 0.0000024300000000, 0.0000017300000000, 0.0005257500000000 ] - [ 0.0000097400000000, 0.0000075900000000, -0.0001153000000000 ] - [ -0.0001482000000000, -0.0000008100000000, 0.0001177200000000 ] - [ 0.0001467700000000, -0.0000250500000000, -0.0000557100000000 ] - [ -0.0004127100000000, -0.0001415100000000, 0.0000720200000000 ] - [ 0.0010804300000000, 0.0019278000000000, -0.0002121300000000 ] - [ 0.0039933600000000, -0.0040862600000000, -0.0016279900000000 ] - [ 0.0081712200000000, 0.0020306300000000, 0.0034479000000000 ] - [ -0.0001424300000000, 0.0002879300000000, -0.0005915200000000 ] - [ 0.0002798900000000, -0.0001156500000000, -0.0005674700000000 ] - [ -0.0001749700000000, -0.0001520800000000, -0.0005642300000000 ] - [ -0.0000365000000000, -0.0003949300000000, 0.0001812100000000 ] - [ -0.0004356500000000, -0.0004021900000000, 0.0001082300000000 ] - [ 0.0001355200000000, 0.0005276500000000, 0.0000684100000000 ] - [ -0.0001703700000000, 0.0003660900000000, -0.0000922200000000 ] - [ 0.0000872600000000, 0.0001271200000000, -0.0001760400000000 ] - [ -0.0001970500000000, -0.0007640500000000, -0.0001158200000000 ] - [ 0.0000578800000000, 0.0001702600000000, -0.0002639000000000 ] - [ 0.0001676700000000, -0.0001778100000000, -0.0002777100000000 ] - [ -0.0002052500000000, -0.0000195200000000, -0.0002989200000000 ] - [ 0.0000570400000000, -0.0002244100000000, 0.0003776900000000 ] - [ -0.0004783100000000, 0.0001854800000000, 0.0004059800000000 ] - [ 0.0000101200000000, -0.0003280500000000, 0.0000805200000000 ] - [ 0.0001429200000000, -0.0001175400000000, 0.0009020500000000 ] - [ 0.0002147400000000, -0.0000599100000000, 0.0005824100000000 ] - [ 0.0007752200000000, 0.0000878300000000, -0.0006506100000000 ] - [ -0.0002224400000000, 0.0002564100000000, -0.0003676800000000 ] - [ 0.0003404700000000, -0.0000097600000000, -0.0002567100000000 ] - [ -0.0003498300000000, 0.0004309200000000, -0.0001795600000000 ] - [ -0.0013120200000000, 0.0007733400000000, -0.0000295800000000 ] - [ 0.0000406300000000, 0.0004852500000000, 0.0002560100000000 ] - [ 0.0002783700000000, -0.0008026600000000, 0.0000843200000000 ] - [ 0.0008123100000000, -0.0001537400000000, 0.0002587200000000 ] - [ -0.0006666600000000, -0.0006205600000000, -0.0003388400000000 ] - [ -0.0001583900000000, 0.0008711500000000, -0.0002517700000000 ] - [ -0.0000245700000000, -0.0003064900000000, -0.0000962800000000 ] - [ -0.0001856300000000, 0.0001384100000000, 0.0000849900000000 ] - [ 0.0005103600000000, 0.0002408000000000, 0.0000287500000000 ] - [ -0.0000071400000000, 0.0001555800000000, 0.0000485300000000 ] - [ 0.0002536200000000, -0.0001260600000000, 0.0000758400000000 ] - [ -0.0006546200000000, -0.0002622400000000, -0.0001608700000000 ] - [ -0.0000009300000000, 0.0000006600000000, -0.0000707800000000 ] - [ -0.0000123700000000, -0.0000067800000000, 0.0000707700000000 ] - [ 0.0000770300000000, -0.0002694000000000, 0.0005529100000000 ] - [ -0.0003230200000000, 0.0000916300000000, 0.0006379800000000 ] - [ 0.0001862900000000, 0.0001913700000000, 0.0005407200000000 ] - [ -0.0000770700000000, 0.0002850500000000, -0.0005779200000000 ] - [ 0.0002813500000000, -0.0000750100000000, -0.0005758700000000 ] - [ -0.0002079500000000, -0.0002114500000000, -0.0005775800000000 ] - [ 0.0002958000000000, -0.0003100600000000, 0.0001243900000000 ] - [ -0.0004136400000000, -0.0000981300000000, 0.0001229300000000 ] - [ 0.0001232200000000, 0.0004093800000000, 0.0001249200000000 ] - [ -0.0002915200000000, 0.0003094100000000, -0.0001220700000000 ] - [ 0.0004167200000000, 0.0001011200000000, -0.0001261900000000 ] - [ -0.0001227100000000, -0.0004090500000000, -0.0001239600000000 ] - [ 0.0000732100000000, 0.0001902600000000, -0.0002811900000000 ] - [ 0.0001319700000000, -0.0001549200000000, -0.0002831500000000 ] - [ -0.0001939000000000, -0.0000287000000000, -0.0002858700000000 ] - [ -0.0000366400000000, -0.0002117700000000, 0.0002837400000000 ] - [ -0.0000892100000000, 0.0001636300000000, 0.0002939900000000 ] - [ 0.0002074600000000, 0.0000277100000000, 0.0002724200000000 ] - [ -0.0000490900000000, -0.0001888600000000, 0.0002668200000000 ] - [ -0.0001424500000000, 0.0001318100000000, 0.0002710200000000 ] - [ 0.0001858200000000, 0.0000530500000000, 0.0002667900000000 ] - [ 0.0000470000000000, 0.0001908700000000, -0.0002667100000000 ] - [ 0.0001367200000000, -0.0001363800000000, -0.0002691200000000 ] - [ -0.0001841000000000, -0.0000575200000000, -0.0002687100000000 ] - [ -0.0008593500000000, 0.0002266800000000, 0.0001011000000000 ] - [ 0.0006344200000000, 0.0006379600000000, 0.0001027600000000 ] - [ 0.0002164800000000, -0.0008683700000000, 0.0001051200000000 ] - [ 0.0008652900000000, -0.0002362100000000, -0.0001030100000000 ] - [ -0.0006345800000000, -0.0006278100000000, -0.0001027600000000 ] - [ -0.0002306500000000, 0.0008633800000000, -0.0001031000000000 ] - [ -0.0000350900000000, -0.0003922300000000, 0.0000042400000000 ] - [ -0.0003246500000000, 0.0002259100000000, 0.0000041100000000 ] - [ 0.0003602100000000, 0.0001681400000000, 0.0000054000000000 ] - [ 0.0000334400000000, 0.0003925700000000, -0.0000068700000000 ] - [ 0.0003254700000000, -0.0002266300000000, 0.0000001200000000 ] - [ -0.0003595900000000, -0.0001662400000000, -0.0000069300000000 ] - [ -0.0001053800000000, 0.0000069200000000, -0.0000717900000000 ] - [ 0.0000090500000000, 0.0000002800000000, 0.0000556100000000 ] - [ 0.0000698200000000, -0.0002703100000000, 0.0005700400000000 ] - [ -0.0002732200000000, 0.0000688300000000, 0.0005769300000000 ] - [ 0.0001978700000000, 0.0002059400000000, 0.0005762000000000 ] - [ 0.0003649600000000, 0.0000924200000000, -0.0006681700000000 ] - [ 0.0005381900000000, 0.0002943500000000, -0.0008175100000000 ] - [ -0.0003502500000000, -0.0002869400000000, -0.0002338300000000 ] - [ 0.0003326100000000, -0.0003021000000000, 0.0001237400000000 ] - [ -0.0004194400000000, -0.0000867400000000, 0.0001320300000000 ] - [ 0.0001336600000000, 0.0003895700000000, 0.0001265100000000 ] - [ -0.0003280300000000, 0.0003176900000000, -0.0001070500000000 ] - [ 0.0004228000000000, 0.0000818300000000, -0.0001168400000000 ] - [ -0.0001121600000000, -0.0004226600000000, -0.0001338900000000 ] - [ 0.0000610100000000, 0.0006774500000000, -0.0001392400000000 ] - [ -0.0004834500000000, 0.0000692700000000, -0.0004908000000000 ] - [ -0.0002569400000000, -0.0002541800000000, -0.0002345500000000 ] - [ -0.0000722100000000, -0.0001999500000000, 0.0002805900000000 ] - [ -0.0001362600000000, 0.0001585300000000, 0.0002796400000000 ] - [ 0.0002048900000000, 0.0000348000000000, 0.0002804000000000 ] - [ -0.0000932600000000, -0.0002174300000000, 0.0001754100000000 ] - [ -0.0001481700000000, 0.0001497700000000, 0.0002951800000000 ] - [ 0.0002002300000000, 0.0000996700000000, 0.0003318700000000 ] - [ 0.0001024000000000, 0.0001859400000000, -0.0003029100000000 ] - [ 0.0001578200000000, -0.0001491600000000, -0.0002745300000000 ] - [ -0.0002379300000000, -0.0000449400000000, -0.0002319700000000 ] - [ -0.0008406200000000, 0.0002420500000000, 0.0001228900000000 ] - [ 0.0006319100000000, 0.0006040700000000, 0.0001030000000000 ] - [ 0.0002176200000000, -0.0008410400000000, 0.0001067700000000 ] - [ 0.0006802600000000, -0.0002159900000000, 0.0001656800000000 ] - [ -0.0007739700000000, -0.0008502100000000, -0.0004678000000000 ] - [ -0.0001627300000000, 0.0008139700000000, -0.0000092900000000 ] - [ -0.0000136000000000, -0.0004216300000000, -0.0000267100000000 ] - [ -0.0003369000000000, 0.0002489400000000, 0.0000273000000000 ] - [ 0.0002648100000000, 0.0001369000000000, 0.0000342300000000 ] - [ 0.0000406800000000, 0.0003689600000000, -0.0000153100000000 ] - [ 0.0003076300000000, -0.0002080600000000, 0.0000053900000000 ] - [ -0.0003270600000000, -0.0001527500000000, -0.0000079900000000 ] - [ 0.0006007500000000, -0.0012344600000000, 0.0010087600000000 ] - [ 0.0004867100000000, 0.0009918700000000, -0.0005958400000000 ] - [ -0.0011182200000000, -0.0008402500000000, -0.0006599200000000 ] - [ -0.0000430300000000, -0.0002232600000000, 0.0000462500000000 ] - [ -0.0000111300000000, -0.0000349900000000, 0.0002011500000000 ] - [ -0.0000110800000000, 0.0000823800000000, 0.0001936100000000 ] - [ 0.0000094000000000, -0.0007288800000000, 0.0000260300000000 ] - [ 0.0001457500000000, 0.0009308000000000, -0.0005470600000000 ] - [ -0.0001350000000000, 0.0010201900000000, -0.0001014000000000 ] - [ -0.0000714000000000, 0.0008016200000000, 0.0000249800000000 ] - [ 0.0001703700000000, -0.0005144400000000, 0.0002218500000000 ] - [ 0.0001298200000000, -0.0000338200000000, 0.0001804800000000 ] - [ 0.0005298500000000, -0.0001419100000000, -0.0003802500000000 ] - [ 0.0003469400000000, 0.0008046100000000, -0.0002591600000000 ] - [ 0.0010018000000000, -0.0012271000000000, -0.0001729900000000 ] - [ 0.0004882700000000, 0.0000065000000000, 0.0002272400000000 ] - [ -0.0004074000000000, -0.0004695200000000, 0.0002608300000000 ] - [ -0.0004616600000000, 0.0006176400000000, 0.0001465500000000 ] - [ 0.0014775900000000, -0.0003455600000000, -0.0003049000000000 ] - [ 0.0007472900000000, 0.0006285800000000, 0.0000623200000000 ] - [ -0.0004436000000000, -0.0002193900000000, -0.0003045900000000 ] - [ -0.0002216700000000, -0.0011364800000000, -0.0006115300000000 ] - [ 0.0003751400000000, 0.0000911800000000, 0.0006516400000000 ] - [ -0.0001294700000000, -0.0002257400000000, 0.0005300800000000 ] - [ -0.0000143500000000, 0.0000144000000000, -0.0001119000000000 ] - [ -0.0000120600000000, -0.0000167600000000, -0.0001427600000000 ] - [ 0.0001424200000000, 0.0000090700000000, -0.0001667700000000 ] - [ 0.0000208400000000, 0.0000415300000000, 0.0001416600000000 ] - [ 0.0000261100000000, -0.0000385000000000, 0.0001390100000000 ] - [ -0.0000354600000000, -0.0000022500000000, 0.0001407600000000 ] - [ 0.0000005100000000, -0.0003208500000000, -0.0001545200000000 ] - [ -0.0002782200000000, 0.0001523800000000, -0.0001494800000000 ] - [ 0.0002679100000000, 0.0001765800000000, -0.0001535100000000 ] - [ 0.0000003200000000, 0.0003210400000000, 0.0001551400000000 ] - [ 0.0002738000000000, -0.0001474100000000, 0.0001485600000000 ] - [ -0.0002735000000000, -0.0001788500000000, 0.0001536800000000 ] - [ -0.0006263500000000, -0.0002980600000000, -0.0002347900000000 ] - [ 0.0000761500000000, 0.0006943400000000, -0.0002323400000000 ] - [ 0.0005570200000000, -0.0003839400000000, -0.0002725900000000 ] - [ 0.0006273400000000, 0.0002911300000000, 0.0002469300000000 ] - [ -0.0000616700000000, -0.0006829500000000, 0.0002480100000000 ] - [ -0.0005653400000000, 0.0003978300000000, 0.0002445200000000 ] - [ 0.0001883200000000, 0.0002919600000000, -0.0001426500000000 ] - [ 0.0001603800000000, -0.0003134300000000, -0.0001443500000000 ] - [ -0.0003378800000000, 0.0000282800000000, -0.0001529900000000 ] - [ -0.0001918100000000, -0.0002869900000000, 0.0001478800000000 ] - [ -0.0001513400000000, 0.0003080300000000, 0.0001470800000000 ] - [ 0.0003498000000000, -0.0000176900000000, 0.0001449400000000 ] - [ -0.0000221500000000, 0.0000734500000000, -0.0001531600000000 ] - [ 0.0000820600000000, -0.0000251300000000, -0.0001429000000000 ] - [ -0.0000633000000000, -0.0000694700000000, -0.0001451100000000 ] - [ 0.0011732200000000, -0.0001084100000000, -0.0006432500000000 ] - [ -0.0001671800000000, 0.0011738700000000, 0.0012456100000000 ] - [ -0.0008557200000000, -0.0000022400000000, -0.0003543200000000 ] - [ -0.0000618300000000, -0.0003139700000000, -0.0001236300000000 ] - [ -0.0003153700000000, 0.0001928400000000, -0.0001417100000000 ] - [ 0.0004334100000000, 0.0001089000000000, -0.0001605800000000 ] - [ -0.0000579500000000, 0.0004840900000000, 0.0002173800000000 ] - [ 0.0004527300000000, -0.0002169000000000, 0.0001785500000000 ] - [ -0.0004165500000000, -0.0002268900000000, 0.0002289700000000 ] - [ -0.0006269400000000, 0.0000063600000000, -0.0002108800000000 ] - [ 0.0003050900000000, 0.0005340100000000, -0.0002069900000000 ] - [ 0.0002964200000000, -0.0005471200000000, -0.0002168000000000 ] - [ 0.0009497900000000, 0.0002262000000000, 0.0001200800000000 ] - [ -0.0001090200000000, -0.0005456500000000, 0.0005051700000000 ] - [ -0.0002959900000000, 0.0003302700000000, 0.0001862600000000 ] - [ 0.0002009200000000, 0.0001970100000000, -0.0002219100000000 ] - [ 0.0000629800000000, -0.0002851500000000, -0.0001591900000000 ] - [ -0.0003039000000000, 0.0000561900000000, -0.0001903300000000 ] - [ -0.0000777000000000, -0.0000810600000000, 0.0000174800000000 ] - [ -0.0001499700000000, 0.0004287200000000, 0.0003191300000000 ] - [ 0.0001611800000000, -0.0001654900000000, 0.0002182700000000 ]- atom: 3 displacement: [ -0.0100000000000000, -0.0000000000216584, 0.0000000000000000 ] forces: - [ -0.0000055500000000, -0.0000231100000000, -0.0005226400000000 ] - [ -0.0001283000000000, 0.0000120200000000, 0.0005222100000000 ] - [ 0.0157218500000000, 0.0000798500000000, -0.0000283700000000 ] - [ -0.0000604100000000, 0.0000000100000000, 0.0001109500000000 ] - [ 0.0000005900000000, -0.0000002800000000, -0.0005240300000000 ] - [ 0.0000042800000000, -0.0000000100000000, 0.0005235000000000 ] - [ -0.0000083400000000, 0.0000084400000000, -0.0001113000000000 ] - [ -0.0000004100000000, -0.0000008000000000, 0.0001113600000000 ] - [ -0.0000031400000000, 0.0000354400000000, -0.0005224300000000 ] - [ -0.0000047600000000, -0.0000001700000000, 0.0005227300000000 ] - [ -0.0000075900000000, -0.0000076200000000, -0.0001109900000000 ] - [ 0.0001463800000000, -0.0000007900000000, 0.0001133600000000 ] - [ -0.0001465400000000, 0.0000257100000000, -0.0000587000000000 ] - [ 0.0004088200000000, 0.0001396700000000, 0.0000750000000000 ] - [ -0.0009372300000000, -0.0024941700000000, 0.0013584900000000 ] - [ -0.0045004900000000, 0.0041242200000000, 0.0027106000000000 ] - [ -0.0080292100000000, -0.0016850600000000, -0.0024463700000000 ] - [ -0.0000087800000000, 0.0002552700000000, -0.0005636300000000 ] - [ 0.0002654600000000, -0.0000256900000000, -0.0005874200000000 ] - [ -0.0002193900000000, -0.0002508700000000, -0.0005884400000000 ] - [ 0.0006494100000000, -0.0002369100000000, 0.0000583600000000 ] - [ -0.0004178600000000, 0.0001889200000000, 0.0001332000000000 ] - [ 0.0001053100000000, 0.0003215000000000, 0.0001693900000000 ] - [ -0.0004247900000000, 0.0002529200000000, -0.0001643800000000 ] - [ 0.0007419700000000, 0.0000753900000000, -0.0000831700000000 ] - [ -0.0000432100000000, -0.0000574500000000, -0.0001398300000000 ] - [ 0.0000847200000000, 0.0002276000000000, -0.0002980900000000 ] - [ 0.0001049700000000, -0.0001417900000000, -0.0002840800000000 ] - [ -0.0002013600000000, -0.0000451400000000, -0.0002662200000000 ] - [ -0.0001595300000000, -0.0001630100000000, 0.0001998900000000 ] - [ 0.0001961000000000, 0.0000947400000000, 0.0001715300000000 ] - [ 0.0003672900000000, 0.0004233100000000, 0.0005007800000000 ] - [ -0.0002972200000000, -0.0002977000000000, -0.0003490100000000 ] - [ -0.0005022200000000, 0.0004033900000000, -0.0000426500000000 ] - [ -0.0003572000000000, -0.0000070500000000, 0.0012264400000000 ] - [ 0.0003359800000000, 0.0001758400000000, -0.0001672100000000 ] - [ -0.0000233000000000, -0.0003006800000000, -0.0002796700000000 ] - [ -0.0000734200000000, -0.0005565900000000, -0.0003580500000000 ] - [ -0.0004118900000000, -0.0002861700000000, 0.0002394200000000 ] - [ 0.0012390600000000, 0.0007598400000000, -0.0000459300000000 ] - [ 0.0001649800000000, -0.0009309400000000, 0.0001242500000000 ] - [ 0.0008660700000000, -0.0003285700000000, -0.0004839700000000 ] - [ -0.0005873200000000, -0.0005872400000000, 0.0001164300000000 ] - [ -0.0002647700000000, 0.0008168500000000, 0.0000286200000000 ] - [ -0.0000400800000000, -0.0004216200000000, 0.0001074900000000 ] - [ -0.0004153700000000, 0.0002822800000000, -0.0000733400000000 ] - [ 0.0001581500000000, 0.0000712200000000, -0.0000160500000000 ] - [ 0.0000573400000000, 0.0005948300000000, -0.0000717800000000 ] - [ 0.0003784800000000, -0.0002953000000000, -0.0001003700000000 ] - [ -0.0000279700000000, -0.0000767100000000, 0.0001353000000000 ] - [ 0.0000015600000000, -0.0000004600000000, -0.0000737100000000 ] - [ 0.0000117900000000, 0.0000065600000000, 0.0000736900000000 ] - [ 0.0000781400000000, -0.0002982400000000, 0.0006076000000000 ] - [ -0.0002445900000000, 0.0000586000000000, 0.0005227400000000 ] - [ 0.0002274400000000, 0.0002271100000000, 0.0006177500000000 ] - [ -0.0000786900000000, 0.0002827800000000, -0.0005826300000000 ] - [ 0.0002857600000000, -0.0000757400000000, -0.0005843500000000 ] - [ -0.0002056000000000, -0.0002076800000000, -0.0005807000000000 ] - [ 0.0002932000000000, -0.0003083200000000, 0.0001251600000000 ] - [ -0.0004141400000000, -0.0001001600000000, 0.0001274000000000 ] - [ 0.0001181200000000, 0.0004086700000000, 0.0001228200000000 ] - [ -0.0002975200000000, 0.0003088400000000, -0.0001273000000000 ] - [ 0.0004109400000000, 0.0000970600000000, -0.0001243300000000 ] - [ -0.0001186900000000, -0.0004095500000000, -0.0001240800000000 ] - [ 0.0000691600000000, 0.0001889000000000, -0.0002865400000000 ] - [ 0.0001255300000000, -0.0001555400000000, -0.0002852700000000 ] - [ -0.0001962800000000, -0.0000262400000000, -0.0002862600000000 ] - [ -0.0001056600000000, -0.0001677400000000, 0.0002840600000000 ] - [ -0.0001677700000000, 0.0001466300000000, 0.0002745700000000 ] - [ 0.0001830100000000, 0.0000274900000000, 0.0002994800000000 ] - [ -0.0000464900000000, -0.0001914100000000, 0.0002688800000000 ] - [ -0.0001389300000000, 0.0001379000000000, 0.0002665900000000 ] - [ 0.0001844700000000, 0.0000588800000000, 0.0002700800000000 ] - [ 0.0000484800000000, 0.0001895400000000, -0.0002688900000000 ] - [ 0.0001445400000000, -0.0001333500000000, -0.0002684700000000 ] - [ -0.0001861000000000, -0.0000541300000000, -0.0002682100000000 ] - [ -0.0008683300000000, 0.0002457700000000, 0.0001070800000000 ] - [ 0.0006344800000000, 0.0006165900000000, 0.0001056500000000 ] - [ 0.0002397400000000, -0.0008560300000000, 0.0001033500000000 ] - [ 0.0008623300000000, -0.0002359700000000, -0.0001049800000000 ] - [ -0.0006342300000000, -0.0006268800000000, -0.0001053900000000 ] - [ -0.0002254100000000, 0.0008610500000000, -0.0001053700000000 ] - [ -0.0000329300000000, -0.0003919100000000, 0.0000044400000000 ] - [ -0.0003220000000000, 0.0002243600000000, 0.0000047100000000 ] - [ 0.0003588500000000, 0.0001695600000000, 0.0000052200000000 ] - [ 0.0000345600000000, 0.0003916300000000, -0.0000015700000000 ] - [ 0.0003213700000000, -0.0002236900000000, -0.0000086300000000 ] - [ -0.0003593500000000, -0.0001714700000000, -0.0000038000000000 ] - [ 0.0001087100000000, -0.0000077000000000, -0.0000747800000000 ] - [ -0.0000099200000000, -0.0000006000000000, 0.0000586000000000 ] - [ 0.0000812500000000, -0.0002729700000000, 0.0005854300000000 ] - [ -0.0002716300000000, 0.0000730700000000, 0.0005780700000000 ] - [ 0.0001962800000000, 0.0001972000000000, 0.0005757500000000 ] - [ -0.0005226300000000, 0.0004807900000000, -0.0004837100000000 ] - [ 0.0000308800000000, -0.0004489500000000, -0.0003354500000000 ] - [ -0.0000654300000000, -0.0001341500000000, -0.0009168100000000 ] - [ 0.0002615100000000, -0.0003166100000000, 0.0001327800000000 ] - [ -0.0004123200000000, -0.0001150900000000, 0.0001252300000000 ] - [ 0.0001068000000000, 0.0004334500000000, 0.0001276100000000 ] - [ -0.0002862000000000, 0.0003138200000000, -0.0001329500000000 ] - [ 0.0004305800000000, 0.0001325600000000, -0.0001242300000000 ] - [ -0.0001276400000000, -0.0004270800000000, -0.0001041300000000 ] - [ 0.0000400000000000, -0.0002914400000000, -0.0004392900000000 ] - [ 0.0007654900000000, -0.0003471400000000, -0.0000867100000000 ] - [ -0.0001182200000000, 0.0001581300000000, -0.0003464600000000 ] - [ -0.0000702300000000, -0.0001979300000000, 0.0002814600000000 ] - [ -0.0001368900000000, 0.0001612100000000, 0.0002820800000000 ] - [ 0.0002018400000000, 0.0000298000000000, 0.0002848000000000 ] - [ -0.0000179500000000, -0.0002154000000000, 0.0003580200000000 ] - [ -0.0001700500000000, 0.0001598400000000, 0.0002409100000000 ] - [ 0.0002232500000000, 0.0000248200000000, 0.0002043900000000 ] - [ 0.0000549000000000, 0.0002347500000000, -0.0002351600000000 ] - [ 0.0001263400000000, -0.0001942800000000, -0.0002663500000000 ] - [ -0.0001990100000000, -0.0000321500000000, -0.0003089200000000 ] - [ -0.0008378200000000, 0.0002396600000000, 0.0001009400000000 ] - [ 0.0006225900000000, 0.0006034900000000, 0.0001210500000000 ] - [ 0.0002052100000000, -0.0008472700000000, 0.0001179500000000 ] - [ 0.0010478400000000, -0.0002727400000000, -0.0003757500000000 ] - [ -0.0005076100000000, -0.0003960100000000, 0.0002595900000000 ] - [ -0.0002807600000000, 0.0009193000000000, -0.0002025400000000 ] - [ -0.0000363700000000, -0.0003292800000000, 0.0000489100000000 ] - [ -0.0002949200000000, 0.0001705500000000, -0.0000038600000000 ] - [ 0.0004169000000000, 0.0002016000000000, -0.0000095600000000 ] - [ 0.0000246300000000, 0.0003590500000000, 0.0000040300000000 ] - [ 0.0002932300000000, -0.0002125800000000, -0.0000172600000000 ] - [ -0.0003418200000000, -0.0001603000000000, -0.0000051400000000 ] - [ -0.0010671100000000, 0.0012938300000000, -0.0011813500000000 ] - [ -0.0002231700000000, -0.0006323000000000, 0.0004277900000000 ] - [ 0.0013002000000000, 0.0004348500000000, 0.0004958400000000 ] - [ 0.0000877700000000, 0.0000704900000000, 0.0002542900000000 ] - [ -0.0001534900000000, 0.0000818300000000, 0.0000929600000000 ] - [ 0.0001253500000000, 0.0000574300000000, 0.0001040200000000 ] - [ 0.0000571400000000, -0.0002470600000000, -0.0004391400000000 ] - [ -0.0010120300000000, -0.0004868700000000, 0.0001330400000000 ] - [ 0.0009600500000000, -0.0004987800000000, -0.0003172700000000 ] - [ 0.0002105800000000, -0.0000504500000000, 0.0002591800000000 ] - [ 0.0004057200000000, 0.0000428000000000, 0.0000605200000000 ] - [ -0.0008372100000000, -0.0002142700000000, 0.0001084100000000 ] - [ -0.0017903200000000, -0.0001913900000000, -0.0001643900000000 ] - [ -0.0000001900000000, 0.0004670200000000, -0.0002859400000000 ] - [ -0.0000785900000000, 0.0002930400000000, -0.0003702200000000 ] - [ 0.0007543400000000, -0.0000184900000000, 0.0001983600000000 ] - [ -0.0002199300000000, -0.0005970500000000, 0.0001659100000000 ] - [ -0.0001498100000000, 0.0004684300000000, 0.0002780800000000 ] - [ -0.0010875100000000, 0.0006720600000000, -0.0000605500000000 ] - [ -0.0006709700000000, -0.0011257900000000, -0.0004276900000000 ] - [ -0.0000295500000000, 0.0004033900000000, -0.0000655300000000 ] - [ -0.0001981700000000, 0.0007097700000000, 0.0009948800000000 ] - [ -0.0005337800000000, 0.0004659800000000, -0.0002705000000000 ] - [ 0.0006971000000000, 0.0000793200000000, -0.0001476700000000 ] - [ -0.0000270300000000, -0.0000921900000000, -0.0001745500000000 ] - [ -0.0000411800000000, 0.0000901100000000, -0.0001391300000000 ] - [ -0.0000524300000000, -0.0000112700000000, -0.0001182300000000 ] - [ 0.0000205300000000, 0.0000358800000000, 0.0001451200000000 ] - [ 0.0000269500000000, -0.0000343300000000, 0.0001427000000000 ] - [ -0.0000550500000000, 0.0000043600000000, 0.0001441400000000 ] - [ 0.0000009000000000, -0.0003205900000000, -0.0001507000000000 ] - [ -0.0002742600000000, 0.0001541200000000, -0.0001551700000000 ] - [ 0.0002742800000000, 0.0001732600000000, -0.0001528500000000 ] - [ -0.0000018000000000, 0.0003204200000000, 0.0001500200000000 ] - [ 0.0002785900000000, -0.0001579400000000, 0.0001558700000000 ] - [ -0.0002690600000000, -0.0001709500000000, 0.0001527300000000 ] - [ -0.0006281300000000, -0.0002875000000000, -0.0002608300000000 ] - [ 0.0000469400000000, 0.0006708600000000, -0.0002655600000000 ] - [ 0.0005747400000000, -0.0004091300000000, -0.0002217300000000 ] - [ 0.0006270300000000, 0.0002946200000000, 0.0002486400000000 ] - [ -0.0000612400000000, -0.0006824600000000, 0.0002496700000000 ] - [ -0.0005664600000000, 0.0003951700000000, 0.0002496200000000 ] - [ 0.0001923800000000, 0.0002846400000000, -0.0001523600000000 ] - [ 0.0001465700000000, -0.0003040200000000, -0.0001511700000000 ] - [ -0.0003522400000000, 0.0000118900000000, -0.0001431200000000 ] - [ -0.0001888200000000, -0.0002897100000000, 0.0001471600000000 ] - [ -0.0001554300000000, 0.0003093300000000, 0.0001485100000000 ] - [ 0.0003405600000000, -0.0000225600000000, 0.0001510200000000 ] - [ -0.0000220100000000, 0.0000802600000000, -0.0001469800000000 ] - [ 0.0000822100000000, -0.0000204500000000, -0.0001524600000000 ] - [ -0.0000503100000000, -0.0000701100000000, -0.0001523700000000 ] - [ -0.0007129600000000, 0.0000405200000000, 0.0008120800000000 ] - [ -0.0001122300000000, -0.0015267400000000, -0.0010804600000000 ] - [ 0.0006851500000000, 0.0004094600000000, 0.0005268900000000 ] - [ -0.0000752800000000, -0.0004400200000000, -0.0001599100000000 ] - [ -0.0002603400000000, 0.0002800700000000, -0.0001409900000000 ] - [ 0.0002749500000000, 0.0001417400000000, -0.0001263000000000 ] - [ -0.0000134800000000, 0.0004903400000000, 0.0001989700000000 ] - [ 0.0004118500000000, -0.0002260800000000, 0.0002383300000000 ] - [ -0.0004069300000000, -0.0002955400000000, 0.0001889600000000 ] - [ -0.0006150500000000, 0.0000054300000000, -0.0002145300000000 ] - [ 0.0003224200000000, 0.0005320600000000, -0.0002198400000000 ] - [ 0.0003156100000000, -0.0005390800000000, -0.0002080700000000 ] - [ 0.0003184300000000, 0.0001061900000000, 0.0004242300000000 ] - [ -0.0002399100000000, -0.0007248900000000, 0.0000389200000000 ] - [ -0.0006296400000000, 0.0006090900000000, 0.0003566300000000 ] - [ 0.0002167600000000, 0.0002314900000000, -0.0001595500000000 ] - [ 0.0000924200000000, -0.0002694400000000, -0.0002245900000000 ] - [ -0.0002602600000000, 0.0000909700000000, -0.0001939800000000 ] - [ -0.0003222600000000, -0.0002411100000000, 0.0003539700000000 ] - [ 0.0000739800000000, 0.0000755800000000, 0.0000533200000000 ] - [ 0.0003129900000000, -0.0000142200000000, 0.0001543600000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004959200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002525000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0088215800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001290100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004524000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006020600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000443000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001861300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004973200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006009200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000440600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006935700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001468300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002800100000000 ] - [ -0.0005292400000000, -0.0031452600000000, 0.0016665300000000 ] - [ -0.0024592600000000, 0.0020309700000000, 0.0016665300000000 ] - [ 0.0029885000000000, 0.0011142900000000, 0.0016665300000000 ] - [ -0.0001114100000000, 0.0002799900000000, -0.0006708400000000 ] - [ 0.0002981900000000, -0.0000435100000000, -0.0006708400000000 ] - [ -0.0001867800000000, -0.0002364800000000, -0.0006708400000000 ] - [ 0.0005910200000000, -0.0002389500000000, 0.0002341000000000 ] - [ -0.0005024400000000, -0.0003923600000000, 0.0002341000000000 ] - [ -0.0000885800000000, 0.0006313100000000, 0.0002341000000000 ] - [ -0.0000697700000000, -0.0000194400000000, 0.0000449400000000 ] - [ 0.0000180500000000, 0.0000701400000000, 0.0000449400000000 ] - [ 0.0000517200000000, -0.0000507000000000, 0.0000449400000000 ] - [ 0.0000870700000000, 0.0002085400000000, -0.0003796700000000 ] - [ 0.0001370600000000, -0.0001796700000000, -0.0003796700000000 ] - [ -0.0002241300000000, -0.0000288600000000, -0.0003796700000000 ] - [ -0.0001513800000000, -0.0000489000000000, 0.0003547700000000 ] - [ 0.0000333400000000, 0.0001555500000000, 0.0003547700000000 ] - [ 0.0001180400000000, -0.0001066500000000, 0.0003547700000000 ] - [ 0.0005945300000000, 0.0005270400000000, 0.0017798100000000 ] - [ 0.0001591600000000, -0.0007783900000000, 0.0017798100000000 ] - [ -0.0007536900000000, 0.0002513600000000, 0.0017798100000000 ] - [ -0.0004934200000000, 0.0002828100000000, -0.0000029600000000 ] - [ 0.0004916300000000, 0.0002859100000000, -0.0000029600000000 ] - [ 0.0000017900000000, -0.0005687200000000, -0.0000029600000000 ] - [ -0.0009299600000000, 0.0003538300000000, 0.0004794700000000 ] - [ 0.0007714100000000, 0.0006284500000000, 0.0004794700000000 ] - [ 0.0001585500000000, -0.0009822800000000, 0.0004794700000000 ] - [ 0.0009227900000000, -0.0003250400000000, -0.0003867900000000 ] - [ -0.0007428900000000, -0.0006366400000000, -0.0003867900000000 ] - [ -0.0001799000000000, 0.0009616800000000, -0.0003867900000000 ] - [ -0.0001699300000000, -0.0003568800000000, -0.0000674200000000 ] - [ -0.0002241000000000, 0.0003256000000000, -0.0000674200000000 ] - [ 0.0003940300000000, 0.0000312800000000, -0.0000674200000000 ] - [ -0.0003195100000000, 0.0002911100000000, 0.0004682600000000 ] - [ 0.0004118600000000, 0.0001311500000000, 0.0004682600000000 ] - [ -0.0000923500000000, -0.0004222600000000, 0.0004682600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001547000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000114300000000 ] - [ 0.0000493600000000, -0.0002448900000000, 0.0004491400000000 ] - [ -0.0002367600000000, 0.0000797000000000, 0.0004491400000000 ] - [ 0.0001874000000000, 0.0001651900000000, 0.0004491400000000 ] - [ -0.0001069800000000, 0.0003085300000000, -0.0006843900000000 ] - [ 0.0003206900000000, -0.0000616200000000, -0.0006843900000000 ] - [ -0.0002137100000000, -0.0002469100000000, -0.0006843900000000 ] - [ 0.0002691100000000, -0.0002854200000000, 0.0000350100000000 ] - [ -0.0003817400000000, -0.0000903500000000, 0.0000350100000000 ] - [ 0.0001126200000000, 0.0003757700000000, 0.0000350100000000 ] - [ -0.0003174900000000, 0.0003356300000000, -0.0002136900000000 ] - [ 0.0004494100000000, 0.0001071400000000, -0.0002136900000000 ] - [ -0.0001319200000000, -0.0004427700000000, -0.0002136900000000 ] - [ 0.0000815600000000, 0.0002001800000000, -0.0003811600000000 ] - [ 0.0001325800000000, -0.0001707300000000, -0.0003811600000000 ] - [ -0.0002141400000000, -0.0000294500000000, -0.0003811600000000 ] - [ -0.0000465500000000, -0.0001592200000000, 0.0001865100000000 ] - [ -0.0001146100000000, 0.0001199300000000, 0.0001865100000000 ] - [ 0.0001611700000000, 0.0000392900000000, 0.0001865100000000 ] - [ -0.0000365900000000, -0.0001814400000000, 0.0001563300000000 ] - [ -0.0001388400000000, 0.0001224100000000, 0.0001563300000000 ] - [ 0.0001754300000000, 0.0000590300000000, 0.0001563300000000 ] - [ 0.0000566000000000, 0.0001953700000000, -0.0003790800000000 ] - [ 0.0001408900000000, -0.0001467000000000, -0.0003790800000000 ] - [ -0.0001974900000000, -0.0000486600000000, -0.0003790800000000 ] - [ -0.0008514100000000, 0.0002267000000000, -0.0000108100000000 ] - [ 0.0006220300000000, 0.0006239900000000, -0.0000108100000000 ] - [ 0.0002293700000000, -0.0008506900000000, -0.0000108100000000 ] - [ 0.0008759300000000, -0.0002369600000000, -0.0002174500000000 ] - [ -0.0006431800000000, -0.0006401000000000, -0.0002174500000000 ] - [ -0.0002327600000000, 0.0008770600000000, -0.0002174500000000 ] - [ 0.0000093300000000, -0.0004002100000000, -0.0000984400000000 ] - [ -0.0003512600000000, 0.0001920300000000, -0.0000984400000000 ] - [ 0.0003419300000000, 0.0002081800000000, -0.0000984400000000 ] - [ 0.0000765500000000, 0.0003892500000000, -0.0001028500000000 ] - [ 0.0002988200000000, -0.0002609200000000, -0.0001028500000000 ] - [ -0.0003753700000000, -0.0001283300000000, -0.0001028500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000253800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000287600000000 ] - [ 0.0000457000000000, -0.0002472000000000, 0.0004669900000000 ] - [ -0.0002369300000000, 0.0000840200000000, 0.0004669900000000 ] - [ 0.0001912300000000, 0.0001631700000000, 0.0004669900000000 ] - [ -0.0002625500000000, -0.0001322700000000, -0.0007506600000000 ] - [ 0.0000167200000000, 0.0002935100000000, -0.0007506600000000 ] - [ 0.0002458300000000, -0.0001612400000000, -0.0007506600000000 ] - [ 0.0002758000000000, -0.0002803400000000, 0.0000559500000000 ] - [ -0.0003806800000000, -0.0000986800000000, 0.0000559500000000 ] - [ 0.0001048800000000, 0.0003790100000000, 0.0000559500000000 ] - [ -0.0003370900000000, 0.0003438700000000, -0.0002102800000000 ] - [ 0.0004663400000000, 0.0001199900000000, -0.0002102800000000 ] - [ -0.0001292500000000, -0.0004638600000000, -0.0002102800000000 ] - [ 0.0000517700000000, -0.0000219800000000, -0.0001533600000000 ] - [ -0.0000449200000000, -0.0000338400000000, -0.0001533600000000 ] - [ -0.0000068500000000, 0.0000558200000000, -0.0001533600000000 ] - [ -0.0000609700000000, -0.0001852300000000, 0.0001820000000000 ] - [ -0.0001299300000000, 0.0001454200000000, 0.0001820000000000 ] - [ 0.0001909000000000, 0.0000398100000000, 0.0001820000000000 ] - [ -0.0000405800000000, -0.0002191300000000, 0.0001471300000000 ] - [ -0.0001694800000000, 0.0001447000000000, 0.0001471300000000 ] - [ 0.0002100600000000, 0.0000744200000000, 0.0001471300000000 ] - [ 0.0000765300000000, 0.0002055800000000, -0.0003784400000000 ] - [ 0.0001397800000000, -0.0001690700000000, -0.0003784400000000 ] - [ -0.0002163100000000, -0.0000365100000000, -0.0003784400000000 ] - [ -0.0008265200000000, 0.0002365900000000, -0.0000070500000000 ] - [ 0.0006181500000000, 0.0005974900000000, -0.0000070500000000 ] - [ 0.0002083600000000, -0.0008340800000000, -0.0000070500000000 ] - [ 0.0009245900000000, -0.0002921600000000, -0.0001762700000000 ] - [ -0.0007153100000000, -0.0006546400000000, -0.0001762700000000 ] - [ -0.0002092800000000, 0.0009468000000000, -0.0001762700000000 ] - [ 0.0000058900000000, -0.0003790700000000, -0.0000569200000000 ] - [ -0.0003312300000000, 0.0001844300000000, -0.0000569200000000 ] - [ 0.0003253400000000, 0.0001946300000000, -0.0000569200000000 ] - [ 0.0000726600000000, 0.0003592300000000, -0.0001041700000000 ] - [ 0.0002747700000000, -0.0002425400000000, -0.0001041700000000 ] - [ -0.0003474300000000, -0.0001166900000000, -0.0001041700000000 ] - [ 0.0006676100000000, -0.0006942300000000, 0.0000961100000000 ] - [ -0.0009350300000000, -0.0002310500000000, 0.0000961100000000 ] - [ 0.0002674200000000, 0.0009252800000000, 0.0000961100000000 ] - [ 0.0000311700000000, 0.0000059400000000, 0.0003088100000000 ] - [ -0.0000104400000000, -0.0000299600000000, 0.0003088100000000 ] - [ -0.0000207300000000, 0.0000240200000000, 0.0003088100000000 ] - [ 0.0010624300000000, -0.0005557900000000, -0.0002778500000000 ] - [ -0.0010125500000000, -0.0006421900000000, -0.0002778500000000 ] - [ -0.0000498800000000, 0.0011979900000000, -0.0002778500000000 ] - [ 0.0000290700000000, 0.0002474800000000, -0.0002966300000000 ] - [ 0.0001997900000000, -0.0001489100000000, -0.0002966300000000 ] - [ -0.0002288600000000, -0.0000985600000000, -0.0002966300000000 ] - [ -0.0007951300000000, -0.0000850600000000, -0.0006665800000000 ] - [ 0.0003239000000000, 0.0007311300000000, -0.0006665800000000 ] - [ 0.0004712300000000, -0.0006460700000000, -0.0006665800000000 ] - [ 0.0005893400000000, 0.0000630100000000, 0.0004063200000000 ] - [ -0.0002401000000000, -0.0005418900000000, 0.0004063200000000 ] - [ -0.0003492400000000, 0.0004788800000000, 0.0004063200000000 ] - [ -0.0004572300000000, 0.0006777400000000, -0.0014868900000000 ] - [ 0.0008155500000000, 0.0000571000000000, -0.0014868900000000 ] - [ -0.0003583200000000, -0.0007348400000000, -0.0014868900000000 ] - [ -0.0003623500000000, 0.0004702800000000, 0.0007496600000000 ] - [ 0.0005884500000000, 0.0000786600000000, 0.0007496600000000 ] - [ -0.0002261000000000, -0.0005489400000000, 0.0007496600000000 ] - [ -0.0000222800000000, 0.0000246200000000, 0.0000045200000000 ] - [ 0.0000324600000000, 0.0000069900000000, 0.0000045200000000 ] - [ -0.0000101800000000, -0.0000316000000000, 0.0000045200000000 ] - [ 0.0000081100000000, 0.0000630200000000, 0.0002825100000000 ] - [ 0.0000505200000000, -0.0000385400000000, 0.0002825100000000 ] - [ -0.0000586300000000, -0.0000244900000000, 0.0002825100000000 ] - [ 0.0000076400000000, -0.0003012300000000, -0.0000150600000000 ] - [ -0.0002647000000000, 0.0001440000000000, -0.0000150600000000 ] - [ 0.0002570600000000, 0.0001572300000000, -0.0000150600000000 ] - [ -0.0000117100000000, 0.0003370800000000, 0.0002888500000000 ] - [ 0.0002977700000000, -0.0001584000000000, 0.0002888500000000 ] - [ -0.0002860700000000, -0.0001786800000000, 0.0002888500000000 ] - [ -0.0006153100000000, -0.0002915700000000, -0.0001032600000000 ] - [ 0.0000551400000000, 0.0006786600000000, -0.0001032600000000 ] - [ 0.0005601600000000, -0.0003870800000000, -0.0001032600000000 ] - [ 0.0006313600000000, 0.0002846400000000, 0.0003921900000000 ] - [ -0.0000691800000000, -0.0006890900000000, 0.0003921900000000 ] - [ -0.0005621800000000, 0.0004044500000000, 0.0003921900000000 ] - [ 0.0002068900000000, 0.0002803700000000, 0.0000335300000000 ] - [ 0.0001393700000000, -0.0003193500000000, 0.0000335300000000 ] - [ -0.0003462500000000, 0.0000389800000000, 0.0000335300000000 ] - [ -0.0001732800000000, -0.0002989700000000, 0.0003266100000000 ] - [ -0.0001722800000000, 0.0002995600000000, 0.0003266100000000 ] - [ 0.0003455600000000, -0.0000005800000000, 0.0003266100000000 ] - [ -0.0000349500000000, 0.0001077200000000, -0.0000049200000000 ] - [ 0.0001107600000000, -0.0000235900000000, -0.0000049200000000 ] - [ -0.0000758100000000, -0.0000841300000000, -0.0000049200000000 ] - [ -0.0006076500000000, 0.0001449900000000, 0.0004378800000000 ] - [ 0.0004293900000000, 0.0004537500000000, 0.0004378800000000 ] - [ 0.0001782600000000, -0.0005987400000000, 0.0004378800000000 ] - [ -0.0000775800000000, -0.0003571800000000, -0.0000008400000000 ] - [ -0.0002705400000000, 0.0002457800000000, -0.0000008400000000 ] - [ 0.0003481200000000, 0.0001114000000000, -0.0000008400000000 ] - [ -0.0000236000000000, 0.0005106700000000, 0.0003429500000000 ] - [ 0.0004540500000000, -0.0002349000000000, 0.0003429500000000 ] - [ -0.0004304500000000, -0.0002757700000000, 0.0003429500000000 ] - [ -0.0006174400000000, 0.0000025600000000, -0.0000660500000000 ] - [ 0.0003109400000000, 0.0005334300000000, -0.0000660500000000 ] - [ 0.0003065000000000, -0.0005360000000000, -0.0000660500000000 ] - [ 0.0007475200000000, 0.0001938800000000, 0.0002723800000000 ] - [ -0.0002058500000000, -0.0007443100000000, 0.0002723800000000 ] - [ -0.0005416700000000, 0.0005504300000000, 0.0002723800000000 ] - [ 0.0002254900000000, 0.0002076300000000, -0.0000076500000000 ] - [ 0.0000670700000000, -0.0002990900000000, -0.0000076500000000 ] - [ -0.0002925600000000, 0.0000914600000000, -0.0000076500000000 ] - [ -0.0002154800000000, -0.0001522900000000, 0.0003686600000000 ] - [ -0.0000241500000000, 0.0002627600000000, 0.0003686600000000 ] - [ 0.0002396300000000, -0.0001104700000000, 0.0003686600000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005552500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007975200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0084482700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001017800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006001900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004512300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001868800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000453000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005529000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004502900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001865100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004647200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000352400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001355200000000 ] - [ 0.0006970500000000, 0.0026106400000000, -0.0005189700000000 ] - [ 0.0019123500000000, -0.0019089800000000, -0.0005189700000000 ] - [ -0.0026094100000000, -0.0007016500000000, -0.0005189700000000 ] - [ -0.0000399900000000, 0.0002637600000000, -0.0004779900000000 ] - [ 0.0002484200000000, -0.0000972400000000, -0.0004779900000000 ] - [ -0.0002084200000000, -0.0001665100000000, -0.0004779900000000 ] - [ 0.0000233100000000, -0.0003952800000000, 0.0000047000000000 ] - [ -0.0003539700000000, 0.0001774500000000, 0.0000047000000000 ] - [ 0.0003306700000000, 0.0002178200000000, 0.0000047000000000 ] - [ -0.0005213300000000, 0.0006404100000000, -0.0002991000000000 ] - [ 0.0008152800000000, 0.0001312800000000, -0.0002991000000000 ] - [ -0.0002939400000000, -0.0007716900000000, -0.0002991000000000 ] - [ 0.0000554600000000, 0.0001858900000000, -0.0001809800000000 ] - [ 0.0001332500000000, -0.0001409700000000, -0.0001809800000000 ] - [ -0.0001887100000000, -0.0000449100000000, -0.0001809800000000 ] - [ 0.0000493200000000, -0.0003350100000000, 0.0002207000000000 ] - [ -0.0003147900000000, 0.0001247900000000, 0.0002207000000000 ] - [ 0.0002654700000000, 0.0002102200000000, 0.0002207000000000 ] - [ -0.0007185200000000, -0.0009117300000000, -0.0011941800000000 ] - [ -0.0004303200000000, 0.0010781200000000, -0.0011941800000000 ] - [ 0.0011488400000000, -0.0001663900000000, -0.0011941800000000 ] - [ 0.0005992700000000, 0.0001467000000000, -0.0005318000000000 ] - [ -0.0001725900000000, -0.0005923400000000, -0.0005318000000000 ] - [ -0.0004266900000000, 0.0004456300000000, -0.0005318000000000 ] - [ -0.0007959500000000, 0.0001326900000000, -0.0002720800000000 ] - [ 0.0005128900000000, 0.0006229700000000, -0.0002720800000000 ] - [ 0.0002830600000000, -0.0007556600000000, -0.0002720800000000 ] - [ 0.0007551800000000, -0.0001546600000000, 0.0001650900000000 ] - [ -0.0005115300000000, -0.0005766800000000, 0.0001650900000000 ] - [ -0.0002436500000000, 0.0007313400000000, 0.0001650900000000 ] - [ 0.0001038300000000, -0.0003754300000000, 0.0000789000000000 ] - [ -0.0003770500000000, 0.0000977900000000, 0.0000789000000000 ] - [ 0.0002732100000000, 0.0002776300000000, 0.0000789000000000 ] - [ 0.0003670000000000, 0.0004646600000000, -0.0004897100000000 ] - [ 0.0002189000000000, -0.0005501600000000, -0.0004897100000000 ] - [ -0.0005859000000000, 0.0000855000000000, -0.0004897100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000128800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001528400000000 ] - [ 0.0001047700000000, -0.0003227300000000, 0.0007047600000000 ] - [ -0.0003318800000000, 0.0000706300000000, 0.0007047600000000 ] - [ 0.0002271100000000, 0.0002521000000000, 0.0007047600000000 ] - [ -0.0000474900000000, 0.0002592400000000, -0.0004698800000000 ] - [ 0.0002482500000000, -0.0000884900000000, -0.0004698800000000 ] - [ -0.0002007600000000, -0.0001707500000000, -0.0004698800000000 ] - [ 0.0003177300000000, -0.0003352700000000, 0.0002127000000000 ] - [ -0.0004492100000000, -0.0001075300000000, 0.0002127000000000 ] - [ 0.0001314800000000, 0.0004427900000000, 0.0002127000000000 ] - [ -0.0002694000000000, 0.0002851500000000, -0.0000344600000000 ] - [ 0.0003816500000000, 0.0000907300000000, -0.0000344600000000 ] - [ -0.0001122500000000, -0.0003758800000000, -0.0000344600000000 ] - [ 0.0000605900000000, 0.0001762300000000, -0.0001857000000000 ] - [ 0.0001223300000000, -0.0001405900000000, -0.0001857000000000 ] - [ -0.0001829200000000, -0.0000356400000000, -0.0001857000000000 ] - [ -0.0000954900000000, -0.0002170800000000, 0.0003799000000000 ] - [ -0.0001402500000000, 0.0001912400000000, 0.0003799000000000 ] - [ 0.0002357400000000, 0.0000258500000000, 0.0003799000000000 ] - [ -0.0000560000000000, -0.0001954500000000, 0.0003798000000000 ] - [ -0.0001412700000000, 0.0001462200000000, 0.0003798000000000 ] - [ 0.0001972600000000, 0.0000492300000000, 0.0003798000000000 ] - [ 0.0000360500000000, 0.0001816000000000, -0.0001575200000000 ] - [ 0.0001392500000000, -0.0001220200000000, -0.0001575200000000 ] - [ -0.0001753000000000, -0.0000595800000000, -0.0001575200000000 ] - [ -0.0008747900000000, 0.0002427200000000, 0.0002169600000000 ] - [ 0.0006476000000000, 0.0006362400000000, 0.0002169600000000 ] - [ 0.0002272000000000, -0.0008789500000000, 0.0002169600000000 ] - [ 0.0008503600000000, -0.0002324500000000, 0.0000109500000000 ] - [ -0.0006264900000000, -0.0006202100000000, 0.0000109500000000 ] - [ -0.0002238800000000, 0.0008526600000000, 0.0000109500000000 ] - [ -0.0000778200000000, -0.0003879200000000, 0.0001073800000000 ] - [ -0.0002970400000000, 0.0002613500000000, 0.0001073800000000 ] - [ 0.0003748500000000, 0.0001265700000000, 0.0001073800000000 ] - [ -0.0000079700000000, 0.0003987700000000, 0.0000935500000000 ] - [ 0.0003493300000000, -0.0001924800000000, 0.0000935500000000 ] - [ -0.0003413600000000, -0.0002062900000000, 0.0000935500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001186800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001399700000000 ] - [ 0.0001053700000000, -0.0002964400000000, 0.0006814300000000 ] - [ -0.0003094100000000, 0.0000569700000000, 0.0006814300000000 ] - [ 0.0002040400000000, 0.0002394700000000, 0.0006814300000000 ] - [ 0.0001092100000000, 0.0007084700000000, -0.0003959400000000 ] - [ 0.0005589500000000, -0.0004488100000000, -0.0003959400000000 ] - [ -0.0006681600000000, -0.0002596600000000, -0.0003959400000000 ] - [ 0.0003158200000000, -0.0003415700000000, 0.0001983000000000 ] - [ -0.0004537200000000, -0.0001027200000000, 0.0001983000000000 ] - [ 0.0001379000000000, 0.0004443000000000, 0.0001983000000000 ] - [ -0.0002765800000000, 0.0002908500000000, -0.0000283200000000 ] - [ 0.0003901700000000, 0.0000941100000000, -0.0000283200000000 ] - [ -0.0001135900000000, -0.0003849500000000, -0.0000283200000000 ] - [ 0.0000484600000000, 0.0004057800000000, -0.0004235900000000 ] - [ 0.0003271800000000, -0.0002448600000000, -0.0004235900000000 ] - [ -0.0003756500000000, -0.0001609200000000, -0.0004235900000000 ] - [ -0.0000814000000000, -0.0002093600000000, 0.0003782400000000 ] - [ -0.0001406200000000, 0.0001751800000000, 0.0003782400000000 ] - [ 0.0002220100000000, 0.0000341900000000, 0.0003782400000000 ] - [ -0.0000678900000000, -0.0002100100000000, 0.0003875100000000 ] - [ -0.0001479200000000, 0.0001638000000000, 0.0003875100000000 ] - [ 0.0002158200000000, 0.0000462100000000, 0.0003875100000000 ] - [ 0.0000787500000000, 0.0002114300000000, -0.0001615200000000 ] - [ 0.0001437300000000, -0.0001739200000000, -0.0001615200000000 ] - [ -0.0002224800000000, -0.0000375100000000, -0.0001615200000000 ] - [ -0.0008514200000000, 0.0002430700000000, 0.0002287700000000 ] - [ 0.0006362200000000, 0.0006158200000000, 0.0002287700000000 ] - [ 0.0002152100000000, -0.0008588900000000, 0.0002287700000000 ] - [ 0.0008023300000000, -0.0001927500000000, -0.0000324600000000 ] - [ -0.0005680900000000, -0.0005984600000000, -0.0000324600000000 ] - [ -0.0002342400000000, 0.0007912100000000, -0.0000324600000000 ] - [ -0.0000554700000000, -0.0003776800000000, 0.0000800000000000 ] - [ -0.0002993400000000, 0.0002368800000000, 0.0000800000000000 ] - [ 0.0003548200000000, 0.0001408000000000, 0.0000800000000000 ] - [ -0.0000070300000000, 0.0003733900000000, 0.0000921300000000 ] - [ 0.0003268800000000, -0.0001806100000000, 0.0000921300000000 ] - [ -0.0003198500000000, -0.0001927800000000, 0.0000921300000000 ] - [ -0.0011161500000000, 0.0007484300000000, -0.0002556300000000 ] - [ 0.0012062400000000, 0.0005923900000000, -0.0002556300000000 ] - [ -0.0000900900000000, -0.0013408300000000, -0.0002556300000000 ] - [ 0.0000144700000000, -0.0001707100000000, -0.0000148700000000 ] - [ -0.0001550800000000, 0.0000728300000000, -0.0000148700000000 ] - [ 0.0001406100000000, 0.0000978900000000, -0.0000148700000000 ] - [ -0.0010005400000000, -0.0004178100000000, -0.0001375200000000 ] - [ 0.0001384400000000, 0.0010754000000000, -0.0001375200000000 ] - [ 0.0008621000000000, -0.0006575900000000, -0.0001375200000000 ] - [ 0.0000980700000000, 0.0004948800000000, 0.0005785600000000 ] - [ 0.0003795500000000, -0.0003323700000000, 0.0005785600000000 ] - [ -0.0004776100000000, -0.0001625100000000, 0.0005785600000000 ] - [ -0.0004804000000000, -0.0002448200000000, 0.0001254300000000 ] - [ 0.0000281800000000, 0.0005384500000000, 0.0001254300000000 ] - [ 0.0004522200000000, -0.0002936300000000, 0.0001254300000000 ] - [ 0.0006543900000000, -0.0000762000000000, 0.0000165400000000 ] - [ -0.0003931900000000, -0.0005286200000000, 0.0000165400000000 ] - [ -0.0002612000000000, 0.0006048200000000, 0.0000165400000000 ] - [ 0.0008540000000000, -0.0003539000000000, 0.0011111600000000 ] - [ -0.0007334900000000, -0.0005626300000000, 0.0011111600000000 ] - [ -0.0001205100000000, 0.0009165400000000, 0.0011111600000000 ] - [ -0.0000504600000000, -0.0008904200000000, -0.0003674000000000 ] - [ -0.0007458900000000, 0.0004889100000000, -0.0003674000000000 ] - [ 0.0007963600000000, 0.0004015100000000, -0.0003674000000000 ] - [ -0.0000153400000000, -0.0001016000000000, -0.0002851800000000 ] - [ -0.0000803200000000, 0.0000640800000000, -0.0002851800000000 ] - [ 0.0000956600000000, 0.0000375200000000, -0.0002851800000000 ] - [ 0.0000303400000000, 0.0000139100000000, -0.0000009100000000 ] - [ -0.0000031200000000, -0.0000332300000000, -0.0000009100000000 ] - [ -0.0000272200000000, 0.0000193200000000, -0.0000009100000000 ] - [ 0.0000114700000000, -0.0003379300000000, -0.0002893200000000 ] - [ -0.0002983900000000, 0.0001590300000000, -0.0002893200000000 ] - [ 0.0002869200000000, 0.0001789000000000, -0.0002893200000000 ] - [ -0.0000075300000000, 0.0003019300000000, 0.0000158500000000 ] - [ 0.0002652400000000, -0.0001444500000000, 0.0000158500000000 ] - [ -0.0002577200000000, -0.0001574800000000, 0.0000158500000000 ] - [ -0.0006364700000000, -0.0002880500000000, -0.0003889000000000 ] - [ 0.0000687800000000, 0.0006952200000000, -0.0003889000000000 ] - [ 0.0005676900000000, -0.0004071700000000, -0.0003889000000000 ] - [ 0.0006206000000000, 0.0002950500000000, 0.0001002600000000 ] - [ -0.0000547800000000, -0.0006849800000000, 0.0001002600000000 ] - [ -0.0005658200000000, 0.0003899300000000, 0.0001002600000000 ] - [ 0.0001750000000000, 0.0002973000000000, -0.0003264200000000 ] - [ 0.0001699700000000, -0.0003002000000000, -0.0003264200000000 ] - [ -0.0003449700000000, 0.0000029100000000, -0.0003264200000000 ] - [ -0.0002087300000000, -0.0002788200000000, -0.0000331700000000 ] - [ -0.0001371000000000, 0.0003201800000000, -0.0000331700000000 ] - [ 0.0003458300000000, -0.0000413600000000, -0.0000331700000000 ] - [ -0.0000119800000000, 0.0000568600000000, -0.0002893000000000 ] - [ 0.0000552400000000, -0.0000180600000000, -0.0002893000000000 ] - [ -0.0000432600000000, -0.0000388100000000, -0.0002893000000000 ] - [ 0.0010513000000000, -0.0002116500000000, -0.0002702800000000 ] - [ -0.0007089500000000, -0.0008046300000000, -0.0002702800000000 ] - [ -0.0003423600000000, 0.0010162800000000, -0.0002702800000000 ] - [ -0.0000502700000000, -0.0003854300000000, -0.0002825000000000 ] - [ -0.0003086500000000, 0.0002362500000000, -0.0002825000000000 ] - [ 0.0003589200000000, 0.0001491800000000, -0.0002825000000000 ] - [ -0.0000344000000000, 0.0004620300000000, 0.0000734000000000 ] - [ 0.0004173300000000, -0.0002012200000000, 0.0000734000000000 ] - [ -0.0003829300000000, -0.0002608100000000, 0.0000734000000000 ] - [ -0.0006259800000000, 0.0000112600000000, -0.0003561800000000 ] - [ 0.0003227500000000, 0.0005364900000000, -0.0003561800000000 ] - [ 0.0003032400000000, -0.0005477500000000, -0.0003561800000000 ] - [ 0.0005272900000000, 0.0001367800000000, 0.0002683600000000 ] - [ -0.0001452000000000, -0.0005250400000000, 0.0002683600000000 ] - [ -0.0003821000000000, 0.0003882600000000, 0.0002683600000000 ] - [ 0.0001856600000000, 0.0002122800000000, -0.0003725900000000 ] - [ 0.0000910100000000, -0.0002669300000000, -0.0003725900000000 ] - [ -0.0002766700000000, 0.0000546500000000, -0.0003725900000000 ] - [ -0.0001828300000000, -0.0001697200000000, 0.0000014800000000 ] - [ -0.0000555600000000, 0.0002431900000000, 0.0000014800000000 ] - [ 0.0002383900000000, -0.0000734800000000, 0.0000014800000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000216584, 0.0000000000000000 ] forces: - [ -0.0003213100000000, 0.0002223100000000, -0.0005230600000000 ] - [ -0.0000674000000000, 0.0000307200000000, 0.0005217700000000 ] - [ 0.0001476000000000, 0.0000264600000000, -0.0001123500000000 ] - [ -0.0004115800000000, 0.0001391100000000, 0.0001101700000000 ] - [ 0.0000177800000000, 0.0000024200000000, -0.0005225600000000 ] - [ 0.0004479200000000, 0.0000468700000000, 0.0005238200000000 ] - [ -0.0001065700000000, -0.0000067200000000, -0.0001109800000000 ] - [ -0.0000124700000000, 0.0000058800000000, 0.0001112500000000 ] - [ -0.0000054000000000, 0.0000012900000000, -0.0005216400000000 ] - [ -0.0000020800000000, -0.0000020500000000, 0.0005223100000000 ] - [ -0.0000001900000000, -0.0000005300000000, -0.0001104100000000 ] - [ 0.0000089600000000, -0.0000013200000000, 0.0001129100000000 ] - [ -0.0640056200000000, 0.0005629300000000, -0.0006286300000000 ] - [ 0.0001360400000000, 0.0000007600000000, 0.0000748500000000 ] - [ 0.0000073900000000, -0.0002356600000000, 0.0005126000000000 ] - [ -0.0003005300000000, 0.0000444800000000, 0.0005770100000000 ] - [ 0.0002354000000000, 0.0002674300000000, 0.0006479200000000 ] - [ 0.0010867900000000, 0.0001728000000000, -0.0006223100000000 ] - [ 0.0003254600000000, 0.0004195900000000, -0.0002587100000000 ] - [ -0.0000958500000000, -0.0009655200000000, -0.0008575600000000 ] - [ 0.0009847500000000, -0.0004298200000000, 0.0000539800000000 ] - [ -0.0004422700000000, 0.0001178700000000, 0.0003533800000000 ] - [ 0.0001533900000000, -0.0001230100000000, -0.0000429700000000 ] - [ -0.0004254500000000, 0.0002668100000000, 0.0000113100000000 ] - [ 0.0006336700000000, 0.0000019700000000, -0.0005145100000000 ] - [ -0.0000223600000000, -0.0001814400000000, 0.0001165700000000 ] - [ 0.0008973700000000, 0.0002867700000000, -0.0007095200000000 ] - [ -0.0000145800000000, -0.0000630100000000, -0.0001150100000000 ] - [ 0.0001263900000000, -0.0007791100000000, -0.0000244400000000 ] - [ -0.0000742600000000, -0.0002161900000000, 0.0003107500000000 ] - [ -0.0000927800000000, 0.0001132800000000, 0.0002855200000000 ] - [ 0.0002023400000000, 0.0000839800000000, 0.0002763800000000 ] - [ 0.0005309100000000, 0.0008370400000000, -0.0007451200000000 ] - [ -0.0006287300000000, 0.0000233000000000, 0.0001242800000000 ] - [ 0.0013022900000000, -0.0004559300000000, 0.0014163000000000 ] - [ 0.0004971700000000, 0.0003292100000000, -0.0007642300000000 ] - [ -0.0000767500000000, -0.0001001900000000, -0.0001678700000000 ] - [ -0.0000637900000000, -0.0005626000000000, 0.0001263900000000 ] - [ -0.0007088300000000, 0.0001113900000000, 0.0002905800000000 ] - [ 0.0007966900000000, 0.0006605400000000, -0.0000379200000000 ] - [ 0.0002245300000000, -0.0009126700000000, 0.0000636100000000 ] - [ 0.0067944800000000, -0.0025788600000000, -0.0016316300000000 ] - [ 0.0031020900000000, 0.0029484200000000, 0.0010342800000000 ] - [ -0.0004515500000000, -0.0005587600000000, 0.0002807600000000 ] - [ 0.0053389700000000, -0.0025202300000000, -0.0022843200000000 ] - [ 0.0017829500000000, 0.0027429000000000, 0.0012581400000000 ] - [ -0.0000126200000000, -0.0024461700000000, 0.0010268800000000 ] - [ 0.0001514400000000, 0.0006506500000000, -0.0001228000000000 ] - [ 0.0003293800000000, -0.0003245000000000, -0.0000046400000000 ] - [ 0.0000682800000000, -0.0001878500000000, 0.0000919600000000 ] - [ -0.0000031200000000, 0.0000108900000000, -0.0000741700000000 ] - [ 0.0003484900000000, -0.0000004400000000, 0.0000737600000000 ] - [ -0.0001731900000000, -0.0002418400000000, 0.0006447600000000 ] - [ 0.0000844200000000, 0.0000360800000000, 0.0001566800000000 ] - [ 0.0003341500000000, 0.0007454900000000, 0.0009506100000000 ] - [ -0.0000846400000000, 0.0002828600000000, -0.0005790300000000 ] - [ 0.0002802000000000, -0.0000852000000000, -0.0005799800000000 ] - [ -0.0002033500000000, -0.0002120700000000, -0.0005909200000000 ] - [ 0.0002646000000000, -0.0002784800000000, 0.0001306600000000 ] - [ -0.0004836600000000, -0.0001295700000000, 0.0001709100000000 ] - [ 0.0001194500000000, 0.0003724500000000, 0.0000745900000000 ] - [ -0.0004089600000000, 0.0003398200000000, -0.0002380000000000 ] - [ 0.0004220800000000, 0.0000946100000000, -0.0001736600000000 ] - [ -0.0001391600000000, -0.0002891100000000, 0.0000329700000000 ] - [ 0.0000693300000000, 0.0001919300000000, -0.0002840700000000 ] - [ 0.0001224600000000, -0.0001566200000000, -0.0002870800000000 ] - [ -0.0001938700000000, -0.0000278100000000, -0.0002891200000000 ] - [ 0.0010691800000000, 0.0019220200000000, -0.0012788500000000 ] - [ -0.0007083700000000, -0.0006115500000000, -0.0010211400000000 ] - [ 0.0029577500000000, -0.0007937200000000, 0.0031707300000000 ] - [ -0.0001156000000000, -0.0002454900000000, 0.0002894500000000 ] - [ -0.0000126900000000, 0.0001418400000000, 0.0002966100000000 ] - [ 0.0001635100000000, 0.0002020500000000, 0.0002179100000000 ] - [ 0.0000744900000000, 0.0001112900000000, -0.0002760500000000 ] - [ 0.0002415600000000, -0.0001506300000000, -0.0001885700000000 ] - [ -0.0001783200000000, -0.0000391600000000, -0.0003413400000000 ] - [ -0.0007323400000000, 0.0006266300000000, -0.0001019200000000 ] - [ 0.0005741000000000, 0.0004587000000000, 0.0001127800000000 ] - [ 0.0007404700000000, -0.0009146200000000, 0.0003036600000000 ] - [ 0.0008567300000000, -0.0002226100000000, -0.0001101700000000 ] - [ -0.0006355700000000, -0.0006297200000000, -0.0001051800000000 ] - [ -0.0002146500000000, 0.0008705300000000, -0.0001019000000000 ] - [ -0.0000113500000000, -0.0004018000000000, -0.0000119000000000 ] - [ -0.0002776200000000, 0.0002832500000000, 0.0000764800000000 ] - [ 0.0003320300000000, 0.0002150200000000, -0.0000514900000000 ] - [ 0.0001393700000000, 0.0001567100000000, 0.0000482100000000 ] - [ 0.0006124400000000, -0.0003078400000000, 0.0000153800000000 ] - [ -0.0002926900000000, -0.0001709600000000, -0.0000784800000000 ] - [ -0.0000017800000000, -0.0000113700000000, -0.0000752600000000 ] - [ -0.0000032500000000, -0.0000001500000000, 0.0000585200000000 ] - [ 0.0000806400000000, -0.0002742000000000, 0.0005796000000000 ] - [ -0.0002678600000000, 0.0000756600000000, 0.0005774200000000 ] - [ 0.0001947100000000, 0.0002011400000000, 0.0005825200000000 ] - [ -0.0000935100000000, 0.0002957900000000, -0.0005789400000000 ] - [ 0.0002465100000000, -0.0000842400000000, -0.0005481000000000 ] - [ -0.0002193300000000, -0.0002303400000000, -0.0006128100000000 ] - [ 0.0002961200000000, -0.0003086800000000, 0.0001311700000000 ] - [ -0.0004135700000000, -0.0001028000000000, 0.0001286800000000 ] - [ 0.0001187200000000, 0.0004115000000000, 0.0001263400000000 ] - [ -0.0003052700000000, 0.0003145200000000, -0.0001227000000000 ] - [ 0.0004269800000000, 0.0001104300000000, -0.0001222900000000 ] - [ -0.0001184600000000, -0.0004241500000000, -0.0001187000000000 ] - [ 0.0000695100000000, 0.0001682200000000, -0.0003051700000000 ] - [ 0.0001971500000000, -0.0001401200000000, -0.0002577900000000 ] - [ -0.0001715900000000, -0.0000272400000000, -0.0003111700000000 ] - [ -0.0000656700000000, -0.0001950800000000, 0.0002970400000000 ] - [ -0.0001376000000000, 0.0001649800000000, 0.0002702400000000 ] - [ 0.0002024200000000, 0.0000283400000000, 0.0002815100000000 ] - [ -0.0000534000000000, -0.0002170600000000, 0.0002712200000000 ] - [ -0.0001612400000000, 0.0001561500000000, 0.0002632100000000 ] - [ 0.0002124400000000, 0.0000596100000000, 0.0002676700000000 ] - [ 0.0000780500000000, 0.0002123500000000, -0.0002689000000000 ] - [ 0.0001397900000000, -0.0001747300000000, -0.0002697300000000 ] - [ -0.0002180100000000, -0.0000411000000000, -0.0002724200000000 ] - [ -0.0008393400000000, 0.0002410300000000, 0.0001138700000000 ] - [ 0.0006256300000000, 0.0006011200000000, 0.0001109400000000 ] - [ 0.0002089700000000, -0.0008441300000000, 0.0001144900000000 ] - [ 0.0008679800000000, -0.0002541100000000, -0.0001092200000000 ] - [ -0.0006283700000000, -0.0006043700000000, -0.0000875400000000 ] - [ -0.0002334500000000, 0.0008763700000000, -0.0001219800000000 ] - [ -0.0000255100000000, -0.0003700200000000, 0.0000160700000000 ] - [ -0.0003151900000000, 0.0002071900000000, 0.0000151900000000 ] - [ 0.0003449100000000, 0.0001736000000000, 0.0000030200000000 ] - [ 0.0000318800000000, 0.0003625600000000, -0.0000072500000000 ] - [ 0.0002987300000000, -0.0002097500000000, -0.0000068200000000 ] - [ -0.0003350100000000, -0.0001589700000000, -0.0000049300000000 ] - [ -0.0002673900000000, 0.0000007100000000, -0.0001871800000000 ] - [ 0.0001694800000000, 0.0001413400000000, -0.0000147800000000 ] - [ 0.0000966200000000, -0.0001767900000000, -0.0000526700000000 ] - [ 0.0001546400000000, 0.0014121800000000, 0.0017440300000000 ] - [ -0.0019269800000000, -0.0007220300000000, -0.0003321200000000 ] - [ 0.0011398300000000, -0.0012765800000000, -0.0009702400000000 ] - [ 0.0006872800000000, 0.0009688000000000, 0.0013551100000000 ] - [ -0.0014021200000000, 0.0004648400000000, -0.0009171000000000 ] - [ 0.0013045900000000, -0.0002951200000000, -0.0010668300000000 ] - [ 0.0000930600000000, -0.0000738700000000, -0.0002272400000000 ] - [ 0.0003737500000000, 0.0002736700000000, 0.0001301400000000 ] - [ -0.0011344700000000, -0.0000391900000000, 0.0005228900000000 ] - [ -0.0008309900000000, -0.0001153700000000, -0.0003389500000000 ] - [ 0.0000558000000000, 0.0006763600000000, -0.0002237600000000 ] - [ 0.0003160600000000, -0.0003540800000000, -0.0002538000000000 ] - [ 0.0047926700000000, 0.0019116100000000, 0.0017497200000000 ] - [ 0.0182181300000000, -0.0104030900000000, 0.0135264400000000 ] - [ 0.0204634900000000, 0.0086423100000000, -0.0140554000000000 ] - [ -0.0004190600000000, 0.0005175400000000, -0.0005567300000000 ] - [ -0.0004030000000000, -0.0004719500000000, 0.0001792100000000 ] - [ -0.0002632100000000, 0.0003161600000000, -0.0001844700000000 ] - [ -0.0011702900000000, 0.0015644900000000, -0.0017186800000000 ] - [ -0.0018950600000000, -0.0012297400000000, 0.0019221800000000 ] - [ 0.0017455000000000, -0.0006525700000000, 0.0003775700000000 ] - [ 0.0000099500000000, -0.0010056800000000, -0.0007774100000000 ] - [ 0.0002098300000000, 0.0007419200000000, -0.0001396500000000 ] - [ -0.0012610000000000, 0.0000473000000000, 0.0004783300000000 ] - [ 0.0000183400000000, 0.0000295000000000, 0.0001506500000000 ] - [ 0.0000312800000000, -0.0000342600000000, 0.0001417200000000 ] - [ -0.0000593400000000, 0.0000064600000000, 0.0001408900000000 ] - [ -0.0000623600000000, -0.0002876500000000, -0.0000989000000000 ] - [ -0.0002525300000000, -0.0000720600000000, -0.0002902700000000 ] - [ 0.0004778400000000, 0.0001516700000000, -0.0000674800000000 ] - [ -0.0000433100000000, 0.0003750400000000, -0.0000059600000000 ] - [ 0.0002672100000000, -0.0001526800000000, 0.0002074100000000 ] - [ -0.0002526300000000, -0.0001164800000000, 0.0002581100000000 ] - [ -0.0006072900000000, 0.0000650700000000, -0.0003621600000000 ] - [ -0.0009088100000000, 0.0012607900000000, -0.0007177900000000 ] - [ -0.0001022100000000, -0.0007860500000000, 0.0003347100000000 ] - [ 0.0006565400000000, 0.0002699400000000, 0.0002601600000000 ] - [ -0.0000714300000000, -0.0006911100000000, 0.0002568300000000 ] - [ -0.0005711400000000, 0.0003455500000000, 0.0002306600000000 ] - [ 0.0001778700000000, 0.0002080200000000, 0.0000365700000000 ] - [ 0.0001008800000000, -0.0000100200000000, -0.0000773600000000 ] - [ -0.0007035100000000, 0.0000940400000000, -0.0004039800000000 ] - [ -0.0001633100000000, -0.0003315200000000, 0.0001658100000000 ] - [ -0.0001579700000000, 0.0003307800000000, 0.0001425500000000 ] - [ 0.0002975700000000, -0.0000577200000000, 0.0001406200000000 ] - [ -0.0000148600000000, 0.0000775600000000, -0.0001557700000000 ] - [ 0.0000798300000000, -0.0000113700000000, -0.0001406600000000 ] - [ -0.0000586100000000, -0.0000751900000000, -0.0001537500000000 ] - [ 0.0002397400000000, 0.0000129700000000, 0.0001275600000000 ] - [ -0.0001324100000000, -0.0002629700000000, 0.0000284300000000 ] - [ 0.0000252400000000, 0.0001784600000000, 0.0001015500000000 ] - [ -0.0000722900000000, -0.0003830800000000, -0.0001407600000000 ] - [ -0.0002870600000000, 0.0002408000000000, -0.0001435100000000 ] - [ 0.0003458000000000, 0.0001260400000000, -0.0001411500000000 ] - [ -0.0000331900000000, 0.0004875300000000, 0.0002083700000000 ] - [ 0.0004323800000000, -0.0002218600000000, 0.0002122100000000 ] - [ -0.0004122900000000, -0.0002611200000000, 0.0002068000000000 ] - [ -0.0006176000000000, 0.0000065800000000, -0.0002135800000000 ] - [ 0.0003168900000000, 0.0005349200000000, -0.0002106800000000 ] - [ 0.0003106500000000, -0.0005405400000000, -0.0002155700000000 ] - [ 0.0006115900000000, 0.0001621400000000, 0.0003006500000000 ] - [ -0.0001732600000000, -0.0006404700000000, 0.0002653200000000 ] - [ -0.0004746300000000, 0.0004834200000000, 0.0002534900000000 ] - [ 0.0002091100000000, 0.0002169200000000, -0.0001917200000000 ] - [ 0.0000778400000000, -0.0002757300000000, -0.0001925300000000 ] - [ -0.0002785500000000, 0.0000747900000000, -0.0001926200000000 ] - [ -0.0002022000000000, -0.0001550000000000, 0.0001945600000000 ] - [ -0.0000305000000000, 0.0002415100000000, 0.0001815000000000 ] - [ 0.0002507300000000, -0.0000826900000000, 0.0001878400000000 ]- atom: 13 displacement: [ -0.0100000000000000, -0.0000000000216584, 0.0000000000000000 ] forces: - [ 0.0003226400000000, -0.0002218500000000, -0.0005237400000000 ] - [ 0.0000678200000000, -0.0000286600000000, 0.0005224500000000 ] - [ -0.0001460100000000, -0.0000243300000000, -0.0001124800000000 ] - [ 0.0004104300000000, -0.0001420000000000, 0.0001102500000000 ] - [ -0.0000170200000000, -0.0000031700000000, -0.0005232300000000 ] - [ -0.0004475000000000, -0.0000464900000000, 0.0005245200000000 ] - [ 0.0001072600000000, 0.0000079700000000, -0.0001110500000000 ] - [ 0.0000117300000000, -0.0000074800000000, 0.0001114300000000 ] - [ 0.0000049100000000, -0.0000029300000000, -0.0005223600000000 ] - [ -0.0000002200000000, 0.0000036000000000, 0.0005230000000000 ] - [ 0.0000023400000000, 0.0000005600000000, -0.0001106100000000 ] - [ -0.0000110600000000, -0.0000004100000000, 0.0001130500000000 ] - [ 0.0643333600000000, 0.0005624900000000, -0.0006309700000000 ] - [ -0.0001396800000000, 0.0000008300000000, 0.0000747400000000 ] - [ 0.0001497500000000, -0.0003355500000000, 0.0006459200000000 ] - [ -0.0002711100000000, 0.0001069700000000, 0.0005831500000000 ] - [ 0.0001804300000000, 0.0001512300000000, 0.0005077500000000 ] - [ -0.0012390300000000, 0.0003684600000000, -0.0005362600000000 ] - [ 0.0002197000000000, -0.0005566800000000, -0.0009015800000000 ] - [ -0.0002965500000000, 0.0005666800000000, -0.0002999400000000 ] - [ -0.0003699500000000, -0.0001996300000000, 0.0001883700000000 ] - [ -0.0004092900000000, -0.0003341100000000, -0.0001088500000000 ] - [ 0.0000842100000000, 0.0009683200000000, 0.0002835900000000 ] - [ -0.0001701800000000, 0.0003496200000000, -0.0002673700000000 ] - [ 0.0001958400000000, 0.0002007100000000, 0.0002541800000000 ] - [ -0.0002148900000000, -0.0006415000000000, -0.0003721600000000 ] - [ -0.0007509600000000, 0.0001078900000000, 0.0001459700000000 ] - [ 0.0002832400000000, -0.0002603300000000, -0.0004505600000000 ] - [ -0.0005331600000000, 0.0007181400000000, -0.0005434500000000 ] - [ -0.0000274200000000, -0.0001694100000000, 0.0002697800000000 ] - [ -0.0001884900000000, 0.0001651700000000, 0.0002944000000000 ] - [ 0.0001736700000000, 0.0000099000000000, 0.0003075800000000 ] - [ -0.0006835400000000, -0.0012468800000000, 0.0012700800000000 ] - [ 0.0003424400000000, 0.0003186200000000, 0.0004197700000000 ] - [ -0.0008803300000000, 0.0005432900000000, -0.0008943700000000 ] - [ -0.0003823800000000, 0.0001072700000000, 0.0002268200000000 ] - [ 0.0003964800000000, -0.0002108500000000, -0.0003672700000000 ] - [ -0.0003629600000000, 0.0004420700000000, -0.0006655700000000 ] - [ -0.0010176200000000, 0.0003810400000000, -0.0000809400000000 ] - [ 0.0004853800000000, 0.0005831400000000, 0.0002481000000000 ] - [ 0.0002151600000000, -0.0008185400000000, 0.0001487500000000 ] - [ -0.0052249900000000, 0.0021459400000000, 0.0014289600000000 ] - [ -0.0043282200000000, -0.0041139800000000, -0.0012436600000000 ] - [ 0.0000312800000000, 0.0022459300000000, -0.0005015500000000 ] - [ -0.0053121800000000, 0.0017607800000000, 0.0022625100000000 ] - [ -0.0023978800000000, -0.0023576400000000, -0.0012555500000000 ] - [ 0.0006961100000000, 0.0027464800000000, -0.0010060000000000 ] - [ -0.0001028100000000, 0.0000992300000000, 0.0001005500000000 ] - [ 0.0003026300000000, -0.0000931400000000, -0.0000181100000000 ] - [ -0.0007502600000000, -0.0001503100000000, -0.0001180100000000 ] - [ 0.0000038000000000, -0.0000107100000000, -0.0000740600000000 ] - [ -0.0003489400000000, -0.0000004400000000, 0.0000736600000000 ] - [ 0.0003276500000000, -0.0003239200000000, 0.0005218000000000 ] - [ -0.0006507900000000, 0.0001140200000000, 0.0010138000000000 ] - [ 0.0000782100000000, -0.0003268000000000, 0.0002157200000000 ] - [ -0.0000713200000000, 0.0002843800000000, -0.0005882300000000 ] - [ 0.0002865100000000, -0.0000650200000000, -0.0005867500000000 ] - [ -0.0002094900000000, -0.0002073900000000, -0.0005740200000000 ] - [ 0.0003243600000000, -0.0003369200000000, 0.0001200100000000 ] - [ -0.0003418300000000, -0.0000704100000000, 0.0000805700000000 ] - [ 0.0001193200000000, 0.0004443200000000, 0.0001741600000000 ] - [ -0.0001809600000000, 0.0002761000000000, -0.0000140900000000 ] - [ 0.0004041800000000, 0.0001057900000000, -0.0000797200000000 ] - [ -0.0000998300000000, -0.0005290200000000, -0.0002835400000000 ] - [ 0.0000740900000000, 0.0001852300000000, -0.0002873700000000 ] - [ 0.0001328900000000, -0.0001537600000000, -0.0002851500000000 ] - [ -0.0001949300000000, -0.0000250500000000, -0.0002868200000000 ] - [ -0.0012077000000000, -0.0022981800000000, 0.0018501300000000 ] - [ 0.0004616400000000, 0.0009088600000000, 0.0015881700000000 ] - [ -0.0025668800000000, 0.0008415700000000, -0.0025685900000000 ] - [ 0.0000197200000000, -0.0001364700000000, 0.0002456400000000 ] - [ -0.0002695400000000, 0.0001288100000000, 0.0002405600000000 ] - [ 0.0002080800000000, -0.0000889700000000, 0.0003180500000000 ] - [ 0.0000214700000000, 0.0002703200000000, -0.0002603700000000 ] - [ 0.0000407900000000, -0.0001202400000000, -0.0003494500000000 ] - [ -0.0001933700000000, -0.0000729600000000, -0.0001964700000000 ] - [ -0.0009909100000000, -0.0001505700000000, 0.0003108700000000 ] - [ 0.0006950500000000, 0.0007910400000000, 0.0000969000000000 ] - [ -0.0002891300000000, -0.0008081200000000, -0.0000935900000000 ] - [ 0.0008681900000000, -0.0002507300000000, -0.0001008600000000 ] - [ -0.0006331500000000, -0.0006219200000000, -0.0001063100000000 ] - [ -0.0002389600000000, 0.0008523000000000, -0.0001096900000000 ] - [ -0.0000546000000000, -0.0003813700000000, 0.0000197800000000 ] - [ -0.0003688100000000, 0.0001648100000000, -0.0000679700000000 ] - [ 0.0003851300000000, 0.0001238900000000, 0.0000613700000000 ] - [ -0.0000727500000000, 0.0006264100000000, -0.0000576400000000 ] - [ 0.0000357900000000, -0.0001411200000000, -0.0000244100000000 ] - [ -0.0004248800000000, -0.0001678800000000, 0.0000671400000000 ] - [ 0.0000050500000000, 0.0000102200000000, -0.0000751600000000 ] - [ 0.0000024000000000, -0.0000001700000000, 0.0000584100000000 ] - [ 0.0000699800000000, -0.0002681400000000, 0.0005810900000000 ] - [ -0.0002760200000000, 0.0000659700000000, 0.0005827200000000 ] - [ 0.0001987100000000, 0.0002017500000000, 0.0005748400000000 ] - [ -0.0000641000000000, 0.0002759400000000, -0.0005811000000000 ] - [ 0.0003251600000000, -0.0000675200000000, -0.0006131400000000 ] - [ -0.0001967700000000, -0.0001893900000000, -0.0005448800000000 ] - [ 0.0002982500000000, -0.0003071300000000, 0.0001262600000000 ] - [ -0.0004159600000000, -0.0001007400000000, 0.0001297900000000 ] - [ 0.0001190200000000, 0.0004101300000000, 0.0001288300000000 ] - [ -0.0003097900000000, 0.0003145900000000, -0.0001194900000000 ] - [ 0.0004246700000000, 0.0001058700000000, -0.0001210500000000 ] - [ -0.0001187600000000, -0.0004249000000000, -0.0001217900000000 ] - [ 0.0000322500000000, 0.0002183300000000, -0.0002763700000000 ] - [ 0.0000844400000000, -0.0001385200000000, -0.0003234600000000 ] - [ -0.0002048300000000, -0.0000668000000000, -0.0002734200000000 ] - [ -0.0000775900000000, -0.0002008200000000, 0.0002676500000000 ] - [ -0.0001335400000000, 0.0001545400000000, 0.0002939600000000 ] - [ 0.0002028300000000, 0.0000342200000000, 0.0002862100000000 ] - [ -0.0000581100000000, -0.0002172600000000, 0.0002615600000000 ] - [ -0.0001583300000000, 0.0001543000000000, 0.0002726200000000 ] - [ 0.0002125200000000, 0.0000657100000000, 0.0002682400000000 ] - [ 0.0000795800000000, 0.0002097900000000, -0.0002701400000000 ] - [ 0.0001459800000000, -0.0001695800000000, -0.0002719300000000 ] - [ -0.0002204200000000, -0.0000364200000000, -0.0002692300000000 ] - [ -0.0008362100000000, 0.0002420200000000, 0.0001117300000000 ] - [ 0.0006287100000000, 0.0006032000000000, 0.0001150600000000 ] - [ 0.0002112900000000, -0.0008423300000000, 0.0001120900000000 ] - [ 0.0008568800000000, -0.0002366700000000, -0.0001032100000000 ] - [ -0.0006538900000000, -0.0006393200000000, -0.0001238500000000 ] - [ -0.0002064600000000, 0.0008549200000000, -0.0000913800000000 ] - [ -0.0000226200000000, -0.0003798900000000, 0.0000056200000000 ] - [ -0.0003165700000000, 0.0002101700000000, 0.0000078200000000 ] - [ 0.0003347200000000, 0.0001659400000000, 0.0000208500000000 ] - [ 0.0000321300000000, 0.0003642700000000, -0.0000048300000000 ] - [ 0.0003019900000000, -0.0002092400000000, -0.0000055600000000 ] - [ -0.0003323100000000, -0.0001547000000000, -0.0000087600000000 ] - [ -0.0001956900000000, 0.0000575600000000, 0.0000163600000000 ] - [ 0.0001022100000000, 0.0002143300000000, -0.0001529600000000 ] - [ 0.0000851300000000, -0.0002325200000000, -0.0001176600000000 ] - [ -0.0001209700000000, -0.0015727700000000, -0.0014532800000000 ] - [ 0.0017638800000000, 0.0007683100000000, 0.0006238400000000 ] - [ -0.0010287200000000, 0.0014113200000000, 0.0012711400000000 ] - [ -0.0006111400000000, -0.0019352200000000, -0.0017680700000000 ] - [ 0.0005375600000000, -0.0000146800000000, 0.0004979300000000 ] - [ -0.0004741100000000, 0.0008166000000000, 0.0006409700000000 ] - [ 0.0000469300000000, 0.0008289600000000, 0.0005097600000000 ] - [ 0.0001971800000000, -0.0007495500000000, 0.0001500800000000 ] - [ 0.0004221100000000, -0.0002113500000000, -0.0002336800000000 ] - [ -0.0004365600000000, -0.0002204800000000, -0.0002056300000000 ] - [ 0.0002911600000000, 0.0005934300000000, -0.0003223000000000 ] - [ 0.0006112900000000, -0.0005849400000000, -0.0002903500000000 ] - [ -0.0035822300000000, -0.0019902500000000, -0.0013490200000000 ] - [ -0.0182616400000000, 0.0087846600000000, -0.0125762200000000 ] - [ -0.0219603600000000, -0.0080616400000000, 0.0151504900000000 ] - [ 0.0008223500000000, -0.0002023900000000, 0.0001832100000000 ] - [ 0.0004779200000000, -0.0000308100000000, -0.0005547100000000 ] - [ -0.0002077400000000, -0.0001357700000000, -0.0001900400000000 ] - [ 0.0007580000000000, -0.0020150100000000, 0.0021073700000000 ] - [ 0.0017219700000000, 0.0017720300000000, -0.0015327100000000 ] - [ -0.0011814500000000, 0.0005211300000000, 0.0000058200000000 ] - [ -0.0000539600000000, 0.0009206300000000, 0.0004833300000000 ] - [ -0.0002617000000000, -0.0006654000000000, -0.0001467400000000 ] - [ 0.0013586500000000, -0.0000464600000000, -0.0007753700000000 ] - [ 0.0000268800000000, 0.0000500500000000, 0.0001408500000000 ] - [ 0.0000219700000000, -0.0000427400000000, 0.0001441300000000 ] - [ -0.0000349200000000, -0.0000022100000000, 0.0001485600000000 ] - [ 0.0000609000000000, -0.0003543900000000, -0.0002053500000000 ] - [ -0.0002994700000000, 0.0003800400000000, -0.0000137700000000 ] - [ 0.0000665100000000, 0.0001963800000000, -0.0002378900000000 ] - [ 0.0000443800000000, 0.0002671400000000, 0.0003120100000000 ] - [ 0.0002844700000000, -0.0001549500000000, 0.0000980700000000 ] - [ -0.0002915700000000, -0.0002317700000000, 0.0000497900000000 ] - [ -0.0006459900000000, -0.0006481000000000, -0.0001345200000000 ] - [ 0.0010304600000000, 0.0001048800000000, 0.0002180000000000 ] - [ 0.0012308600000000, -0.0000064700000000, -0.0008306200000000 ] - [ 0.0005974800000000, 0.0003176600000000, 0.0002388300000000 ] - [ -0.0000498900000000, -0.0006750100000000, 0.0002441600000000 ] - [ -0.0005619700000000, 0.0004460700000000, 0.0002666400000000 ] - [ 0.0002017400000000, 0.0003675100000000, -0.0003319800000000 ] - [ 0.0002058000000000, -0.0006052100000000, -0.0002185500000000 ] - [ 0.0000143800000000, -0.0000538500000000, 0.0001063600000000 ] - [ -0.0002160500000000, -0.0002439600000000, 0.0001328700000000 ] - [ -0.0001483100000000, 0.0002851200000000, 0.0001567500000000 ] - [ 0.0003912200000000, 0.0000178500000000, 0.0001588100000000 ] - [ -0.0000332000000000, 0.0000743100000000, -0.0001471300000000 ] - [ 0.0000848200000000, -0.0000299100000000, -0.0001571600000000 ] - [ -0.0000516400000000, -0.0000667300000000, -0.0001462400000000 ] - [ 0.0002238900000000, -0.0000707800000000, 0.0000457300000000 ] - [ -0.0001390000000000, -0.0000916900000000, 0.0001413300000000 ] - [ -0.0002071700000000, 0.0002305500000000, 0.0000702400000000 ] - [ -0.0000672500000000, -0.0003709500000000, -0.0001420600000000 ] - [ -0.0002878100000000, 0.0002343600000000, -0.0001384700000000 ] - [ 0.0003640100000000, 0.0001226500000000, -0.0001449600000000 ] - [ -0.0000360900000000, 0.0004872700000000, 0.0002092400000000 ] - [ 0.0004312900000000, -0.0002236900000000, 0.0002059400000000 ] - [ -0.0004129800000000, -0.0002593600000000, 0.0002123500000000 ] - [ -0.0006239600000000, 0.0000033000000000, -0.0002132500000000 ] - [ 0.0003087700000000, 0.0005316800000000, -0.0002173900000000 ] - [ 0.0003028500000000, -0.0005443200000000, -0.0002109100000000 ] - [ 0.0006561900000000, 0.0001727300000000, 0.0002471600000000 ] - [ -0.0001734300000000, -0.0006298800000000, 0.0002818500000000 ] - [ -0.0004518800000000, 0.0004543300000000, 0.0002921100000000 ] - [ 0.0002072500000000, 0.0002104200000000, -0.0001910700000000 ] - [ 0.0000772300000000, -0.0002773200000000, -0.0001923600000000 ] - [ -0.0002840900000000, 0.0000716500000000, -0.0001928400000000 ] - [ -0.0001956500000000, -0.0001655200000000, 0.0001801200000000 ] - [ -0.0000453100000000, 0.0002609800000000, 0.0001949400000000 ] - [ 0.0002207400000000, -0.0000965100000000, 0.0001882400000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001910000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004720100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002031900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003177000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006097500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002680400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000640700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000295100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006094600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004322400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001949300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000284600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0478391000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001677000000000 ] - [ 0.0001305400000000, -0.0003309000000000, 0.0007015400000000 ] - [ -0.0003518300000000, 0.0000524000000000, 0.0007015400000000 ] - [ 0.0002213000000000, 0.0002785000000000, 0.0007015400000000 ] - [ -0.0000217500000000, 0.0004776500000000, -0.0010972900000000 ] - [ 0.0004245300000000, -0.0002199900000000, -0.0010972900000000 ] - [ -0.0004027900000000, -0.0002576600000000, -0.0010972900000000 ] - [ 0.0002871800000000, -0.0002834600000000, 0.0001204600000000 ] - [ -0.0003890800000000, -0.0001069800000000, 0.0001204600000000 ] - [ 0.0001018900000000, 0.0003904400000000, 0.0001204600000000 ] - [ -0.0002811600000000, 0.0002638800000000, -0.0001310200000000 ] - [ 0.0003691100000000, 0.0001115500000000, -0.0001310200000000 ] - [ -0.0000879500000000, -0.0003754300000000, -0.0001310200000000 ] - [ -0.0002927400000000, 0.0002449500000000, -0.0004845000000000 ] - [ 0.0003585000000000, 0.0001310400000000, -0.0004845000000000 ] - [ -0.0000657700000000, -0.0003759900000000, -0.0004845000000000 ] - [ -0.0000756400000000, -0.0002094600000000, 0.0004261600000000 ] - [ -0.0001435800000000, 0.0001702400000000, 0.0004261600000000 ] - [ 0.0002192200000000, 0.0000392200000000, 0.0004261600000000 ] - [ -0.0008317500000000, -0.0005302500000000, 0.0006661700000000 ] - [ -0.0000433300000000, 0.0009854400000000, 0.0006661700000000 ] - [ 0.0008750800000000, -0.0004551900000000, 0.0006661700000000 ] - [ -0.0001837600000000, 0.0001179300000000, -0.0002367300000000 ] - [ 0.0001940100000000, 0.0001001800000000, -0.0002367300000000 ] - [ -0.0000102500000000, -0.0002181100000000, -0.0002367300000000 ] - [ -0.0007983900000000, 0.0001836200000000, 0.0002708600000000 ] - [ 0.0005582100000000, 0.0005996100000000, 0.0002708600000000 ] - [ 0.0002401700000000, -0.0007832300000000, 0.0002708600000000 ] - [ 0.0012920400000000, -0.0006290200000000, -0.0013355300000000 ] - [ -0.0011907700000000, -0.0008044300000000, -0.0013355300000000 ] - [ -0.0001012700000000, 0.0014334500000000, -0.0013355300000000 ] - [ -0.0021813400000000, 0.0000287900000000, 0.0004728200000000 ] - [ 0.0011156000000000, 0.0018747000000000, 0.0004728200000000 ] - [ 0.0010657400000000, -0.0019034900000000, 0.0004728200000000 ] - [ -0.0001214400000000, 0.0002534900000000, 0.0001218600000000 ] - [ 0.0002802500000000, -0.0000215800000000, 0.0001218600000000 ] - [ -0.0001588100000000, -0.0002319200000000, 0.0001218600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000304800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000360100000000 ] - [ 0.0001219700000000, -0.0003443700000000, 0.0002248000000000 ] - [ -0.0003592200000000, 0.0000665600000000, 0.0002248000000000 ] - [ 0.0002372500000000, 0.0002778100000000, 0.0002248000000000 ] - [ -0.0000409100000000, 0.0002558900000000, -0.0004525800000000 ] - [ 0.0002420600000000, -0.0000925100000000, -0.0004525800000000 ] - [ -0.0002011500000000, -0.0001633800000000, -0.0004525800000000 ] - [ 0.0003153400000000, -0.0003321600000000, 0.0002138500000000 ] - [ -0.0004453300000000, -0.0001070100000000, 0.0002138500000000 ] - [ 0.0001299900000000, 0.0004391700000000, 0.0002138500000000 ] - [ -0.0002113300000000, 0.0002588700000000, 0.0000171100000000 ] - [ 0.0003298500000000, 0.0000535800000000, 0.0000171100000000 ] - [ -0.0001185200000000, -0.0003124500000000, 0.0000171100000000 ] - [ 0.0000592200000000, 0.0001727700000000, -0.0001702000000000 ] - [ 0.0001200100000000, -0.0001376700000000, -0.0001702000000000 ] - [ -0.0001792300000000, -0.0000351000000000, -0.0001702000000000 ] - [ -0.0018266900000000, -0.0028133200000000, 0.0023598200000000 ] - [ -0.0015230600000000, 0.0029886200000000, 0.0023598200000000 ] - [ 0.0033497500000000, -0.0001753000000000, 0.0023598200000000 ] - [ -0.0000961900000000, -0.0002207000000000, 0.0004287400000000 ] - [ -0.0001430400000000, 0.0001936500000000, 0.0004287400000000 ] - [ 0.0002392300000000, 0.0000270500000000, 0.0004287400000000 ] - [ 0.0000634100000000, 0.0001629600000000, -0.0001502500000000 ] - [ 0.0001094200000000, -0.0001363900000000, -0.0001502500000000 ] - [ -0.0001728300000000, -0.0000265700000000, -0.0001502500000000 ] - [ -0.0010007800000000, 0.0000872600000000, 0.0002243200000000 ] - [ 0.0005759600000000, 0.0008230800000000, 0.0002243200000000 ] - [ 0.0004248200000000, -0.0009103300000000, 0.0002243200000000 ] - [ 0.0008425300000000, -0.0002333300000000, 0.0000230400000000 ] - [ -0.0006233400000000, -0.0006129800000000, 0.0000230400000000 ] - [ -0.0002191900000000, 0.0008463200000000, 0.0000230400000000 ] - [ -0.0000979000000000, -0.0003803900000000, 0.0001486900000000 ] - [ -0.0002804700000000, 0.0002749800000000, 0.0001486900000000 ] - [ 0.0003783700000000, 0.0001054100000000, 0.0001486900000000 ] - [ 0.0000754100000000, 0.0003664400000000, 0.0000318700000000 ] - [ 0.0002796400000000, -0.0002485200000000, 0.0000318700000000 ] - [ -0.0003550500000000, -0.0001179100000000, 0.0000318700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000292600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001587400000000 ] - [ 0.0001107700000000, -0.0002986700000000, 0.0007073300000000 ] - [ -0.0003140400000000, 0.0000534100000000, 0.0007073300000000 ] - [ 0.0002032700000000, 0.0002452700000000, 0.0007073300000000 ] - [ -0.0000451900000000, 0.0002545400000000, -0.0004536800000000 ] - [ 0.0002430400000000, -0.0000881400000000, -0.0004536800000000 ] - [ -0.0001978500000000, -0.0001664100000000, -0.0004536800000000 ] - [ 0.0003251700000000, -0.0003380700000000, 0.0002363700000000 ] - [ -0.0004553700000000, -0.0001125700000000, 0.0002363700000000 ] - [ 0.0001301900000000, 0.0004506400000000, 0.0002363700000000 ] - [ -0.0002783700000000, 0.0002844600000000, -0.0000142200000000 ] - [ 0.0003855300000000, 0.0000988400000000, -0.0000142200000000 ] - [ -0.0001071700000000, -0.0003833000000000, -0.0000142200000000 ] - [ 0.0000444200000000, 0.0001655800000000, -0.0001816000000000 ] - [ 0.0001211800000000, -0.0001212600000000, -0.0001816000000000 ] - [ -0.0001656100000000, -0.0000443200000000, -0.0001816000000000 ] - [ -0.0000835400000000, -0.0002097600000000, 0.0004037100000000 ] - [ -0.0001398900000000, 0.0001772200000000, 0.0004037100000000 ] - [ 0.0002234200000000, 0.0000325300000000, 0.0004037100000000 ] - [ -0.0000675900000000, -0.0002250700000000, 0.0004008000000000 ] - [ -0.0001611200000000, 0.0001710700000000, 0.0004008000000000 ] - [ 0.0002287100000000, 0.0000540000000000, 0.0004008000000000 ] - [ 0.0000644900000000, 0.0002017400000000, -0.0001374700000000 ] - [ 0.0001424700000000, -0.0001567200000000, -0.0001374700000000 ] - [ -0.0002069600000000, -0.0000450200000000, -0.0001374700000000 ] - [ -0.0008513600000000, 0.0002440500000000, 0.0002494400000000 ] - [ 0.0006370300000000, 0.0006152700000000, 0.0002494400000000 ] - [ 0.0002143300000000, -0.0008593200000000, 0.0002494400000000 ] - [ 0.0008457400000000, -0.0002414300000000, 0.0000338000000000 ] - [ -0.0006319500000000, -0.0006117200000000, 0.0000338000000000 ] - [ -0.0002137900000000, 0.0008531400000000, 0.0000338000000000 ] - [ -0.0000761900000000, -0.0003701200000000, 0.0001332500000000 ] - [ -0.0002824400000000, 0.0002510400000000, 0.0001332500000000 ] - [ 0.0003586200000000, 0.0001190800000000, 0.0001332500000000 ] - [ -0.0000209400000000, 0.0003723300000000, 0.0001163100000000 ] - [ 0.0003329200000000, -0.0001680300000000, 0.0001163100000000 ] - [ -0.0003119800000000, -0.0002043000000000, 0.0001163100000000 ] - [ -0.0002074100000000, -0.0000141000000000, -0.0002588100000000 ] - [ 0.0000914900000000, 0.0001866700000000, -0.0002588100000000 ] - [ 0.0001159100000000, -0.0001725700000000, -0.0002588100000000 ] - [ 0.0014842600000000, 0.0000654000000000, 0.0013675600000000 ] - [ -0.0006854900000000, -0.0013181100000000, 0.0013675600000000 ] - [ -0.0007987700000000, 0.0012527100000000, 0.0013675600000000 ] - [ 0.0002196800000000, -0.0008063300000000, -0.0005303300000000 ] - [ -0.0008081400000000, 0.0002129200000000, -0.0005303300000000 ] - [ 0.0005884600000000, 0.0005934100000000, -0.0005303300000000 ] - [ 0.0000182000000000, 0.0002841400000000, 0.0000695300000000 ] - [ 0.0002369700000000, -0.0001578300000000, 0.0000695300000000 ] - [ -0.0002551700000000, -0.0001263100000000, 0.0000695300000000 ] - [ -0.0005985200000000, -0.0001141100000000, -0.0004444300000000 ] - [ 0.0002004400000000, 0.0005753900000000, -0.0004444300000000 ] - [ 0.0003980800000000, -0.0004612800000000, -0.0004444300000000 ] - [ 0.0021635800000000, 0.0178395900000000, 0.0139807800000000 ] - [ 0.0143677500000000, -0.0107935100000000, 0.0139807800000000 ] - [ -0.0165313300000000, -0.0070460800000000, 0.0139807800000000 ] - [ -0.0000487800000000, 0.0005253800000000, -0.0003043100000000 ] - [ 0.0004793800000000, -0.0002204500000000, -0.0003043100000000 ] - [ -0.0004306000000000, -0.0003049300000000, -0.0003043100000000 ] - [ -0.0017886700000000, 0.0004692600000000, -0.0000244500000000 ] - [ 0.0013007300000000, 0.0013144100000000, -0.0000244500000000 ] - [ 0.0004879500000000, -0.0017836700000000, -0.0000244500000000 ] - [ -0.0001534600000000, 0.0001784200000000, 0.0004648100000000 ] - [ 0.0002312500000000, 0.0000436900000000, 0.0004648100000000 ] - [ -0.0000777800000000, -0.0002221100000000, 0.0004648100000000 ] - [ 0.0000385100000000, 0.0000156800000000, -0.0000239800000000 ] - [ -0.0000056700000000, -0.0000411900000000, -0.0000239800000000 ] - [ -0.0000328400000000, 0.0000255100000000, -0.0000239800000000 ] - [ 0.0000265100000000, -0.0002905300000000, -0.0003361500000000 ] - [ -0.0002648600000000, 0.0001223000000000, -0.0003361500000000 ] - [ 0.0002383500000000, 0.0001682300000000, -0.0003361500000000 ] - [ -0.0000058500000000, 0.0003285000000000, -0.0000052600000000 ] - [ 0.0002874100000000, -0.0001591900000000, -0.0000052600000000 ] - [ -0.0002815700000000, -0.0001693100000000, -0.0000052600000000 ] - [ -0.0008459100000000, -0.0010022500000000, -0.0001857300000000 ] - [ -0.0004450200000000, 0.0012337100000000, -0.0001857300000000 ] - [ 0.0012909300000000, -0.0002314500000000, -0.0001857300000000 ] - [ 0.0006083300000000, 0.0003001600000000, 0.0000707600000000 ] - [ -0.0000442200000000, -0.0006769100000000, 0.0000707600000000 ] - [ -0.0005641100000000, 0.0003767500000000, 0.0000707600000000 ] - [ 0.0001247200000000, 0.0002312900000000, -0.0003588700000000 ] - [ 0.0001379400000000, -0.0002236600000000, -0.0003588700000000 ] - [ -0.0002626700000000, -0.0000076300000000, -0.0003588700000000 ] - [ -0.0001922400000000, -0.0002684100000000, -0.0000651800000000 ] - [ -0.0001363300000000, 0.0003006900000000, -0.0000651800000000 ] - [ 0.0003285800000000, -0.0000322800000000, -0.0000651800000000 ] - [ -0.0000104400000000, 0.0000535300000000, -0.0003188500000000 ] - [ 0.0000515800000000, -0.0000177200000000, -0.0003188500000000 ] - [ -0.0000411300000000, -0.0000358100000000, -0.0003188500000000 ] - [ 0.0002337700000000, -0.0000545400000000, -0.0000836600000000 ] - [ -0.0001641200000000, -0.0001751800000000, -0.0000836600000000 ] - [ -0.0000696500000000, 0.0002297200000000, -0.0000836600000000 ] - [ -0.0000641100000000, -0.0003939100000000, -0.0003052400000000 ] - [ -0.0003090800000000, 0.0002524700000000, -0.0003052400000000 ] - [ 0.0003731900000000, 0.0001414300000000, -0.0003052400000000 ] - [ -0.0000229000000000, 0.0004642700000000, 0.0000453400000000 ] - [ 0.0004135200000000, -0.0002123000000000, 0.0000453400000000 ] - [ -0.0003906200000000, -0.0002519600000000, 0.0000453400000000 ] - [ -0.0006288200000000, 0.0000102600000000, -0.0003858500000000 ] - [ 0.0003232900000000, 0.0005394400000000, -0.0003858500000000 ] - [ 0.0003055200000000, -0.0005497000000000, -0.0003858500000000 ] - [ 0.0006306700000000, 0.0001799600000000, 0.0000917500000000 ] - [ -0.0001594900000000, -0.0006361600000000, 0.0000917500000000 ] - [ -0.0004711800000000, 0.0004562000000000, 0.0000917500000000 ] - [ 0.0001827300000000, 0.0002227000000000, -0.0004065800000000 ] - [ 0.0001015000000000, -0.0002696000000000, -0.0004065800000000 ] - [ -0.0002842300000000, 0.0000469000000000, -0.0004065800000000 ] - [ -0.0002186900000000, -0.0001435000000000, -0.0000271200000000 ] - [ -0.0000149300000000, 0.0002611400000000, -0.0000271200000000 ] - [ 0.0002336200000000, -0.0001176400000000, -0.0000271200000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008528000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005699500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000219600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000979700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004342500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007784700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001573200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001930000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004326300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006112500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000259700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001969200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0475855800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000176700000000 ] - [ 0.0000259700000000, -0.0002399000000000, 0.0004574000000000 ] - [ -0.0002207400000000, 0.0000974600000000, 0.0004574000000000 ] - [ 0.0001947700000000, 0.0001424400000000, 0.0004574000000000 ] - [ -0.0001299500000000, 0.0000647900000000, -0.0000647200000000 ] - [ 0.0001210900000000, 0.0000801500000000, -0.0000647200000000 ] - [ 0.0000088700000000, -0.0001449400000000, -0.0000647200000000 ] - [ 0.0003263300000000, -0.0003455700000000, 0.0001236500000000 ] - [ -0.0004624400000000, -0.0001098200000000, 0.0001236500000000 ] - [ 0.0001361100000000, 0.0004554000000000, 0.0001236500000000 ] - [ -0.0003121900000000, 0.0003524800000000, -0.0001246000000000 ] - [ 0.0004613500000000, 0.0000941200000000, -0.0001246000000000 ] - [ -0.0001491600000000, -0.0004466000000000, -0.0001246000000000 ] - [ 0.0004399200000000, 0.0001463600000000, -0.0000843600000000 ] - [ -0.0000932100000000, -0.0004541600000000, -0.0000843600000000 ] - [ -0.0003467100000000, 0.0003078000000000, -0.0000843600000000 ] - [ -0.0000273700000000, -0.0001702200000000, 0.0001560700000000 ] - [ -0.0001337300000000, 0.0001088100000000, 0.0001560700000000 ] - [ 0.0001611000000000, 0.0000614100000000, 0.0001560700000000 ] - [ 0.0006897800000000, 0.0001177200000000, -0.0001333000000000 ] - [ -0.0002429400000000, -0.0006562300000000, -0.0001333000000000 ] - [ -0.0004468400000000, 0.0005385100000000, -0.0001333000000000 ] - [ 0.0002959500000000, 0.0003141400000000, -0.0002980700000000 ] - [ 0.0001240800000000, -0.0004133700000000, -0.0002980700000000 ] - [ -0.0004200300000000, 0.0000992300000000, -0.0002980700000000 ] - [ -0.0009239800000000, 0.0003056300000000, -0.0000611400000000 ] - [ 0.0007266700000000, 0.0006473800000000, -0.0000611400000000 ] - [ 0.0001973100000000, -0.0009530100000000, -0.0000611400000000 ] - [ 0.0003938700000000, 0.0001413000000000, 0.0011116300000000 ] - [ -0.0000745700000000, -0.0004117500000000, 0.0011116300000000 ] - [ -0.0003193000000000, 0.0002704500000000, 0.0011116300000000 ] - [ 0.0021192200000000, -0.0007595100000000, -0.0004479800000000 ] - [ -0.0017173700000000, -0.0014555400000000, -0.0004479800000000 ] - [ -0.0004018500000000, 0.0022150500000000, -0.0004479800000000 ] - [ 0.0001698500000000, 0.0005049100000000, -0.0001454700000000 ] - [ 0.0003523400000000, -0.0003995400000000, -0.0001454700000000 ] - [ -0.0005221900000000, -0.0001053600000000, -0.0001454700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001783500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001104500000000 ] - [ 0.0000323200000000, -0.0002213500000000, 0.0009397900000000 ] - [ -0.0002078500000000, 0.0000826900000000, 0.0009397900000000 ] - [ 0.0001755400000000, 0.0001386600000000, 0.0009397900000000 ] - [ -0.0001141400000000, 0.0003104700000000, -0.0007131900000000 ] - [ 0.0003259500000000, -0.0000563900000000, -0.0007131900000000 ] - [ -0.0002118100000000, -0.0002540800000000, -0.0007131900000000 ] - [ 0.0002719300000000, -0.0002825000000000, 0.0000371100000000 ] - [ -0.0003806100000000, -0.0000942500000000, 0.0000371100000000 ] - [ 0.0001086900000000, 0.0003767500000000, 0.0000371100000000 ] - [ -0.0003772800000000, 0.0003565500000000, -0.0002698100000000 ] - [ 0.0004974200000000, 0.0001484500000000, -0.0002698100000000 ] - [ -0.0001201500000000, -0.0005050100000000, -0.0002698100000000 ] - [ 0.0000849500000000, 0.0001995100000000, -0.0004031000000000 ] - [ 0.0001303100000000, -0.0001733200000000, -0.0004031000000000 ] - [ -0.0002152600000000, -0.0000261900000000, -0.0004031000000000 ] - [ 0.0016736600000000, 0.0024137000000000, -0.0017590100000000 ] - [ 0.0012534900000000, -0.0026562900000000, -0.0017590100000000 ] - [ -0.0029271600000000, 0.0002425800000000, -0.0017590100000000 ] - [ 0.0000030800000000, -0.0001594800000000, 0.0001078000000000 ] - [ -0.0001396500000000, 0.0000770800000000, 0.0001078000000000 ] - [ 0.0001365800000000, 0.0000824000000000, 0.0001078000000000 ] - [ 0.0000300000000000, 0.0002165200000000, -0.0003868600000000 ] - [ 0.0001725100000000, -0.0001342400000000, -0.0003868600000000 ] - [ -0.0002025100000000, -0.0000822800000000, -0.0003868600000000 ] - [ -0.0007202000000000, 0.0003851900000000, -0.0000139800000000 ] - [ 0.0006936800000000, 0.0004311200000000, -0.0000139800000000 ] - [ 0.0000265200000000, -0.0008163000000000, -0.0000139800000000 ] - [ 0.0008784700000000, -0.0002386100000000, -0.0002340400000000 ] - [ -0.0006458800000000, -0.0006414700000000, -0.0002340400000000 ] - [ -0.0002325900000000, 0.0008800800000000, -0.0002340400000000 ] - [ 0.0000326400000000, -0.0004053500000000, -0.0001395700000000 ] - [ -0.0003673600000000, 0.0001744100000000, -0.0001395700000000 ] - [ 0.0003347200000000, 0.0002309400000000, -0.0001395700000000 ] - [ -0.0000095100000000, 0.0004205700000000, -0.0000413800000000 ] - [ 0.0003689800000000, -0.0002020500000000, -0.0000413800000000 ] - [ -0.0003594700000000, -0.0002185200000000, -0.0000413800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001795700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000416100000000 ] - [ 0.0000401400000000, -0.0002432800000000, 0.0004521900000000 ] - [ -0.0002307600000000, 0.0000868800000000, 0.0004521900000000 ] - [ 0.0001906200000000, 0.0001564000000000, 0.0004521900000000 ] - [ -0.0001094400000000, 0.0003159300000000, -0.0007054300000000 ] - [ 0.0003283200000000, -0.0000631900000000, -0.0007054300000000 ] - [ -0.0002188800000000, -0.0002527400000000, -0.0007054300000000 ] - [ 0.0002670600000000, -0.0002776900000000, 0.0000213500000000 ] - [ -0.0003740100000000, -0.0000924300000000, 0.0000213500000000 ] - [ 0.0001069600000000, 0.0003701200000000, 0.0000213500000000 ] - [ -0.0003369200000000, 0.0003446800000000, -0.0002282000000000 ] - [ 0.0004669600000000, 0.0001194500000000, -0.0002282000000000 ] - [ -0.0001300400000000, -0.0004641200000000, -0.0002282000000000 ] - [ 0.0000582300000000, 0.0002159400000000, -0.0004009500000000 ] - [ 0.0001578900000000, -0.0001584000000000, -0.0004009500000000 ] - [ -0.0002161200000000, -0.0000575400000000, -0.0004009500000000 ] - [ -0.0000607300000000, -0.0001809500000000, 0.0001626300000000 ] - [ -0.0001263500000000, 0.0001430700000000, 0.0001626300000000 ] - [ 0.0001870700000000, 0.0000378800000000, 0.0001626300000000 ] - [ -0.0000409600000000, -0.0002072900000000, 0.0001343100000000 ] - [ -0.0001590400000000, 0.0001391200000000, 0.0001343100000000 ] - [ 0.0002000000000000, 0.0000681800000000, 0.0001343100000000 ] - [ 0.0000910800000000, 0.0002180300000000, -0.0004031000000000 ] - [ 0.0001432800000000, -0.0001879000000000, -0.0004031000000000 ] - [ -0.0002343600000000, -0.0000301400000000, -0.0004031000000000 ] - [ -0.0008211200000000, 0.0002383100000000, -0.0000233100000000 ] - [ 0.0006169400000000, 0.0005919600000000, -0.0000233100000000 ] - [ 0.0002041800000000, -0.0008302600000000, -0.0000233100000000 ] - [ 0.0008751900000000, -0.0002471800000000, -0.0002460400000000 ] - [ -0.0006516600000000, -0.0006343400000000, -0.0002460400000000 ] - [ -0.0002235300000000, 0.0008815200000000, -0.0002460400000000 ] - [ 0.0000295900000000, -0.0003844600000000, -0.0001100300000000 ] - [ -0.0003477500000000, 0.0001666000000000, -0.0001100300000000 ] - [ 0.0003181600000000, 0.0002178600000000, -0.0001100300000000 ] - [ 0.0000836200000000, 0.0003583700000000, -0.0001283800000000 ] - [ 0.0002685500000000, -0.0002516000000000, -0.0001283800000000 ] - [ -0.0003521700000000, -0.0001067700000000, -0.0001283800000000 ] - [ -0.0002430600000000, 0.0000690300000000, 0.0000889000000000 ] - [ 0.0001813200000000, 0.0001759800000000, 0.0000889000000000 ] - [ 0.0000617500000000, -0.0002450200000000, 0.0000889000000000 ] - [ -0.0014315500000000, -0.0002227200000000, -0.0010600600000000 ] - [ 0.0005228900000000, 0.0013511200000000, -0.0010600600000000 ] - [ 0.0009086600000000, -0.0011283900000000, -0.0010600600000000 ] - [ -0.0001724400000000, -0.0001673900000000, 0.0001102300000000 ] - [ -0.0000587500000000, 0.0002330300000000, 0.0001102300000000 ] - [ 0.0002311800000000, -0.0000656400000000, 0.0001102300000000 ] - [ 0.0001176300000000, 0.0004568800000000, 0.0002113300000000 ] - [ 0.0003368500000000, -0.0003303100000000, 0.0002113300000000 ] - [ -0.0004544800000000, -0.0001265700000000, 0.0002113300000000 ] - [ -0.0006756100000000, -0.0002211600000000, -0.0000993400000000 ] - [ 0.0001462800000000, 0.0006956800000000, -0.0000993400000000 ] - [ 0.0005293300000000, -0.0004745200000000, -0.0000993400000000 ] - [ -0.0008755300000000, -0.0174811900000000, -0.0135493800000000 ] - [ -0.0147013900000000, 0.0094988300000000, -0.0135493800000000 ] - [ 0.0155769200000000, 0.0079823700000000, -0.0135493800000000 ] - [ 0.0004468500000000, -0.0002109300000000, -0.0000724600000000 ] - [ -0.0004061000000000, -0.0002815200000000, -0.0000724600000000 ] - [ -0.0000407500000000, 0.0004924500000000, -0.0000724600000000 ] - [ 0.0014022500000000, -0.0009044200000000, 0.0004094300000000 ] - [ -0.0014843700000000, -0.0007621800000000, 0.0004094300000000 ] - [ 0.0000821200000000, 0.0016665900000000, 0.0004094300000000 ] - [ 0.0001095900000000, -0.0002576800000000, -0.0007489600000000 ] - [ -0.0002779500000000, 0.0000339300000000, -0.0007489600000000 ] - [ 0.0001683600000000, 0.0002237500000000, -0.0007489600000000 ] - [ 0.0000058100000000, 0.0000644100000000, 0.0003118200000000 ] - [ 0.0000528700000000, -0.0000372400000000, 0.0003118200000000 ] - [ -0.0000586800000000, -0.0000271700000000, 0.0003118200000000 ] - [ -0.0000138100000000, -0.0003492900000000, 0.0000317700000000 ] - [ -0.0002955900000000, 0.0001866000000000, 0.0000317700000000 ] - [ 0.0003094000000000, 0.0001626900000000, 0.0000317700000000 ] - [ -0.0000069100000000, 0.0003109200000000, 0.0003112100000000 ] - [ 0.0002727200000000, -0.0001494700000000, 0.0003112100000000 ] - [ -0.0002658100000000, -0.0001614500000000, 0.0003112100000000 ] - [ -0.0004062200000000, 0.0004168900000000, -0.0003089300000000 ] - [ 0.0005641500000000, 0.0001433500000000, -0.0003089300000000 ] - [ -0.0001579300000000, -0.0005602500000000, -0.0003089300000000 ] - [ 0.0006429400000000, 0.0002833800000000, 0.0004262900000000 ] - [ -0.0000760600000000, -0.0006984900000000, 0.0004262900000000 ] - [ -0.0005668800000000, 0.0004151100000000, 0.0004262900000000 ] - [ 0.0002545800000000, 0.0003438300000000, 0.0000615700000000 ] - [ 0.0001704700000000, -0.0003923900000000, 0.0000615700000000 ] - [ -0.0004250600000000, 0.0000485600000000, 0.0000615700000000 ] - [ -0.0001867500000000, -0.0003068000000000, 0.0003643000000000 ] - [ -0.0001723200000000, 0.0003151300000000, 0.0003643000000000 ] - [ 0.0003590700000000, -0.0000083300000000, 0.0003643000000000 ] - [ -0.0000423000000000, 0.0001081200000000, 0.0000193200000000 ] - [ 0.0001147900000000, -0.0000174300000000, 0.0000193200000000 ] - [ -0.0000724900000000, -0.0000907000000000, 0.0000193200000000 ] - [ 0.0002167300000000, 0.0000004700000000, 0.0002548200000000 ] - [ -0.0001079600000000, -0.0001879300000000, 0.0002548200000000 ] - [ -0.0001087700000000, 0.0001874600000000, 0.0002548200000000 ] - [ -0.0000702300000000, -0.0003490400000000, 0.0000216300000000 ] - [ -0.0002671600000000, 0.0002353400000000, 0.0000216300000000 ] - [ 0.0003373900000000, 0.0001137000000000, 0.0000216300000000 ] - [ -0.0000283900000000, 0.0005090400000000, 0.0003724500000000 ] - [ 0.0004550300000000, -0.0002299300000000, 0.0003724500000000 ] - [ -0.0004266500000000, -0.0002791000000000, 0.0003724500000000 ] - [ -0.0006139500000000, -0.0000000400000000, -0.0000396500000000 ] - [ 0.0003069400000000, 0.0005317100000000, -0.0000396500000000 ] - [ 0.0003070000000000, -0.0005316700000000, -0.0000396500000000 ] - [ 0.0006426500000000, 0.0001541500000000, 0.0004527900000000 ] - [ -0.0001878200000000, -0.0006336300000000, 0.0004527900000000 ] - [ -0.0004548300000000, 0.0004794800000000, 0.0004527900000000 ] - [ 0.0002260700000000, 0.0001950000000000, 0.0000219500000000 ] - [ 0.0000558400000000, -0.0002932800000000, 0.0000219500000000 ] - [ -0.0002819100000000, 0.0000982800000000, 0.0000219500000000 ] - [ -0.0001765900000000, -0.0001749500000000, 0.0004025500000000 ] - [ -0.0000632200000000, 0.0002404100000000, 0.0004025500000000 ] - [ 0.0002398100000000, -0.0000654500000000, 0.0004025500000000 ]- atom: 15 displacement: [ 0.0100000000000000, 0.0000000000216584, 0.0000000000000000 ] forces: - [ 0.0000643300000000, 0.0000012100000000, -0.0005424000000000 ] - [ 0.0002088500000000, 0.0002433500000000, 0.0007847400000000 ] - [ 0.0010183900000000, 0.0022362100000000, -0.0007241300000000 ] - [ -0.0000680000000000, 0.0000018900000000, 0.0000746300000000 ] - [ 0.0000020600000000, 0.0000000600000000, -0.0005543300000000 ] - [ 0.0000033300000000, -0.0000035500000000, 0.0004923700000000 ] - [ -0.0000052800000000, 0.0000000500000000, -0.0001409200000000 ] - [ 0.0000004500000000, 0.0000003200000000, 0.0000812400000000 ] - [ -0.0003873800000000, 0.0001228800000000, -0.0001710800000000 ] - [ -0.0000237700000000, 0.0000088700000000, 0.0004884200000000 ] - [ 0.0000004900000000, 0.0000062300000000, -0.0001387500000000 ] - [ 0.0004414400000000, -0.0002632900000000, -0.0000746900000000 ] - [ -0.0000705100000000, -0.0000012400000000, -0.0000062100000000 ] - [ 0.0011587600000000, 0.0001549300000000, 0.0001289500000000 ] - [ -0.0809936400000000, 0.0204132800000000, 0.0015441600000000 ] - [ -0.0004497200000000, -0.0001944200000000, 0.0005890700000000 ] - [ 0.0005598400000000, 0.0007788200000000, 0.0004221500000000 ] - [ -0.0000486900000000, 0.0002448500000000, -0.0005129800000000 ] - [ 0.0002630600000000, -0.0000621500000000, -0.0005461400000000 ] - [ -0.0002005500000000, -0.0002061700000000, -0.0005426400000000 ] - [ 0.0003672400000000, -0.0003042600000000, 0.0001828500000000 ] - [ -0.0007440000000000, -0.0000202500000000, 0.0004376200000000 ] - [ 0.0003067400000000, -0.0001376500000000, -0.0001201500000000 ] - [ 0.0002593700000000, 0.0002504800000000, -0.0005369700000000 ] - [ 0.0002792700000000, -0.0001785300000000, 0.0001218400000000 ] - [ -0.0002444900000000, 0.0001993900000000, 0.0002658200000000 ] - [ 0.0000723200000000, 0.0001997200000000, -0.0002417800000000 ] - [ 0.0001112500000000, -0.0001472000000000, -0.0002362800000000 ] - [ -0.0001981000000000, -0.0000468000000000, -0.0002396700000000 ] - [ 0.0018155000000000, -0.0031121500000000, 0.0029352400000000 ] - [ 0.0000514700000000, -0.0003095900000000, -0.0000003200000000 ] - [ 0.0000608900000000, 0.0003514100000000, 0.0002757300000000 ] - [ 0.0000108600000000, -0.0001705700000000, 0.0009139300000000 ] - [ -0.0000631100000000, 0.0001845200000000, 0.0001796700000000 ] - [ 0.0004116500000000, 0.0002886000000000, 0.0002108300000000 ] - [ 0.0002157600000000, 0.0000940300000000, 0.0000999900000000 ] - [ 0.0006534400000000, 0.0001823800000000, 0.0000565000000000 ] - [ -0.0000295600000000, 0.0000666200000000, -0.0005801900000000 ] - [ 0.0008949700000000, 0.0000071300000000, -0.0010555300000000 ] - [ 0.0073303800000000, -0.0013858100000000, 0.0013206700000000 ] - [ 0.0004694000000000, -0.0006882900000000, 0.0000738200000000 ] - [ 0.0008092700000000, -0.0002056400000000, -0.0001315100000000 ] - [ -0.0006170100000000, -0.0006044600000000, 0.0000486100000000 ] - [ -0.0001557800000000, 0.0009023200000000, -0.0000607800000000 ] - [ -0.0000495200000000, -0.0004797200000000, 0.0000975500000000 ] - [ -0.0002487300000000, 0.0002797500000000, 0.0000599600000000 ] - [ 0.0001859900000000, 0.0002455500000000, -0.0000848900000000 ] - [ 0.0014879800000000, 0.0031988300000000, 0.0029438800000000 ] - [ 0.0007289400000000, -0.0003043000000000, -0.0000781100000000 ] - [ 0.0005524800000000, 0.0000428200000000, 0.0002555700000000 ] - [ 0.0000056400000000, -0.0000039000000000, -0.0000383000000000 ] - [ -0.0000071300000000, 0.0000077300000000, 0.0001106300000000 ] - [ 0.0000938000000000, -0.0002938400000000, 0.0006195900000000 ] - [ -0.0002830000000000, 0.0000743600000000, 0.0006161000000000 ] - [ 0.0002168600000000, 0.0002374700000000, 0.0006511000000000 ] - [ -0.0000677000000000, 0.0002679500000000, -0.0005313200000000 ] - [ 0.0002694800000000, -0.0000840300000000, -0.0005386100000000 ] - [ -0.0002067500000000, -0.0001931900000000, -0.0005409600000000 ] - [ 0.0003031300000000, -0.0003195300000000, 0.0001642100000000 ] - [ -0.0004276100000000, -0.0001045300000000, 0.0001620100000000 ] - [ 0.0001237800000000, 0.0004240300000000, 0.0001623000000000 ] - [ -0.0002828200000000, 0.0002982400000000, -0.0000869200000000 ] - [ 0.0003985500000000, 0.0000967500000000, -0.0000891100000000 ] - [ -0.0001153000000000, -0.0003961200000000, -0.0000866000000000 ] - [ 0.0000605800000000, 0.0001849100000000, -0.0002518400000000 ] - [ 0.0001329900000000, -0.0001450600000000, -0.0002440900000000 ] - [ -0.0001921100000000, -0.0000164000000000, -0.0002405600000000 ] - [ -0.0000685000000000, -0.0001993200000000, 0.0003350300000000 ] - [ -0.0001472700000000, 0.0001714200000000, 0.0002824000000000 ] - [ 0.0001973100000000, 0.0000138500000000, 0.0003427600000000 ] - [ -0.0000526200000000, -0.0001946900000000, 0.0003136800000000 ] - [ -0.0001393400000000, 0.0001420800000000, 0.0003151900000000 ] - [ 0.0001901800000000, 0.0000544700000000, 0.0003170900000000 ] - [ 0.0000421600000000, 0.0001875200000000, -0.0002226400000000 ] - [ 0.0001416600000000, -0.0001299900000000, -0.0002200900000000 ] - [ -0.0001813700000000, -0.0000568800000000, -0.0002214500000000 ] - [ -0.0008714900000000, 0.0002423800000000, 0.0001593400000000 ] - [ 0.0006296600000000, 0.0006257900000000, 0.0001483800000000 ] - [ 0.0002319200000000, -0.0008710900000000, 0.0001590200000000 ] - [ 0.0008559000000000, -0.0002358800000000, -0.0000580200000000 ] - [ -0.0006290200000000, -0.0006237100000000, -0.0000576900000000 ] - [ -0.0002230800000000, 0.0008583400000000, -0.0000575200000000 ] - [ -0.0000513400000000, -0.0003886400000000, 0.0000492600000000 ] - [ -0.0003107200000000, 0.0002389700000000, 0.0000482100000000 ] - [ 0.0003667300000000, 0.0001532000000000, 0.0000459100000000 ] - [ 0.0000171400000000, 0.0003903200000000, 0.0000311800000000 ] - [ 0.0003354400000000, -0.0002083200000000, 0.0000415000000000 ] - [ -0.0003542200000000, -0.0001902100000000, 0.0000471200000000 ] - [ -0.0002481800000000, -0.0003192600000000, -0.0000311200000000 ] - [ -0.0000152500000000, 0.0000224500000000, 0.0000909600000000 ] - [ 0.0000916600000000, -0.0002766300000000, 0.0006243400000000 ] - [ -0.0002973600000000, 0.0000629800000000, 0.0006286100000000 ] - [ 0.0002050700000000, 0.0002063400000000, 0.0006193400000000 ] - [ -0.0001107700000000, 0.0004200900000000, -0.0006818900000000 ] - [ 0.0028634900000000, 0.0001235600000000, 0.0022981700000000 ] - [ 0.0005707200000000, -0.0014552200000000, -0.0019164900000000 ] - [ 0.0003870500000000, -0.0003245100000000, 0.0001493800000000 ] - [ -0.0001426100000000, 0.0002605500000000, 0.0002204900000000 ] - [ 0.0000342600000000, 0.0004010000000000, 0.0001376000000000 ] - [ -0.0001161500000000, 0.0003511300000000, -0.0000800000000000 ] - [ 0.0004366300000000, 0.0001374500000000, -0.0001467600000000 ] - [ -0.0000762400000000, -0.0004346500000000, 0.0000158700000000 ] - [ 0.0008423400000000, 0.0001863200000000, -0.0003193400000000 ] - [ 0.0009670300000000, -0.0001666700000000, -0.0004856900000000 ] - [ 0.0028131000000000, 0.0010330200000000, -0.0020888400000000 ] - [ -0.0000741000000000, -0.0002002800000000, 0.0003218900000000 ] - [ -0.0001387000000000, 0.0001652200000000, 0.0003184500000000 ] - [ 0.0002136800000000, 0.0000299500000000, 0.0003308700000000 ] - [ -0.0000359100000000, -0.0001179000000000, 0.0002515600000000 ] - [ -0.0002913300000000, 0.0001230800000000, 0.0003573500000000 ] - [ 0.0002354000000000, -0.0000839200000000, 0.0003058500000000 ] - [ 0.0000948400000000, 0.0002578900000000, -0.0002586400000000 ] - [ 0.0000729400000000, -0.0002435100000000, -0.0001546200000000 ] - [ -0.0001775600000000, -0.0001493100000000, -0.0003072900000000 ] - [ -0.0008222000000000, 0.0002415600000000, 0.0001434100000000 ] - [ 0.0006308200000000, 0.0006189800000000, 0.0001426000000000 ] - [ 0.0002003400000000, -0.0008589700000000, 0.0001981100000000 ] - [ 0.0011596200000000, -0.0010731200000000, 0.0000811000000000 ] - [ -0.0005911700000000, -0.0006119600000000, -0.0001031800000000 ] - [ -0.0001823200000000, 0.0004623000000000, 0.0000549500000000 ] - [ -0.0001393600000000, -0.0003218600000000, 0.0000574100000000 ] - [ -0.0002815300000000, 0.0002200400000000, 0.0001493500000000 ] - [ 0.0005441000000000, 0.0002490400000000, -0.0001439600000000 ] - [ -0.0000258400000000, 0.0003927900000000, 0.0000796000000000 ] - [ 0.0002691100000000, -0.0002182500000000, -0.0000090600000000 ] - [ -0.0003302300000000, -0.0001758500000000, 0.0000109800000000 ] - [ -0.0023757600000000, -0.0008518400000000, 0.0007753600000000 ] - [ 0.0405052900000000, -0.0072900600000000, -0.0297546900000000 ] - [ -0.0000228700000000, -0.0001118400000000, 0.0003266700000000 ] - [ 0.0000265000000000, -0.0000833800000000, 0.0001225200000000 ] - [ -0.0001162300000000, 0.0000542100000000, 0.0000512500000000 ] - [ 0.0000334600000000, 0.0000641100000000, 0.0001034200000000 ] - [ 0.0002595800000000, -0.0001937500000000, -0.0004487700000000 ] - [ -0.0006502300000000, -0.0000103300000000, -0.0005314200000000 ] - [ 0.0011012900000000, 0.0000011100000000, 0.0000065300000000 ] - [ 0.0002692700000000, -0.0003973000000000, -0.0010528100000000 ] - [ -0.0001554800000000, -0.0002444400000000, 0.0001248800000000 ] - [ -0.0005598800000000, 0.0000699800000000, 0.0000084000000000 ] - [ -0.0029225800000000, -0.0007518500000000, 0.0006048800000000 ] - [ -0.0006120400000000, -0.0002144700000000, -0.0016266400000000 ] - [ -0.0007387100000000, -0.0000165800000000, -0.0000151700000000 ] - [ 0.0007724700000000, -0.0000583600000000, 0.0001779900000000 ] - [ -0.0002838300000000, -0.0005242700000000, 0.0001619100000000 ] - [ -0.0002600200000000, 0.0004863900000000, 0.0001246900000000 ] - [ -0.0003235700000000, -0.0006572800000000, 0.0005522800000000 ] - [ -0.0004068600000000, -0.0009300200000000, -0.0017517300000000 ] - [ -0.0007304000000000, 0.0000700700000000, -0.0000162200000000 ] - [ -0.0000602700000000, -0.0002810200000000, 0.0003135800000000 ] - [ -0.0002024100000000, 0.0004181100000000, -0.0000709400000000 ] - [ 0.0002331600000000, -0.0003372300000000, 0.0000820300000000 ] - [ -0.0000235100000000, -0.0000770600000000, -0.0002219000000000 ] - [ -0.0000393300000000, 0.0000608100000000, -0.0001769800000000 ] - [ 0.0000136100000000, 0.0000063400000000, -0.0002169900000000 ] - [ 0.0000345700000000, 0.0000317600000000, 0.0000890100000000 ] - [ 0.0000136700000000, -0.0000246200000000, 0.0000749700000000 ] - [ -0.0000455500000000, 0.0000111700000000, 0.0000889300000000 ] - [ -0.0000016700000000, -0.0003313800000000, -0.0002104200000000 ] - [ -0.0002833300000000, 0.0001577500000000, -0.0002120100000000 ] - [ 0.0002760700000000, 0.0001796100000000, -0.0002090200000000 ] - [ 0.0000026700000000, 0.0003173000000000, 0.0000967500000000 ] - [ 0.0002677400000000, -0.0001524500000000, 0.0000939400000000 ] - [ -0.0002581000000000, -0.0001685100000000, 0.0000935900000000 ] - [ -0.0006126500000000, -0.0002875200000000, -0.0003252400000000 ] - [ 0.0000698700000000, 0.0006930300000000, -0.0002999100000000 ] - [ 0.0005701900000000, -0.0004030700000000, -0.0003104800000000 ] - [ 0.0006182600000000, 0.0002971500000000, 0.0001936200000000 ] - [ -0.0000621500000000, -0.0006857700000000, 0.0001798900000000 ] - [ -0.0005693300000000, 0.0003936900000000, 0.0001895100000000 ] - [ 0.0001851200000000, 0.0002895300000000, -0.0002303200000000 ] - [ 0.0001605400000000, -0.0003016800000000, -0.0002206100000000 ] - [ -0.0003493600000000, 0.0000067600000000, -0.0002259800000000 ] - [ -0.0001971600000000, -0.0002838100000000, 0.0000734900000000 ] - [ -0.0001464500000000, 0.0003138400000000, 0.0000736300000000 ] - [ 0.0003420600000000, -0.0000291600000000, 0.0000736600000000 ] - [ -0.0000183300000000, 0.0000711600000000, -0.0002128200000000 ] - [ 0.0000779800000000, -0.0000349100000000, -0.0001989800000000 ] - [ -0.0000228900000000, -0.0000593900000000, -0.0002214800000000 ] - [ 0.0000926300000000, 0.0014247200000000, 0.0000291800000000 ] - [ -0.0001649200000000, -0.0006468200000000, -0.0000496700000000 ] - [ 0.0223207500000000, -0.0106351500000000, 0.0253108300000000 ] - [ 0.0000944200000000, -0.0004373300000000, -0.0000966500000000 ] - [ -0.0004957900000000, 0.0004503700000000, -0.0003682000000000 ] - [ 0.0000268000000000, -0.0003282900000000, 0.0000118300000000 ] - [ 0.0000202600000000, 0.0004844400000000, 0.0000024200000000 ] - [ 0.0003282900000000, -0.0001573400000000, 0.0003600500000000 ] - [ -0.0004348600000000, -0.0002799700000000, 0.0001451200000000 ] - [ -0.0006273200000000, -0.0000140600000000, -0.0002611500000000 ] - [ 0.0003481600000000, 0.0005203800000000, -0.0002943600000000 ] - [ 0.0003089600000000, -0.0005289400000000, -0.0002616500000000 ] - [ 0.0004340900000000, 0.0003508800000000, 0.0005691600000000 ] - [ 0.0007555500000000, -0.0007256900000000, 0.0006570200000000 ] - [ -0.0008283800000000, 0.0010629800000000, -0.0016848500000000 ] - [ 0.0001327400000000, 0.0002809500000000, -0.0001953000000000 ] - [ 0.0001010500000000, -0.0003506200000000, -0.0002360100000000 ] - [ -0.0001864800000000, 0.0001313000000000, -0.0003419500000000 ] - [ -0.0002102100000000, 0.0001985400000000, 0.0003646200000000 ] - [ 0.0000515100000000, 0.0000971100000000, 0.0001385500000000 ] - [ 0.0004151400000000, 0.0000732500000000, -0.0001578400000000 ]- atom: 15 displacement: [ -0.0100000000000000, -0.0000000000216584, 0.0000000000000000 ] forces: - [ -0.0000618800000000, -0.0000031200000000, -0.0005062200000000 ] - [ -0.0002090200000000, -0.0002405600000000, 0.0002640900000000 ] - [ -0.0009998100000000, -0.0022351800000000, 0.0004971300000000 ] - [ 0.0000660100000000, -0.0000018700000000, 0.0001510100000000 ] - [ -0.0000012900000000, -0.0000008600000000, -0.0004958800000000 ] - [ -0.0000041600000000, 0.0000043800000000, 0.0005568900000000 ] - [ 0.0000060200000000, 0.0000015300000000, -0.0000861100000000 ] - [ -0.0000011500000000, -0.0000019800000000, 0.0001451300000000 ] - [ 0.0003864300000000, -0.0001237100000000, -0.0008754000000000 ] - [ 0.0000214900000000, -0.0000073200000000, 0.0005593500000000 ] - [ 0.0000015800000000, -0.0000060200000000, -0.0000877600000000 ] - [ -0.0004459500000000, 0.0002603800000000, 0.0003019800000000 ] - [ 0.0000717700000000, 0.0000012800000000, -0.0001074800000000 ] - [ -0.0011667600000000, -0.0001504700000000, 0.0000176900000000 ] - [ 0.0801424800000000, -0.0210608100000000, 0.0015763800000000 ] - [ -0.0001231500000000, 0.0003511100000000, 0.0005643300000000 ] - [ -0.0001419500000000, -0.0003598700000000, 0.0007278600000000 ] - [ -0.0001026700000000, 0.0002982800000000, -0.0006413300000000 ] - [ 0.0002819900000000, -0.0000795600000000, -0.0006079100000000 ] - [ -0.0001938000000000, -0.0001962700000000, -0.0006089500000000 ] - [ 0.0002458700000000, -0.0003276000000000, 0.0000573700000000 ] - [ -0.0001104100000000, -0.0001941600000000, -0.0001936000000000 ] - [ -0.0000688700000000, 0.0009919200000000, 0.0003602800000000 ] - [ -0.0008624900000000, 0.0003735200000000, 0.0002901300000000 ] - [ 0.0005525100000000, 0.0003813500000000, -0.0003799200000000 ] - [ 0.0000029400000000, -0.0010175000000000, -0.0005170800000000 ] - [ 0.0000699500000000, 0.0001981700000000, -0.0003197600000000 ] - [ 0.0001619900000000, -0.0001724100000000, -0.0003251400000000 ] - [ -0.0002084100000000, -0.0000179700000000, -0.0003252800000000 ] - [ -0.0019264000000000, 0.0027581800000000, -0.0023697700000000 ] - [ -0.0003376000000000, 0.0005900100000000, 0.0005760400000000 ] - [ 0.0003148200000000, -0.0002568700000000, 0.0003055000000000 ] - [ -0.0001702200000000, -0.0002504800000000, -0.0003737800000000 ] - [ -0.0002211800000000, 0.0001603200000000, 0.0003598500000000 ] - [ 0.0000273000000000, -0.0002107500000000, 0.0003301600000000 ] - [ -0.0001038200000000, 0.0003375300000000, -0.0006313900000000 ] - [ -0.0003329700000000, -0.0004905900000000, -0.0005918000000000 ] - [ -0.0003939900000000, -0.0001911900000000, 0.0000443300000000 ] - [ -0.0026418800000000, 0.0004836800000000, 0.0012729700000000 ] - [ -0.0059589600000000, 0.0025779900000000, -0.0010835500000000 ] - [ -0.0000282900000000, -0.0010450700000000, 0.0001346300000000 ] - [ 0.0008693500000000, -0.0002766000000000, -0.0000922800000000 ] - [ -0.0006376500000000, -0.0006037300000000, -0.0002732800000000 ] - [ -0.0002673700000000, 0.0007863700000000, -0.0001629300000000 ] - [ -0.0000164600000000, -0.0002475300000000, -0.0000871900000000 ] - [ -0.0003517100000000, 0.0001410100000000, -0.0000477500000000 ] - [ 0.0004835000000000, 0.0000664400000000, 0.0000990100000000 ] - [ -0.0014210400000000, -0.0024128200000000, -0.0029314900000000 ] - [ -0.0000967500000000, -0.0001147500000000, 0.0000537000000000 ] - [ -0.0012290500000000, -0.0003833400000000, -0.0002753500000000 ] - [ -0.0000050000000000, 0.0000040700000000, -0.0001057400000000 ] - [ 0.0000065400000000, -0.0000079600000000, 0.0000340700000000 ] - [ 0.0000614700000000, -0.0002738200000000, 0.0005408100000000 ] - [ -0.0002849600000000, 0.0000757800000000, 0.0005446900000000 ] - [ 0.0001967300000000, 0.0001809500000000, 0.0005068000000000 ] - [ -0.0000874300000000, 0.0002997000000000, -0.0006283500000000 ] - [ 0.0002973000000000, -0.0000669600000000, -0.0006206500000000 ] - [ -0.0002068000000000, -0.0002258800000000, -0.0006164100000000 ] - [ 0.0002859300000000, -0.0002996200000000, 0.0000854700000000 ] - [ -0.0004007300000000, -0.0000933300000000, 0.0000883500000000 ] - [ 0.0001181900000000, 0.0003942900000000, 0.0000854700000000 ] - [ -0.0003058800000000, 0.0003204700000000, -0.0001617300000000 ] - [ 0.0004292400000000, 0.0001007700000000, -0.0001606700000000 ] - [ -0.0001266700000000, -0.0004223800000000, -0.0001606800000000 ] - [ 0.0000815600000000, 0.0001944100000000, -0.0003154800000000 ] - [ 0.0001248500000000, -0.0001652700000000, -0.0003239700000000 ] - [ -0.0001980000000000, -0.0000388100000000, -0.0003312800000000 ] - [ -0.0000735700000000, -0.0001803700000000, 0.0002332900000000 ] - [ -0.0001096600000000, 0.0001386100000000, 0.0002868900000000 ] - [ 0.0001933100000000, 0.0000416000000000, 0.0002295300000000 ] - [ -0.0000434400000000, -0.0001854600000000, 0.0002223600000000 ] - [ -0.0001417200000000, 0.0001277800000000, 0.0002227300000000 ] - [ 0.0001802200000000, 0.0000569300000000, 0.0002200800000000 ] - [ 0.0000535400000000, 0.0001926700000000, -0.0003124200000000 ] - [ 0.0001392700000000, -0.0001400000000000, -0.0003169200000000 ] - [ -0.0001888500000000, -0.0000544200000000, -0.0003149300000000 ] - [ -0.0008565100000000, 0.0002299500000000, 0.0000490700000000 ] - [ 0.0006394500000000, 0.0006291100000000, 0.0000604100000000 ] - [ 0.0002244500000000, -0.0008536900000000, 0.0000497700000000 ] - [ 0.0008719300000000, -0.0002363300000000, -0.0001492300000000 ] - [ -0.0006399800000000, -0.0006311400000000, -0.0001499700000000 ] - [ -0.0002330700000000, 0.0008662700000000, -0.0001504100000000 ] - [ -0.0000168400000000, -0.0003957500000000, -0.0000404700000000 ] - [ -0.0003360400000000, 0.0002115000000000, -0.0000392900000000 ] - [ 0.0003526000000000, 0.0001844800000000, -0.0000352000000000 ] - [ 0.0000506200000000, 0.0003940900000000, -0.0000389000000000 ] - [ 0.0003117500000000, -0.0002419200000000, -0.0000493000000000 ] - [ -0.0003646900000000, -0.0001478300000000, -0.0000571700000000 ] - [ 0.0002527200000000, 0.0003160800000000, -0.0001174100000000 ] - [ 0.0000144000000000, -0.0000226900000000, 0.0000234400000000 ] - [ 0.0000594500000000, -0.0002668000000000, 0.0005312100000000 ] - [ -0.0002476900000000, 0.0000788300000000, 0.0005264500000000 ] - [ 0.0001891300000000, 0.0001972100000000, 0.0005326900000000 ] - [ -0.0000463100000000, 0.0001530900000000, -0.0004720800000000 ] - [ -0.0023043000000000, -0.0002883600000000, -0.0034873700000000 ] - [ -0.0009852000000000, 0.0010414000000000, 0.0007602900000000 ] - [ 0.0002073200000000, -0.0002948100000000, 0.0001069000000000 ] - [ -0.0006875900000000, -0.0004614000000000, 0.0000390200000000 ] - [ 0.0002060000000000, 0.0004231300000000, 0.0001169800000000 ] - [ -0.0004985700000000, 0.0002811700000000, -0.0001594000000000 ] - [ 0.0004165800000000, 0.0000758800000000, -0.0000936700000000 ] - [ -0.0001639100000000, -0.0004151600000000, -0.0002534900000000 ] - [ -0.0007406900000000, 0.0002036900000000, -0.0002596700000000 ] - [ -0.0006789900000000, -0.0001118000000000, -0.0000937300000000 ] - [ -0.0031559600000000, -0.0011073000000000, 0.0014803400000000 ] - [ -0.0000682000000000, -0.0001979100000000, 0.0002405400000000 ] - [ -0.0001348100000000, 0.0001544600000000, 0.0002437100000000 ] - [ 0.0001930500000000, 0.0000347200000000, 0.0002348500000000 ] - [ -0.0000763600000000, -0.0003147300000000, 0.0002818400000000 ] - [ -0.0000262800000000, 0.0001865000000000, 0.0001814400000000 ] - [ 0.0001882200000000, 0.0002081700000000, 0.0002307200000000 ] - [ 0.0000628000000000, 0.0001626100000000, -0.0002794300000000 ] - [ 0.0002121700000000, -0.0000997100000000, -0.0003850000000000 ] - [ -0.0002595700000000, 0.0000730900000000, -0.0002332500000000 ] - [ -0.0008565400000000, 0.0002401900000000, 0.0000806300000000 ] - [ 0.0006238900000000, 0.0005888300000000, 0.0000816900000000 ] - [ 0.0002227000000000, -0.0008294700000000, 0.0000269200000000 ] - [ 0.0005663000000000, 0.0005883900000000, -0.0002924800000000 ] - [ -0.0006919900000000, -0.0006350000000000, -0.0001053500000000 ] - [ -0.0002537200000000, 0.0012626000000000, -0.0002485000000000 ] - [ 0.0000890200000000, -0.0004307600000000, -0.0000342300000000 ] - [ -0.0003495500000000, 0.0001988700000000, -0.0001260200000000 ] - [ 0.0001352700000000, 0.0000890600000000, 0.0001699900000000 ] - [ 0.0000911000000000, 0.0003355000000000, -0.0000903500000000 ] - [ 0.0003321900000000, -0.0002020700000000, -0.0000020600000000 ] - [ -0.0003388000000000, -0.0001374800000000, -0.0000236800000000 ] - [ 0.0019171900000000, 0.0009135300000000, -0.0009423400000000 ] - [ -0.0389335200000000, 0.0072854500000000, 0.0283689500000000 ] - [ 0.0001994000000000, -0.0002975900000000, -0.0004939000000000 ] - [ 0.0000178100000000, -0.0000699800000000, 0.0001768400000000 ] - [ -0.0000479400000000, -0.0000079800000000, 0.0002428300000000 ] - [ 0.0000808400000000, 0.0000755500000000, 0.0001934600000000 ] - [ -0.0001858100000000, -0.0007827800000000, 0.0000342300000000 ] - [ -0.0002157200000000, 0.0004520700000000, 0.0001118900000000 ] - [ -0.0002795800000000, 0.0005262200000000, -0.0004184900000000 ] - [ -0.0001339700000000, 0.0011513100000000, 0.0013315000000000 ] - [ 0.0007340300000000, -0.0002249100000000, 0.0001614600000000 ] - [ -0.0001461600000000, -0.0003207500000000, 0.0002755400000000 ] - [ 0.0016500500000000, 0.0004127500000000, -0.0011424000000000 ] - [ 0.0009654800000000, 0.0014819300000000, 0.0010781700000000 ] - [ 0.0016608600000000, -0.0009253400000000, -0.0005234200000000 ] - [ 0.0004686200000000, 0.0000469900000000, 0.0002464200000000 ] - [ -0.0003444000000000, -0.0005422900000000, 0.0002642600000000 ] - [ -0.0003522400000000, 0.0005999700000000, 0.0002987700000000 ] - [ 0.0007195100000000, 0.0009786200000000, -0.0009235600000000 ] - [ 0.0004851600000000, 0.0004218600000000, 0.0013818900000000 ] - [ 0.0002573900000000, 0.0001073400000000, -0.0003534900000000 ] - [ -0.0003571400000000, -0.0001470400000000, 0.0000670400000000 ] - [ 0.0000492500000000, 0.0001364700000000, 0.0004558400000000 ] - [ 0.0003303400000000, 0.0001889300000000, 0.0003021900000000 ] - [ -0.0000177000000000, -0.0000000300000000, -0.0000651300000000 ] - [ -0.0000139700000000, 0.0000116000000000, -0.0001055600000000 ] - [ 0.0000765900000000, -0.0000082200000000, -0.0000684100000000 ] - [ 0.0000067900000000, 0.0000450900000000, 0.0001964800000000 ] - [ 0.0000393600000000, -0.0000477000000000, 0.0002055500000000 ] - [ -0.0000441700000000, -0.0000092800000000, 0.0001947800000000 ] - [ 0.0000042500000000, -0.0003103000000000, -0.0000949700000000 ] - [ -0.0002700000000000, 0.0001476400000000, -0.0000930000000000 ] - [ 0.0002657800000000, 0.0001712400000000, -0.0000975900000000 ] - [ -0.0000052000000000, 0.0003241200000000, 0.0002074600000000 ] - [ 0.0002851700000000, -0.0001521100000000, 0.0002095300000000 ] - [ -0.0002839100000000, -0.0001822300000000, 0.0002117700000000 ] - [ -0.0006420900000000, -0.0002979300000000, -0.0001705500000000 ] - [ 0.0000537000000000, 0.0006722900000000, -0.0001980100000000 ] - [ 0.0005615000000000, -0.0003904500000000, -0.0001840600000000 ] - [ 0.0006364300000000, 0.0002883500000000, 0.0003007700000000 ] - [ -0.0000611100000000, -0.0006797400000000, 0.0003166500000000 ] - [ -0.0005625300000000, 0.0003992600000000, 0.0003037200000000 ] - [ 0.0001953900000000, 0.0002872400000000, -0.0000656500000000 ] - [ 0.0001467300000000, -0.0003157700000000, -0.0000758800000000 ] - [ -0.0003408000000000, 0.0000332400000000, -0.0000711600000000 ] - [ -0.0001835000000000, -0.0002929200000000, 0.0002209600000000 ] - [ -0.0001604000000000, 0.0003035700000000, 0.0002213100000000 ] - [ 0.0003483900000000, -0.0000111000000000, 0.0002216600000000 ] - [ -0.0000254800000000, 0.0000827100000000, -0.0000877800000000 ] - [ 0.0000861600000000, -0.0000115500000000, -0.0000961500000000 ] - [ -0.0000913800000000, -0.0000799600000000, -0.0000762400000000 ] - [ 0.0003710000000000, -0.0014921300000000, 0.0001450500000000 ] - [ -0.0001052000000000, 0.0002976900000000, 0.0002149300000000 ] - [ -0.0229003900000000, 0.0114387700000000, -0.0259361100000000 ] - [ -0.0002292300000000, -0.0003153300000000, -0.0001872000000000 ] - [ -0.0000815500000000, 0.0000213500000000, 0.0000855500000000 ] - [ 0.0006819800000000, 0.0005804100000000, -0.0003003100000000 ] - [ -0.0000930500000000, 0.0004896700000000, 0.0004130800000000 ] - [ 0.0005366500000000, -0.0002853500000000, 0.0000549700000000 ] - [ -0.0003875800000000, -0.0002433100000000, 0.0002723700000000 ] - [ -0.0006148500000000, 0.0000260000000000, -0.0001643800000000 ] - [ 0.0002796400000000, 0.0005456200000000, -0.0001326000000000 ] - [ 0.0003029000000000, -0.0005578200000000, -0.0001634500000000 ] - [ 0.0008350800000000, -0.0000181300000000, -0.0000238700000000 ] - [ -0.0011006100000000, -0.0005373900000000, -0.0001128100000000 ] - [ -0.0000966400000000, -0.0001212400000000, 0.0022340000000000 ] - [ 0.0002847400000000, 0.0001473900000000, -0.0001871500000000 ] - [ 0.0000546900000000, -0.0002040100000000, -0.0001482600000000 ] - [ -0.0003778700000000, 0.0000145700000000, -0.0000438800000000 ] - [ -0.0001902900000000, -0.0005213600000000, 0.0000062100000000 ] - [ -0.0001279400000000, 0.0004075100000000, 0.0002344700000000 ] - [ 0.0000498000000000, -0.0002533600000000, 0.0005247400000000 ]- atom: 15 displacement: [ -0.0050000000088145, 0.0086602540327554, 0.0000000000000000 ] forces: - [ -0.0000166900000000, -0.0000195600000000, -0.0004991100000000 ] - [ -0.0001330800000000, -0.0003304400000000, 0.0001462700000000 ] - [ 0.0013815300000000, 0.0056678200000000, -0.0022713400000000 ] - [ 0.0000462000000000, 0.0000349400000000, 0.0001401200000000 ] - [ -0.0000001800000000, 0.0000002500000000, -0.0004890500000000 ] - [ -0.0000039400000000, 0.0000019300000000, 0.0005638800000000 ] - [ 0.0000046600000000, 0.0000027800000000, -0.0000795100000000 ] - [ -0.0000000500000000, -0.0000032700000000, 0.0001516300000000 ] - [ 0.0001006800000000, 0.0000416800000000, -0.0006113600000000 ] - [ 0.0000121700000000, 0.0000055500000000, 0.0005629800000000 ] - [ 0.0000140900000000, -0.0000375000000000, -0.0000678200000000 ] - [ -0.0003910100000000, 0.0000657800000000, -0.0001547400000000 ] - [ 0.0000789700000000, 0.0000281700000000, -0.0001209700000000 ] - [ -0.0006704800000000, -0.0003209700000000, 0.0002230500000000 ] - [ 0.0583476500000000, -0.0337005400000000, 0.0137686600000000 ] - [ -0.0002804200000000, 0.0008450500000000, 0.0007908900000000 ] - [ 0.0003667500000000, 0.0001129800000000, 0.0009429200000000 ] - [ -0.0001119000000000, 0.0002997800000000, -0.0006523800000000 ] - [ 0.0002748500000000, -0.0000795200000000, -0.0006177300000000 ] - [ -0.0001901700000000, -0.0002079400000000, -0.0006237000000000 ] - [ 0.0002306000000000, -0.0002741600000000, 0.0000621500000000 ] - [ -0.0004424200000000, -0.0001841800000000, 0.0000973400000000 ] - [ 0.0000369200000000, 0.0008116500000000, 0.0002532500000000 ] - [ -0.0007249100000000, 0.0006716900000000, 0.0002612600000000 ] - [ 0.0005108300000000, 0.0003158500000000, -0.0003002000000000 ] - [ -0.0000959700000000, -0.0005687600000000, -0.0002766400000000 ] - [ 0.0000702300000000, 0.0002079400000000, -0.0003259100000000 ] - [ 0.0001527100000000, -0.0001733600000000, -0.0003328300000000 ] - [ -0.0002008200000000, -0.0000184700000000, -0.0003324900000000 ] - [ -0.0031451000000000, 0.0037939300000000, -0.0029955300000000 ] - [ -0.0004354300000000, 0.0006851900000000, 0.0005938600000000 ] - [ 0.0004468200000000, 0.0001412700000000, 0.0003682600000000 ] - [ -0.0003483200000000, -0.0003339500000000, -0.0004382000000000 ] - [ -0.0001498600000000, 0.0003399800000000, 0.0002409400000000 ] - [ 0.0001581400000000, -0.0001340200000000, 0.0002442700000000 ] - [ -0.0001519300000000, 0.0002805500000000, -0.0006716000000000 ] - [ 0.0001226500000000, -0.0001104700000000, -0.0002130600000000 ] - [ -0.0003257700000000, -0.0002021400000000, -0.0000611500000000 ] - [ -0.0020142300000000, 0.0002879800000000, 0.0008961800000000 ] - [ -0.0055605000000000, 0.0019004000000000, -0.0008077200000000 ] - [ 0.0001427700000000, -0.0008895600000000, 0.0002535300000000 ] - [ 0.0008714500000000, -0.0002678500000000, -0.0001374100000000 ] - [ -0.0006444200000000, -0.0006226200000000, -0.0003193100000000 ] - [ -0.0002145700000000, 0.0008698100000000, -0.0001525000000000 ] - [ -0.0000301500000000, -0.0002486000000000, -0.0001106700000000 ] - [ -0.0003290100000000, 0.0002091700000000, -0.0000131400000000 ] - [ 0.0004443600000000, 0.0000843700000000, 0.0000099200000000 ] - [ 0.0003156300000000, 0.0000744400000000, -0.0000182200000000 ] - [ 0.0000646600000000, -0.0001631600000000, 0.0000670200000000 ] - [ -0.0011487400000000, -0.0003261400000000, -0.0002957600000000 ] - [ -0.0000049100000000, 0.0000016000000000, -0.0001124400000000 ] - [ 0.0000024200000000, -0.0000022400000000, 0.0000288300000000 ] - [ 0.0000648400000000, -0.0002740500000000, 0.0005321300000000 ] - [ -0.0002758700000000, 0.0000803000000000, 0.0005266100000000 ] - [ 0.0001938000000000, 0.0001723600000000, 0.0004944400000000 ] - [ -0.0000961000000000, 0.0003038900000000, -0.0006414400000000 ] - [ 0.0002963000000000, -0.0000666200000000, -0.0006238900000000 ] - [ -0.0002060200000000, -0.0002245800000000, -0.0006276300000000 ] - [ 0.0002829500000000, -0.0002980900000000, 0.0000785700000000 ] - [ -0.0003971700000000, -0.0000927400000000, 0.0000798300000000 ] - [ 0.0001167900000000, 0.0003919800000000, 0.0000776800000000 ] - [ -0.0003069600000000, 0.0003235600000000, -0.0001691800000000 ] - [ 0.0004321000000000, 0.0001019400000000, -0.0001695900000000 ] - [ -0.0001270400000000, -0.0004260600000000, -0.0001683700000000 ] - [ 0.0000827900000000, 0.0001878300000000, -0.0003331900000000 ] - [ 0.0001306300000000, -0.0001655300000000, -0.0003301300000000 ] - [ -0.0002032800000000, -0.0000387200000000, -0.0003314200000000 ] - [ -0.0000630000000000, -0.0001707600000000, 0.0002332500000000 ] - [ -0.0001134700000000, 0.0001376000000000, 0.0002612000000000 ] - [ 0.0001953500000000, 0.0000449900000000, 0.0002190000000000 ] - [ -0.0000423200000000, -0.0001849800000000, 0.0002126300000000 ] - [ -0.0001414900000000, 0.0001271900000000, 0.0002123800000000 ] - [ 0.0001799700000000, 0.0000564600000000, 0.0002095300000000 ] - [ 0.0000534900000000, 0.0001933000000000, -0.0003231300000000 ] - [ 0.0001398400000000, -0.0001411000000000, -0.0003265400000000 ] - [ -0.0001899800000000, -0.0000529700000000, -0.0003241200000000 ] - [ -0.0008582500000000, 0.0002301300000000, 0.0000446000000000 ] - [ 0.0006342000000000, 0.0006275100000000, 0.0000490800000000 ] - [ 0.0002232300000000, -0.0008511200000000, 0.0000392000000000 ] - [ 0.0008780000000000, -0.0002370900000000, -0.0001651000000000 ] - [ -0.0006402800000000, -0.0006317600000000, -0.0001598500000000 ] - [ -0.0002335000000000, 0.0008664900000000, -0.0001597500000000 ] - [ -0.0000129500000000, -0.0003965600000000, -0.0000492200000000 ] - [ -0.0003366000000000, 0.0002080000000000, -0.0000464400000000 ] - [ 0.0003520300000000, 0.0001889000000000, -0.0000455900000000 ] - [ 0.0000549700000000, 0.0003927900000000, -0.0000513700000000 ] - [ 0.0003090900000000, -0.0002438800000000, -0.0000573000000000 ] - [ -0.0003676600000000, -0.0001471700000000, -0.0000570700000000 ] - [ 0.0001636000000000, 0.0005159000000000, -0.0001487200000000 ] - [ 0.0000154700000000, -0.0000364400000000, 0.0000129900000000 ] - [ 0.0000584300000000, -0.0002644900000000, 0.0005173800000000 ] - [ -0.0002341400000000, 0.0000832000000000, 0.0004982600000000 ] - [ 0.0001884700000000, 0.0001975000000000, 0.0005262900000000 ] - [ 0.0000533300000000, 0.0003985500000000, -0.0004344500000000 ] - [ -0.0005583500000000, -0.0003872800000000, -0.0015815900000000 ] - [ -0.0019410200000000, 0.0017668300000000, 0.0020257700000000 ] - [ 0.0002548400000000, -0.0002827900000000, 0.0000774700000000 ] - [ -0.0006654900000000, -0.0003711900000000, 0.0001059600000000 ] - [ 0.0002926400000000, 0.0003124500000000, -0.0000234300000000 ] - [ -0.0003741500000000, 0.0002356200000000, -0.0001074800000000 ] - [ 0.0004653200000000, 0.0000941100000000, -0.0001301300000000 ] - [ -0.0001766700000000, -0.0004309700000000, -0.0002349100000000 ] - [ -0.0006343300000000, 0.0003598600000000, -0.0001905800000000 ] - [ -0.0003472500000000, -0.0001689900000000, -0.0001121900000000 ] - [ 0.0001938200000000, 0.0001607100000000, 0.0001097000000000 ] - [ -0.0000648600000000, -0.0002019900000000, 0.0002321700000000 ] - [ -0.0001292300000000, 0.0001543500000000, 0.0002340100000000 ] - [ 0.0001880300000000, 0.0000335900000000, 0.0002255400000000 ] - [ -0.0001323200000000, -0.0002039300000000, 0.0003313300000000 ] - [ -0.0000462700000000, 0.0002255900000000, -0.0001629100000000 ] - [ 0.0001984500000000, 0.0002073900000000, 0.0002758400000000 ] - [ 0.0000749100000000, 0.0002270900000000, -0.0002970500000000 ] - [ 0.0000245900000000, -0.0002263200000000, -0.0004811400000000 ] - [ -0.0002681300000000, 0.0000757200000000, -0.0002203800000000 ] - [ -0.0008478400000000, 0.0002426300000000, 0.0000941500000000 ] - [ 0.0006151500000000, 0.0005887800000000, 0.0000824200000000 ] - [ 0.0002103800000000, -0.0008575900000000, 0.0000056600000000 ] - [ 0.0004690900000000, 0.0007852500000000, -0.0003563700000000 ] - [ -0.0006671300000000, -0.0005085700000000, -0.0000412600000000 ] - [ -0.0011576500000000, 0.0017568600000000, -0.0023873200000000 ] - [ 0.0001178500000000, -0.0002861600000000, -0.0001033200000000 ] - [ -0.0004801000000000, 0.0002903500000000, -0.0002696700000000 ] - [ 0.0001310700000000, 0.0001534900000000, 0.0002119300000000 ] - [ 0.0000499800000000, 0.0003335400000000, -0.0000758300000000 ] - [ 0.0003265600000000, -0.0002543600000000, -0.0000515900000000 ] - [ -0.0003308600000000, -0.0001180700000000, -0.0000338700000000 ] - [ 0.0007659000000000, 0.0006536100000000, -0.0006214700000000 ] - [ -0.0261727900000000, 0.0068535200000000, 0.0183539800000000 ] - [ -0.0000420000000000, -0.0007829100000000, -0.0006316700000000 ] - [ 0.0000173200000000, -0.0000635700000000, 0.0002004200000000 ] - [ -0.0000446800000000, -0.0000151100000000, 0.0002619100000000 ] - [ 0.0000646600000000, 0.0000638300000000, 0.0002019800000000 ] - [ -0.0001257900000000, -0.0006867400000000, -0.0000347900000000 ] - [ -0.0003051200000000, 0.0001957000000000, -0.0000768700000000 ] - [ 0.0000718100000000, 0.0006345200000000, -0.0000577200000000 ] - [ 0.0003062700000000, 0.0004276900000000, 0.0006336200000000 ] - [ 0.0002631100000000, -0.0002144200000000, 0.0002381900000000 ] - [ -0.0001769900000000, -0.0003315400000000, 0.0003308900000000 ] - [ 0.0013748200000000, 0.0006462100000000, -0.0011261500000000 ] - [ 0.0004295400000000, 0.0008562200000000, -0.0006029600000000 ] - [ 0.0014816900000000, -0.0005012200000000, -0.0007947800000000 ] - [ 0.0005021500000000, 0.0000268700000000, 0.0002885800000000 ] - [ -0.0003613100000000, -0.0005793500000000, 0.0003138100000000 ] - [ -0.0003684100000000, 0.0005342400000000, 0.0002888900000000 ] - [ 0.0005348700000000, 0.0008315200000000, -0.0007273100000000 ] - [ 0.0012240300000000, 0.0004039200000000, 0.0017471000000000 ] - [ -0.0000276700000000, -0.0000923500000000, -0.0002336300000000 ] - [ -0.0003276000000000, -0.0001092500000000, 0.0001770000000000 ] - [ 0.0001706300000000, 0.0001559400000000, 0.0005618200000000 ] - [ 0.0002692700000000, -0.0001316800000000, 0.0002435000000000 ] - [ -0.0000134200000000, 0.0000186300000000, -0.0000644600000000 ] - [ -0.0000184700000000, 0.0000231700000000, -0.0000830400000000 ] - [ 0.0000681100000000, -0.0000225800000000, -0.0000541800000000 ] - [ -0.0000090500000000, 0.0000345800000000, 0.0002201300000000 ] - [ 0.0000471600000000, -0.0000535400000000, 0.0002142800000000 ] - [ -0.0000398800000000, -0.0000089500000000, 0.0002037600000000 ] - [ 0.0000041900000000, -0.0003095800000000, -0.0000823400000000 ] - [ -0.0002698700000000, 0.0001494900000000, -0.0000818100000000 ] - [ 0.0002622100000000, 0.0001701900000000, -0.0000849500000000 ] - [ -0.0000051700000000, 0.0003272600000000, 0.0002199900000000 ] - [ 0.0002866600000000, -0.0001544600000000, 0.0002218100000000 ] - [ -0.0002801100000000, -0.0001829800000000, 0.0002226800000000 ] - [ -0.0006289100000000, -0.0002990900000000, -0.0001672400000000 ] - [ 0.0000588000000000, 0.0006723500000000, -0.0001809600000000 ] - [ 0.0005622100000000, -0.0003924700000000, -0.0001727600000000 ] - [ 0.0006346500000000, 0.0002886500000000, 0.0003167400000000 ] - [ -0.0000629300000000, -0.0006786100000000, 0.0003288000000000 ] - [ -0.0005670600000000, 0.0004041300000000, 0.0003133000000000 ] - [ 0.0001967800000000, 0.0002872200000000, -0.0000522300000000 ] - [ 0.0001448300000000, -0.0003170300000000, -0.0000591400000000 ] - [ -0.0003404700000000, 0.0000326700000000, -0.0000540500000000 ] - [ -0.0001837300000000, -0.0002963300000000, 0.0002386100000000 ] - [ -0.0001605800000000, 0.0003033800000000, 0.0002376500000000 ] - [ 0.0003476700000000, -0.0000085300000000, 0.0002363000000000 ] - [ -0.0000300700000000, 0.0000733300000000, -0.0000860500000000 ] - [ 0.0000868400000000, -0.0000160600000000, -0.0000882000000000 ] - [ -0.0000834400000000, -0.0000759000000000, -0.0000535700000000 ] - [ 0.0007707100000000, -0.0018391600000000, 0.0001006100000000 ] - [ -0.0003271800000000, -0.0003962900000000, 0.0000256000000000 ] - [ -0.0222203400000000, 0.0125598700000000, -0.0272445600000000 ] - [ -0.0003715000000000, -0.0003244400000000, -0.0000436700000000 ] - [ -0.0001505200000000, -0.0000134800000000, 0.0001080000000000 ] - [ 0.0006297300000000, 0.0004502400000000, -0.0004109900000000 ] - [ 0.0000805100000000, 0.0005203100000000, 0.0003056100000000 ] - [ 0.0005014900000000, -0.0001060500000000, 0.0001679800000000 ] - [ -0.0004218000000000, -0.0002875700000000, 0.0002974000000000 ] - [ -0.0006124000000000, 0.0000312900000000, -0.0001492600000000 ] - [ 0.0003047600000000, 0.0005714600000000, -0.0001303300000000 ] - [ 0.0002985000000000, -0.0005206300000000, -0.0001416200000000 ] - [ 0.0008129100000000, -0.0002255200000000, -0.0000848700000000 ] - [ -0.0009653700000000, -0.0013927200000000, 0.0003141500000000 ] - [ -0.0000716100000000, -0.0002838500000000, 0.0028180100000000 ] - [ 0.0002619700000000, 0.0001134400000000, -0.0001966700000000 ] - [ 0.0000832600000000, -0.0001977800000000, -0.0001492000000000 ] - [ -0.0003474500000000, 0.0001679700000000, 0.0000476400000000 ] - [ -0.0001841800000000, -0.0006919000000000, -0.0000856500000000 ] - [ -0.0000798300000000, 0.0001277600000000, 0.0002043500000000 ] - [ 0.0010003000000000, -0.0001622600000000, 0.0009068500000000 ]- atom: 15 displacement: [ 0.0050000000088145, -0.0086602540327554, 0.0000000000000000 ] forces: - [ 0.0000186500000000, 0.0000183400000000, -0.0005474300000000 ] - [ 0.0001323400000000, 0.0003311300000000, 0.0008983500000000 ] - [ -0.0014404500000000, -0.0057695100000000, 0.0021055800000000 ] - [ -0.0000483000000000, -0.0000356900000000, 0.0000855700000000 ] - [ 0.0000009900000000, -0.0000010400000000, -0.0005595400000000 ] - [ 0.0000031800000000, -0.0000010600000000, 0.0004843400000000 ] - [ -0.0000039200000000, -0.0000012200000000, -0.0001470900000000 ] - [ -0.0000006300000000, 0.0000016300000000, 0.0000749300000000 ] - [ -0.0000996100000000, -0.0000437500000000, -0.0004360700000000 ] - [ -0.0000144300000000, -0.0000039800000000, 0.0004836400000000 ] - [ -0.0000119800000000, 0.0000375100000000, -0.0001581700000000 ] - [ 0.0003893600000000, -0.0000690200000000, 0.0003828000000000 ] - [ -0.0000786200000000, -0.0000286100000000, 0.0000069800000000 ] - [ 0.0006617700000000, 0.0003263100000000, -0.0000774200000000 ] - [ -0.0581340300000000, 0.0330261700000000, -0.0114279900000000 ] - [ -0.0002938500000000, -0.0006920600000000, 0.0003640600000000 ] - [ 0.0000531600000000, 0.0003091300000000, 0.0002086800000000 ] - [ -0.0000390800000000, 0.0002433400000000, -0.0005025300000000 ] - [ 0.0002703900000000, -0.0000621800000000, -0.0005373000000000 ] - [ -0.0002041600000000, -0.0001944600000000, -0.0005288300000000 ] - [ 0.0003842500000000, -0.0003579100000000, 0.0001784100000000 ] - [ -0.0004085500000000, -0.0000301000000000, 0.0001410200000000 ] - [ 0.0002012900000000, 0.0000402300000000, -0.0000130600000000 ] - [ 0.0001191100000000, -0.0000402600000000, -0.0005048200000000 ] - [ 0.0003200900000000, -0.0001137600000000, 0.0000426700000000 ] - [ -0.0001429900000000, -0.0002593600000000, 0.0000192800000000 ] - [ 0.0000722300000000, 0.0001896500000000, -0.0002365000000000 ] - [ 0.0001202300000000, -0.0001461100000000, -0.0002293800000000 ] - [ -0.0002057800000000, -0.0000462400000000, -0.0002332100000000 ] - [ 0.0030025100000000, -0.0041200600000000, 0.0035519400000000 ] - [ 0.0001522000000000, -0.0004050300000000, -0.0000177900000000 ] - [ -0.0000683800000000, -0.0000470200000000, 0.0002132300000000 ] - [ 0.0001920000000000, -0.0000858400000000, 0.0009817800000000 ] - [ -0.0001352500000000, 0.0000039400000000, 0.0002999200000000 ] - [ 0.0002808200000000, 0.0002095400000000, 0.0002968500000000 ] - [ 0.0002665400000000, 0.0001499700000000, 0.0001437400000000 ] - [ 0.0001903800000000, -0.0002030800000000, -0.0003268700000000 ] - [ -0.0000984200000000, 0.0000773100000000, -0.0004739600000000 ] - [ 0.0002723500000000, 0.0002035300000000, -0.0006814000000000 ] - [ 0.0069189600000000, -0.0006866200000000, 0.0010367200000000 ] - [ 0.0002974700000000, -0.0008446100000000, -0.0000431400000000 ] - [ 0.0008073300000000, -0.0002146100000000, -0.0000868900000000 ] - [ -0.0006101400000000, -0.0005850200000000, 0.0000967700000000 ] - [ -0.0002087300000000, 0.0008179000000000, -0.0000724500000000 ] - [ -0.0000352300000000, -0.0004800400000000, 0.0001221200000000 ] - [ -0.0002719400000000, 0.0002105200000000, 0.0000243800000000 ] - [ 0.0002248700000000, 0.0002291500000000, 0.0000033100000000 ] - [ -0.0002659400000000, 0.0006631200000000, -0.0000154800000000 ] - [ 0.0005670300000000, -0.0002560000000000, -0.0000905000000000 ] - [ 0.0004725300000000, -0.0000150200000000, 0.0002772900000000 ] - [ 0.0000055900000000, -0.0000014200000000, -0.0000321900000000 ] - [ -0.0000029600000000, 0.0000019300000000, 0.0001159000000000 ] - [ 0.0000900700000000, -0.0002933900000000, 0.0006283400000000 ] - [ -0.0002917500000000, 0.0000699700000000, 0.0006345400000000 ] - [ 0.0002199500000000, 0.0002460000000000, 0.0006641000000000 ] - [ -0.0000592400000000, 0.0002638300000000, -0.0005192300000000 ] - [ 0.0002705400000000, -0.0000843500000000, -0.0005363000000000 ] - [ -0.0002075200000000, -0.0001943700000000, -0.0005306400000000 ] - [ 0.0003060200000000, -0.0003200300000000, 0.0001716200000000 ] - [ -0.0004303400000000, -0.0001056100000000, 0.0001710900000000 ] - [ 0.0001244200000000, 0.0004257400000000, 0.0001706600000000 ] - [ -0.0002818200000000, 0.0002943400000000, -0.0000805500000000 ] - [ 0.0003951400000000, 0.0000961800000000, -0.0000813900000000 ] - [ -0.0001141800000000, -0.0003921400000000, -0.0000800700000000 ] - [ 0.0000595300000000, 0.0001912500000000, -0.0002350300000000 ] - [ 0.0001270100000000, -0.0001448000000000, -0.0002387600000000 ] - [ -0.0001867700000000, -0.0000162700000000, -0.0002411700000000 ] - [ -0.0000791400000000, -0.0002089700000000, 0.0003351500000000 ] - [ -0.0001433100000000, 0.0001725500000000, 0.0003082800000000 ] - [ 0.0001949800000000, 0.0000101800000000, 0.0003537600000000 ] - [ -0.0000541500000000, -0.0001952400000000, 0.0003229500000000 ] - [ -0.0001394900000000, 0.0001431200000000, 0.0003250800000000 ] - [ 0.0001907400000000, 0.0000547600000000, 0.0003272000000000 ] - [ 0.0000427200000000, 0.0001870700000000, -0.0002121900000000 ] - [ 0.0001410500000000, -0.0001293800000000, -0.0002107000000000 ] - [ -0.0001805700000000, -0.0000579600000000, -0.0002125800000000 ] - [ -0.0008697300000000, 0.0002424400000000, 0.0001637300000000 ] - [ 0.0006351200000000, 0.0006272900000000, 0.0001595500000000 ] - [ 0.0002330900000000, -0.0008738300000000, 0.0001695800000000 ] - [ 0.0008499900000000, -0.0002352800000000, -0.0000427900000000 ] - [ -0.0006288800000000, -0.0006230500000000, -0.0000483800000000 ] - [ -0.0002224900000000, 0.0008583300000000, -0.0000487500000000 ] - [ -0.0000548500000000, -0.0003877900000000, 0.0000577100000000 ] - [ -0.0003103000000000, 0.0002422000000000, 0.0000550600000000 ] - [ 0.0003672200000000, 0.0001491100000000, 0.0000559000000000 ] - [ 0.0000127600000000, 0.0003915900000000, 0.0000433400000000 ] - [ 0.0003381600000000, -0.0002063300000000, 0.0000492300000000 ] - [ -0.0003511700000000, -0.0001907700000000, 0.0000465600000000 ] - [ -0.0001579500000000, -0.0005182900000000, -0.0000005700000000 ] - [ -0.0000164100000000, 0.0000362500000000, 0.0001014500000000 ] - [ 0.0000924900000000, -0.0002787300000000, 0.0006383700000000 ] - [ -0.0003104900000000, 0.0000588600000000, 0.0006569600000000 ] - [ 0.0002057200000000, 0.0002056900000000, 0.0006259200000000 ] - [ -0.0002108500000000, 0.0001742500000000, -0.0007193100000000 ] - [ 0.0011378800000000, 0.0002328100000000, 0.0004222200000000 ] - [ 0.0015309800000000, -0.0021960300000000, -0.0032034600000000 ] - [ 0.0003393300000000, -0.0003358100000000, 0.0001796700000000 ] - [ -0.0001647600000000, 0.0001705100000000, 0.0001527800000000 ] - [ -0.0000527300000000, 0.0005107900000000, 0.0002789400000000 ] - [ -0.0002395400000000, 0.0003957500000000, -0.0001330400000000 ] - [ 0.0003875200000000, 0.0001202100000000, -0.0001113600000000 ] - [ -0.0000628700000000, -0.0004185700000000, -0.0000037900000000 ] - [ 0.0007312200000000, 0.0000274500000000, -0.0003890300000000 ] - [ 0.0006349200000000, -0.0001095100000000, -0.0004679300000000 ] - [ -0.0005864600000000, -0.0002670900000000, -0.0006872200000000 ] - [ -0.0000774400000000, -0.0001959400000000, 0.0003304800000000 ] - [ -0.0001440000000000, 0.0001652900000000, 0.0003283700000000 ] - [ 0.0002185700000000, 0.0000309700000000, 0.0003403900000000 ] - [ 0.0000204200000000, -0.0002288200000000, 0.0002019000000000 ] - [ -0.0002710500000000, 0.0000852000000000, 0.0006986500000000 ] - [ 0.0002254200000000, -0.0000840300000000, 0.0002601700000000 ] - [ 0.0000831600000000, 0.0001934800000000, -0.0002408100000000 ] - [ 0.0002593000000000, -0.0001183200000000, -0.0000591900000000 ] - [ -0.0001688900000000, -0.0001516700000000, -0.0003211500000000 ] - [ -0.0008308400000000, 0.0002392900000000, 0.0001296000000000 ] - [ 0.0006397700000000, 0.0006189900000000, 0.0001417800000000 ] - [ 0.0002124300000000, -0.0008311100000000, 0.0002193100000000 ] - [ 0.0012565300000000, -0.0012687600000000, 0.0001427000000000 ] - [ -0.0006153000000000, -0.0007379700000000, -0.0001669700000000 ] - [ 0.0007231100000000, -0.0000283300000000, 0.0021716100000000 ] - [ -0.0001674600000000, -0.0004658800000000, 0.0001255100000000 ] - [ -0.0001515400000000, 0.0001287600000000, 0.0002913200000000 ] - [ 0.0005489600000000, 0.0001857600000000, -0.0001868300000000 ] - [ 0.0000151200000000, 0.0003945500000000, 0.0000649800000000 ] - [ 0.0002747300000000, -0.0001659300000000, 0.0000402100000000 ] - [ -0.0003382100000000, -0.0001953700000000, 0.0000210200000000 ] - [ -0.0012314300000000, -0.0005909800000000, 0.0004570500000000 ] - [ 0.0270040200000000, -0.0063854700000000, -0.0189892500000000 ] - [ 0.0002229400000000, 0.0003761600000000, 0.0004641000000000 ] - [ 0.0000269100000000, -0.0000900000000000, 0.0000995500000000 ] - [ -0.0001197700000000, 0.0000620900000000, 0.0000319300000000 ] - [ 0.0000497200000000, 0.0000757800000000, 0.0000957000000000 ] - [ 0.0002003800000000, -0.0002877400000000, -0.0003807200000000 ] - [ -0.0005604900000000, 0.0002490500000000, -0.0003371900000000 ] - [ 0.0007513100000000, -0.0001163600000000, -0.0003555900000000 ] - [ -0.0001733400000000, 0.0003323400000000, -0.0003424300000000 ] - [ 0.0003088900000000, -0.0002557700000000, 0.0000475600000000 ] - [ -0.0005310000000000, 0.0000819200000000, -0.0000475700000000 ] - [ -0.0026487400000000, -0.0009866100000000, 0.0005887700000000 ] - [ -0.0000747300000000, 0.0004147100000000, 0.0000678300000000 ] - [ -0.0005543000000000, -0.0004413900000000, 0.0002546200000000 ] - [ 0.0007408700000000, -0.0000389800000000, 0.0001357100000000 ] - [ -0.0002664900000000, -0.0004865900000000, 0.0001112600000000 ] - [ -0.0002432000000000, 0.0005539600000000, 0.0001347100000000 ] - [ -0.0001390800000000, -0.0005086200000000, 0.0003534500000000 ] - [ -0.0011620800000000, -0.0009114000000000, -0.0021376500000000 ] - [ -0.0004421600000000, 0.0002717900000000, -0.0001394400000000 ] - [ -0.0000908300000000, -0.0003192500000000, 0.0002034600000000 ] - [ -0.0003267500000000, 0.0003994400000000, -0.0001798000000000 ] - [ 0.0002947800000000, -0.0000123600000000, 0.0001417500000000 ] - [ -0.0000277800000000, -0.0000961500000000, -0.0002216800000000 ] - [ -0.0000342300000000, 0.0000491400000000, -0.0001989000000000 ] - [ 0.0000214500000000, 0.0000209700000000, -0.0002308000000000 ] - [ 0.0000501800000000, 0.0000421100000000, 0.0000658400000000 ] - [ 0.0000057500000000, -0.0000185700000000, 0.0000667600000000 ] - [ -0.0000497600000000, 0.0000107800000000, 0.0000804400000000 ] - [ -0.0000015800000000, -0.0003319900000000, -0.0002225000000000 ] - [ -0.0002832700000000, 0.0001559200000000, -0.0002224300000000 ] - [ 0.0002795800000000, 0.0001806300000000, -0.0002209500000000 ] - [ 0.0000026800000000, 0.0003142500000000, 0.0000845700000000 ] - [ 0.0002663400000000, -0.0001499500000000, 0.0000820300000000 ] - [ -0.0002619000000000, -0.0001678300000000, 0.0000830800000000 ] - [ -0.0006267200000000, -0.0002859500000000, -0.0003269000000000 ] - [ 0.0000653500000000, 0.0006936500000000, -0.0003154800000000 ] - [ 0.0005696400000000, -0.0004018500000000, -0.0003202200000000 ] - [ 0.0006209100000000, 0.0002964200000000, 0.0001771000000000 ] - [ -0.0000610600000000, -0.0006873800000000, 0.0001672300000000 ] - [ -0.0005648100000000, 0.0003898600000000, 0.0001793600000000 ] - [ 0.0001838000000000, 0.0002898400000000, -0.0002427400000000 ] - [ 0.0001626600000000, -0.0003004800000000, -0.0002363600000000 ] - [ -0.0003499300000000, 0.0000072700000000, -0.0002421100000000 ] - [ -0.0001967600000000, -0.0002807800000000, 0.0000561300000000 ] - [ -0.0001465500000000, 0.0003141500000000, 0.0000576900000000 ] - [ 0.0003429800000000, -0.0000314500000000, 0.0000593200000000 ] - [ -0.0000136200000000, 0.0000808300000000, -0.0002138600000000 ] - [ 0.0000776200000000, -0.0000304400000000, -0.0002065600000000 ] - [ -0.0000309200000000, -0.0000633700000000, -0.0002434500000000 ] - [ -0.0003102200000000, 0.0017769400000000, 0.0000714600000000 ] - [ 0.0000561600000000, 0.0000442700000000, 0.0001374600000000 ] - [ 0.0214954900000000, -0.0120667300000000, 0.0266331200000000 ] - [ 0.0002351800000000, -0.0004290700000000, -0.0002397600000000 ] - [ -0.0004259500000000, 0.0004851300000000, -0.0003902900000000 ] - [ 0.0000777300000000, -0.0001992300000000, 0.0001244300000000 ] - [ -0.0001523700000000, 0.0004540600000000, 0.0001098600000000 ] - [ 0.0003634200000000, -0.0003369900000000, 0.0002480400000000 ] - [ -0.0004005600000000, -0.0002358300000000, 0.0001199700000000 ] - [ -0.0006303500000000, -0.0000189400000000, -0.0002749300000000 ] - [ 0.0003238000000000, 0.0004949500000000, -0.0002953800000000 ] - [ 0.0003134900000000, -0.0005668500000000, -0.0002820300000000 ] - [ 0.0004548500000000, 0.0005567100000000, 0.0006297200000000 ] - [ 0.0006124200000000, 0.0001264200000000, 0.0002295000000000 ] - [ -0.0008544000000000, 0.0012273200000000, -0.0022614100000000 ] - [ 0.0001554100000000, 0.0003156500000000, -0.0001843500000000 ] - [ 0.0000725900000000, -0.0003570200000000, -0.0002345900000000 ] - [ -0.0002167900000000, -0.0000211800000000, -0.0004320700000000 ] - [ -0.0002177500000000, 0.0003700100000000, 0.0004596200000000 ] - [ 0.0000032600000000, 0.0003772600000000, 0.0001684300000000 ] - [ -0.0005286900000000, -0.0000169900000000, -0.0005380800000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000033400000000, -0.0000193400000000, -0.0006211600000000 ] - [ 0.0000616700000000, -0.0000132000000000, 0.0008378200000000 ] - [ -0.0007869000000000, -0.0029693000000000, 0.0009822000000000 ] - [ -0.0000178500000000, -0.0000012300000000, 0.0000133200000000 ] - [ 0.0000009300000000, -0.0000021400000000, -0.0006333800000000 ] - [ 0.0000010800000000, 0.0000003800000000, 0.0004073400000000 ] - [ -0.0000046300000000, 0.0000003100000000, -0.0002175400000000 ] - [ -0.0000006700000000, 0.0000007800000000, 0.0000029300000000 ] - [ 0.0001019700000000, -0.0000181900000000, -0.0004657400000000 ] - [ 0.0000030900000000, 0.0000133700000000, 0.0004077700000000 ] - [ -0.0000236100000000, 0.0000551300000000, -0.0002375200000000 ] - [ -0.0000956000000000, -0.0003381100000000, -0.0000671700000000 ] - [ -0.0000667500000000, -0.0000424200000000, 0.0000630600000000 ] - [ -0.0000445200000000, 0.0003469900000000, -0.0004416600000000 ] - [ 0.0001425700000000, 0.0140183600000000, -0.0753896100000000 ] - [ 0.0000867900000000, 0.0000436800000000, -0.0002769000000000 ] - [ -0.0000182200000000, 0.0000901900000000, -0.0002788800000000 ] - [ -0.0000077900000000, 0.0002187900000000, -0.0004095100000000 ] - [ 0.0002203900000000, -0.0000830900000000, -0.0004414800000000 ] - [ -0.0001867000000000, -0.0001557300000000, -0.0004405100000000 ] - [ 0.0002972700000000, -0.0003504600000000, 0.0001674100000000 ] - [ -0.0005940400000000, 0.0000178700000000, 0.0003343500000000 ] - [ -0.0000460400000000, 0.0006947900000000, 0.0003169100000000 ] - [ -0.0009721500000000, 0.0004632500000000, -0.0003612900000000 ] - [ 0.0004040800000000, 0.0000366400000000, -0.0001102800000000 ] - [ -0.0002289300000000, 0.0000686700000000, 0.0001286500000000 ] - [ 0.0000605800000000, 0.0001822300000000, -0.0001446100000000 ] - [ 0.0001135100000000, -0.0001242700000000, -0.0001267200000000 ] - [ -0.0001848000000000, -0.0000444100000000, -0.0001320300000000 ] - [ 0.0007138800000000, -0.0004857300000000, 0.0001927100000000 ] - [ -0.0002145500000000, 0.0000379400000000, -0.0004294100000000 ] - [ 0.0000135500000000, -0.0002300700000000, -0.0000956500000000 ] - [ 0.0004760900000000, -0.0002436700000000, 0.0009384300000000 ] - [ -0.0001363300000000, 0.0001507300000000, 0.0002226400000000 ] - [ 0.0002021600000000, 0.0001176300000000, 0.0003952400000000 ] - [ 0.0003389300000000, 0.0000548800000000, -0.0000556900000000 ] - [ 0.0006156200000000, 0.0001684400000000, 0.0000222300000000 ] - [ -0.0003501400000000, -0.0001040700000000, -0.0002744700000000 ] - [ -0.0011891300000000, 0.0004984500000000, -0.0001853000000000 ] - [ 0.0045342600000000, -0.0000747600000000, -0.0002593700000000 ] - [ 0.0003070200000000, -0.0006654000000000, -0.0005381900000000 ] - [ 0.0007956200000000, -0.0002235800000000, 0.0000262400000000 ] - [ -0.0005332100000000, -0.0005665000000000, 0.0002887300000000 ] - [ -0.0002084800000000, 0.0008613100000000, 0.0000789700000000 ] - [ -0.0000020000000000, -0.0004334400000000, 0.0001381700000000 ] - [ -0.0002703400000000, 0.0002379300000000, 0.0000916000000000 ] - [ 0.0003091000000000, 0.0001273900000000, 0.0000863000000000 ] - [ 0.0016672400000000, 0.0026659300000000, 0.0014384800000000 ] - [ 0.0001708700000000, -0.0001847000000000, -0.0002801800000000 ] - [ 0.0000758600000000, -0.0001652500000000, 0.0001636500000000 ] - [ -0.0000005900000000, -0.0000035900000000, 0.0000534100000000 ] - [ 0.0000046100000000, 0.0000067600000000, 0.0002049100000000 ] - [ 0.0001207900000000, -0.0003234800000000, 0.0007430300000000 ] - [ -0.0003292200000000, 0.0000550900000000, 0.0007369100000000 ] - [ 0.0002340700000000, 0.0002806900000000, 0.0007787000000000 ] - [ -0.0000260400000000, 0.0002381400000000, -0.0004140800000000 ] - [ 0.0002303200000000, -0.0000924000000000, -0.0004226700000000 ] - [ -0.0002027500000000, -0.0001561700000000, -0.0004219600000000 ] - [ 0.0003312000000000, -0.0003469000000000, 0.0002639800000000 ] - [ -0.0004648600000000, -0.0001127700000000, 0.0002626200000000 ] - [ 0.0001347300000000, 0.0004591900000000, 0.0002611000000000 ] - [ -0.0002573900000000, 0.0002696700000000, 0.0000094700000000 ] - [ 0.0003599000000000, 0.0000857200000000, 0.0000097300000000 ] - [ -0.0001039500000000, -0.0003585300000000, 0.0000099700000000 ] - [ 0.0000567700000000, 0.0001796700000000, -0.0001342900000000 ] - [ 0.0001239600000000, -0.0001243500000000, -0.0001460800000000 ] - [ -0.0001697600000000, -0.0000224800000000, -0.0001408500000000 ] - [ -0.0001039100000000, -0.0002054200000000, 0.0004411300000000 ] - [ -0.0001560100000000, 0.0001730900000000, 0.0004272300000000 ] - [ 0.0002208300000000, 0.0000135300000000, 0.0004362200000000 ] - [ -0.0000666800000000, -0.0002017500000000, 0.0004356400000000 ] - [ -0.0001402100000000, 0.0001574600000000, 0.0004367300000000 ] - [ 0.0002032000000000, 0.0000478800000000, 0.0004404400000000 ] - [ 0.0000329600000000, 0.0001794900000000, -0.0000993500000000 ] - [ 0.0001394300000000, -0.0001159800000000, -0.0000983800000000 ] - [ -0.0001686600000000, -0.0000629400000000, -0.0000984300000000 ] - [ -0.0008810500000000, 0.0002494600000000, 0.0002797500000000 ] - [ 0.0006422000000000, 0.0006368100000000, 0.0002779500000000 ] - [ 0.0002375600000000, -0.0008811500000000, 0.0002807800000000 ] - [ 0.0008359400000000, -0.0002359800000000, 0.0000768000000000 ] - [ -0.0006218700000000, -0.0006132000000000, 0.0000656700000000 ] - [ -0.0002207300000000, 0.0008460700000000, 0.0000664500000000 ] - [ -0.0000991700000000, -0.0003829900000000, 0.0001588200000000 ] - [ -0.0002828900000000, 0.0002783100000000, 0.0001621000000000 ] - [ 0.0003841400000000, 0.0001080100000000, 0.0001594000000000 ] - [ -0.0000331200000000, 0.0004001200000000, 0.0001527400000000 ] - [ 0.0003643900000000, -0.0001707300000000, 0.0001491700000000 ] - [ -0.0003345600000000, -0.0002339300000000, 0.0001554800000000 ] - [ 0.0000616100000000, -0.0004601100000000, -0.0004320200000000 ] - [ 0.0000007800000000, 0.0000382000000000, 0.0001852700000000 ] - [ 0.0001115600000000, -0.0003012000000000, 0.0007406100000000 ] - [ -0.0003524400000000, 0.0000380800000000, 0.0007766000000000 ] - [ 0.0002141600000000, 0.0002491800000000, 0.0007324900000000 ] - [ -0.0001804100000000, 0.0003875400000000, -0.0010085900000000 ] - [ 0.0028890200000000, -0.0000429900000000, 0.0002661800000000 ] - [ -0.0020914600000000, 0.0020302600000000, 0.0002622000000000 ] - [ 0.0003589700000000, -0.0003489300000000, 0.0002187400000000 ] - [ -0.0003350300000000, 0.0000856200000000, 0.0002980600000000 ] - [ 0.0000290700000000, 0.0005514300000000, 0.0002256000000000 ] - [ -0.0002241600000000, 0.0003292100000000, 0.0000475000000000 ] - [ 0.0003114200000000, 0.0000371900000000, -0.0000455700000000 ] - [ -0.0000571500000000, -0.0004372200000000, -0.0000198100000000 ] - [ 0.0000562300000000, 0.0001953900000000, -0.0007577600000000 ] - [ 0.0004920500000000, -0.0001819600000000, -0.0009172900000000 ] - [ -0.0017784600000000, -0.0002795100000000, -0.0006682300000000 ] - [ -0.0000885200000000, -0.0002087200000000, 0.0004340700000000 ] - [ -0.0001511500000000, 0.0001784400000000, 0.0004279400000000 ] - [ 0.0002347100000000, 0.0000272000000000, 0.0004361800000000 ] - [ -0.0001680900000000, -0.0001593600000000, 0.0003302100000000 ] - [ -0.0001957300000000, 0.0000182200000000, 0.0010305500000000 ] - [ 0.0002414900000000, 0.0000413000000000, 0.0003458200000000 ] - [ 0.0000509500000000, 0.0001705700000000, -0.0002262000000000 ] - [ 0.0003309500000000, -0.0001229900000000, 0.0000468200000000 ] - [ -0.0002364400000000, 0.0000563700000000, -0.0001685100000000 ] - [ -0.0008588400000000, 0.0002691400000000, 0.0002825900000000 ] - [ 0.0006324100000000, 0.0006220000000000, 0.0002506300000000 ] - [ 0.0002289100000000, -0.0008348500000000, 0.0003318700000000 ] - [ 0.0008264900000000, 0.0000339700000000, -0.0003934200000000 ] - [ -0.0007273100000000, -0.0007397800000000, -0.0004147800000000 ] - [ 0.0016262800000000, -0.0016626500000000, 0.0047368300000000 ] - [ -0.0001413900000000, -0.0006843400000000, 0.0000753100000000 ] - [ -0.0002081200000000, 0.0001688900000000, 0.0000694000000000 ] - [ 0.0001733100000000, 0.0001695500000000, 0.0000788900000000 ] - [ -0.0000193900000000, 0.0004037700000000, 0.0001478700000000 ] - [ 0.0003350900000000, -0.0001206600000000, 0.0001622800000000 ] - [ -0.0003260700000000, -0.0001881800000000, 0.0000858600000000 ] - [ -0.0010914600000000, -0.0003030200000000, 0.0017415300000000 ] - [ -0.0287799200000000, 0.0051098700000000, 0.0264402700000000 ] - [ 0.0000304200000000, -0.0001234000000000, 0.0006389500000000 ] - [ 0.0000526500000000, -0.0001069900000000, -0.0000343500000000 ] - [ -0.0001776100000000, 0.0000927900000000, -0.0001149200000000 ] - [ 0.0000910600000000, 0.0001180600000000, -0.0000763700000000 ] - [ 0.0000626600000000, -0.0005833300000000, -0.0001263600000000 ] - [ -0.0004696300000000, 0.0003002800000000, -0.0004931400000000 ] - [ 0.0007922300000000, -0.0001158500000000, -0.0002579500000000 ] - [ 0.0004795100000000, -0.0002186400000000, -0.0008374500000000 ] - [ 0.0005173100000000, -0.0002361300000000, 0.0005942200000000 ] - [ -0.0004220200000000, 0.0000673600000000, 0.0000693700000000 ] - [ -0.0018167100000000, -0.0007895900000000, 0.0010636800000000 ] - [ 0.0000554500000000, 0.0006496500000000, 0.0017536700000000 ] - [ 0.0002375500000000, -0.0010809400000000, 0.0006030400000000 ] - [ 0.0007152300000000, 0.0000051100000000, -0.0000308500000000 ] - [ -0.0002987200000000, -0.0005399800000000, -0.0000068000000000 ] - [ -0.0002444200000000, 0.0005458200000000, -0.0000015500000000 ] - [ 0.0000480100000000, 0.0000352400000000, -0.0000860700000000 ] - [ -0.0011620600000000, -0.0004616700000000, -0.0013693200000000 ] - [ -0.0003083100000000, -0.0000028900000000, 0.0003303000000000 ] - [ -0.0001501000000000, -0.0002295400000000, -0.0000216300000000 ] - [ -0.0005421800000000, 0.0004172300000000, -0.0002189000000000 ] - [ 0.0003473400000000, -0.0002856700000000, -0.0000098300000000 ] - [ -0.0000266500000000, -0.0001293200000000, -0.0003795700000000 ] - [ -0.0000585800000000, 0.0000651900000000, -0.0003447400000000 ] - [ 0.0000463800000000, 0.0000396300000000, -0.0003587800000000 ] - [ 0.0000703000000000, 0.0000252100000000, -0.0000783200000000 ] - [ -0.0000241900000000, -0.0000157000000000, -0.0000706300000000 ] - [ -0.0000233600000000, 0.0000287900000000, -0.0000701900000000 ] - [ 0.0000031300000000, -0.0003485100000000, -0.0003600000000000 ] - [ -0.0003027600000000, 0.0001649800000000, -0.0003623900000000 ] - [ 0.0002958900000000, 0.0001926600000000, -0.0003598100000000 ] - [ 0.0000015200000000, 0.0002913100000000, -0.0000553100000000 ] - [ 0.0002495200000000, -0.0001428400000000, -0.0000555100000000 ] - [ -0.0002445700000000, -0.0001559400000000, -0.0000578100000000 ] - [ -0.0006297600000000, -0.0002812600000000, -0.0004809300000000 ] - [ 0.0000701500000000, 0.0006847900000000, -0.0004700900000000 ] - [ 0.0005693700000000, -0.0004189200000000, -0.0004560900000000 ] - [ 0.0006180600000000, 0.0003026100000000, 0.0000299400000000 ] - [ -0.0000489900000000, -0.0006817000000000, 0.0000246500000000 ] - [ -0.0005673000000000, 0.0003862600000000, 0.0000234700000000 ] - [ 0.0001632500000000, 0.0003006000000000, -0.0004259100000000 ] - [ 0.0001805300000000, -0.0002907900000000, -0.0004207300000000 ] - [ -0.0003497400000000, -0.0000151100000000, -0.0004209400000000 ] - [ -0.0002135900000000, -0.0002674000000000, -0.0001274900000000 ] - [ -0.0001268700000000, 0.0003245300000000, -0.0001229700000000 ] - [ 0.0003437800000000, -0.0000536500000000, -0.0001223000000000 ] - [ -0.0000093200000000, 0.0000308500000000, -0.0003671500000000 ] - [ 0.0000548900000000, -0.0000306700000000, -0.0003470600000000 ] - [ -0.0000297900000000, -0.0000424700000000, -0.0003838100000000 ] - [ 0.0003580700000000, -0.0008829600000000, 0.0019104000000000 ] - [ 0.0000067200000000, 0.0000196500000000, 0.0006453400000000 ] - [ 0.0259525300000000, -0.0159571200000000, 0.0375343200000000 ] - [ 0.0003339000000000, -0.0002111200000000, -0.0003455400000000 ] - [ -0.0004336700000000, 0.0003345200000000, -0.0003639100000000 ] - [ 0.0003403400000000, -0.0000099700000000, -0.0003466600000000 ] - [ -0.0001837300000000, 0.0005183000000000, -0.0000564000000000 ] - [ 0.0003176600000000, -0.0003089200000000, -0.0000062400000000 ] - [ -0.0003211300000000, -0.0002036400000000, 0.0001112000000000 ] - [ -0.0006228100000000, -0.0000288900000000, -0.0004046300000000 ] - [ 0.0003187200000000, 0.0005034400000000, -0.0004345000000000 ] - [ 0.0002921500000000, -0.0005850100000000, -0.0004438800000000 ] - [ 0.0007228300000000, 0.0003140200000000, 0.0009982200000000 ] - [ 0.0003707100000000, 0.0008582600000000, 0.0009966900000000 ] - [ -0.0004782600000000, 0.0007286900000000, 0.0005270500000000 ] - [ 0.0001922100000000, 0.0001645400000000, -0.0004175700000000 ] - [ 0.0001470700000000, -0.0003067000000000, -0.0003725800000000 ] - [ -0.0002652300000000, -0.0001078100000000, -0.0006363700000000 ] - [ -0.0001767800000000, -0.0004822800000000, -0.0000555400000000 ] - [ -0.0000219900000000, 0.0005064300000000, 0.0003532500000000 ] - [ -0.0014198400000000, -0.0000718100000000, -0.0008870900000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000010400000000, 0.0000177500000000, -0.0004243600000000 ] - [ -0.0000592000000000, 0.0000169000000000, 0.0002101800000000 ] - [ 0.0007782000000000, 0.0029368900000000, -0.0012095700000000 ] - [ 0.0000156000000000, 0.0000012200000000, 0.0002121500000000 ] - [ -0.0000001200000000, 0.0000014200000000, -0.0004141200000000 ] - [ -0.0000018600000000, 0.0000005000000000, 0.0006393300000000 ] - [ 0.0000052900000000, 0.0000013600000000, -0.0000090800000000 ] - [ -0.0000000100000000, -0.0000023600000000, 0.0002229900000000 ] - [ -0.0001020700000000, 0.0000164800000000, -0.0005801600000000 ] - [ -0.0000055400000000, -0.0000116600000000, 0.0006371100000000 ] - [ 0.0000260700000000, -0.0000556400000000, 0.0000118400000000 ] - [ 0.0000943600000000, 0.0003349700000000, 0.0002936100000000 ] - [ 0.0000666400000000, 0.0000421200000000, -0.0001773600000000 ] - [ 0.0000410600000000, -0.0003462100000000, 0.0005872000000000 ] - [ 0.0001926900000000, -0.0150618200000000, 0.0777439100000000 ] - [ -0.0006553100000000, 0.0001115100000000, 0.0014285100000000 ] - [ 0.0004347500000000, 0.0003310000000000, 0.0014269000000000 ] - [ -0.0001427200000000, 0.0003229000000000, -0.0007456400000000 ] - [ 0.0003232500000000, -0.0000582900000000, -0.0007134700000000 ] - [ -0.0002066100000000, -0.0002458500000000, -0.0007122800000000 ] - [ 0.0003148900000000, -0.0002808600000000, 0.0000731300000000 ] - [ -0.0002595700000000, -0.0002305300000000, -0.0000919300000000 ] - [ 0.0002836800000000, 0.0001605800000000, -0.0000757200000000 ] - [ 0.0003751000000000, 0.0001537200000000, 0.0000956800000000 ] - [ 0.0004294900000000, 0.0001669600000000, -0.0001523100000000 ] - [ -0.0000133200000000, -0.0008866100000000, -0.0003827600000000 ] - [ 0.0000816700000000, 0.0002155900000000, -0.0004178900000000 ] - [ 0.0001595300000000, -0.0001948600000000, -0.0004354500000000 ] - [ -0.0002217900000000, -0.0000205600000000, -0.0004336000000000 ] - [ -0.0008050400000000, 0.0000764300000000, 0.0004056300000000 ] - [ -0.0000691100000000, 0.0002371400000000, 0.0010059500000000 ] - [ 0.0003625800000000, 0.0003246100000000, 0.0006780700000000 ] - [ -0.0006270700000000, -0.0001798500000000, -0.0003893400000000 ] - [ -0.0001463500000000, 0.0001945100000000, 0.0003160100000000 ] - [ 0.0002359100000000, -0.0000409400000000, 0.0001445600000000 ] - [ -0.0002207900000000, 0.0003745100000000, -0.0004760000000000 ] - [ -0.0002946200000000, -0.0004775500000000, -0.0005559600000000 ] - [ -0.0000765100000000, -0.0000200400000000, -0.0002622400000000 ] - [ -0.0005344200000000, -0.0000053200000000, 0.0003876800000000 ] - [ -0.0032694100000000, 0.0013354900000000, 0.0004380200000000 ] - [ 0.0001375700000000, -0.0010654100000000, 0.0007430400000000 ] - [ 0.0008832700000000, -0.0002587600000000, -0.0002503400000000 ] - [ -0.0007205300000000, -0.0006405900000000, -0.0005076600000000 ] - [ -0.0002144100000000, 0.0008280400000000, -0.0003026800000000 ] - [ -0.0000612700000000, -0.0002967700000000, -0.0001272100000000 ] - [ -0.0003311000000000, 0.0001825700000000, -0.0000801800000000 ] - [ 0.0003602500000000, 0.0001871500000000, -0.0000752400000000 ] - [ -0.0015971500000000, -0.0018963000000000, -0.0014551700000000 ] - [ 0.0004604400000000, -0.0002353700000000, 0.0002546400000000 ] - [ -0.0007573200000000, -0.0001742500000000, -0.0001883900000000 ] - [ 0.0000012300000000, 0.0000038400000000, -0.0001979700000000 ] - [ -0.0000051500000000, -0.0000069100000000, -0.0000594400000000 ] - [ 0.0000341800000000, -0.0002429200000000, 0.0004183700000000 ] - [ -0.0002370800000000, 0.0000950200000000, 0.0004247800000000 ] - [ 0.0001788900000000, 0.0001375200000000, 0.0003811200000000 ] - [ -0.0001292000000000, 0.0003284100000000, -0.0007466100000000 ] - [ 0.0003350800000000, -0.0000582100000000, -0.0007372300000000 ] - [ -0.0002097800000000, -0.0002617100000000, -0.0007361300000000 ] - [ 0.0002572800000000, -0.0002716300000000, -0.0000128000000000 ] - [ -0.0003629000000000, -0.0000850000000000, -0.0000108300000000 ] - [ 0.0001070300000000, 0.0003586200000000, -0.0000119200000000 ] - [ -0.0003309400000000, 0.0003486300000000, -0.0002592400000000 ] - [ 0.0004672700000000, 0.0001118300000000, -0.0002607800000000 ] - [ -0.0001377400000000, -0.0004594100000000, -0.0002586200000000 ] - [ 0.0000853500000000, 0.0001993200000000, -0.0004339700000000 ] - [ 0.0001339300000000, -0.0001857700000000, -0.0004226200000000 ] - [ -0.0002203200000000, -0.0000327200000000, -0.0004315300000000 ] - [ -0.0000382700000000, -0.0001742300000000, 0.0001283200000000 ] - [ -0.0001013900000000, 0.0001371200000000, 0.0001426900000000 ] - [ 0.0001696200000000, 0.0000417400000000, 0.0001372300000000 ] - [ -0.0000310100000000, -0.0001782300000000, 0.0001000000000000 ] - [ -0.0001399500000000, 0.0001139000000000, 0.0001007500000000 ] - [ 0.0001680200000000, 0.0000623200000000, 0.0000962600000000 ] - [ 0.0000643700000000, 0.0002006600000000, -0.0004350400000000 ] - [ 0.0001406300000000, -0.0001552600000000, -0.0004379100000000 ] - [ -0.0002022600000000, -0.0000467800000000, -0.0004373600000000 ] - [ -0.0008474600000000, 0.0002235200000000, -0.0000709700000000 ] - [ 0.0006274700000000, 0.0006182600000000, -0.0000689600000000 ] - [ 0.0002186100000000, -0.0008442600000000, -0.0000715500000000 ] - [ 0.0008925500000000, -0.0002366400000000, -0.0002842000000000 ] - [ -0.0006477400000000, -0.0006417000000000, -0.0002733500000000 ] - [ -0.0002352200000000, 0.0008792500000000, -0.0002744000000000 ] - [ 0.0000312800000000, -0.0004018400000000, -0.0001502500000000 ] - [ -0.0003643800000000, 0.0001721900000000, -0.0001532200000000 ] - [ 0.0003355800000000, 0.0002302700000000, -0.0001489600000000 ] - [ 0.0001005000000000, 0.0003848700000000, -0.0001600200000000 ] - [ 0.0002834800000000, -0.0002794100000000, -0.0001564900000000 ] - [ -0.0003846000000000, -0.0001045600000000, -0.0001650500000000 ] - [ -0.0000609300000000, 0.0004589300000000, 0.0002867200000000 ] - [ -0.0000016600000000, -0.0000385500000000, -0.0000701500000000 ] - [ 0.0000392500000000, -0.0002408600000000, 0.0004159000000000 ] - [ -0.0001908400000000, 0.0001037500000000, 0.0003791500000000 ] - [ 0.0001790500000000, 0.0001535200000000, 0.0004205000000000 ] - [ 0.0000235700000000, 0.0001847400000000, -0.0001465500000000 ] - [ -0.0023329200000000, -0.0001123000000000, -0.0014232600000000 ] - [ 0.0016888100000000, -0.0024755200000000, -0.0014272100000000 ] - [ 0.0002352100000000, -0.0002699100000000, 0.0000393700000000 ] - [ -0.0004949000000000, -0.0002848600000000, -0.0000372400000000 ] - [ 0.0002123100000000, 0.0002707400000000, 0.0000296900000000 ] - [ -0.0003887400000000, 0.0003022700000000, -0.0002876900000000 ] - [ 0.0005423200000000, 0.0001769200000000, -0.0001960900000000 ] - [ -0.0001829400000000, -0.0004117100000000, -0.0002180800000000 ] - [ 0.0000476000000000, 0.0001933600000000, 0.0001769600000000 ] - [ -0.0002057700000000, -0.0000968800000000, 0.0003362200000000 ] - [ 0.0014093300000000, 0.0001900100000000, 0.0000884300000000 ] - [ -0.0000536400000000, -0.0001894000000000, 0.0001293700000000 ] - [ -0.0001222900000000, 0.0001412700000000, 0.0001352700000000 ] - [ 0.0001719500000000, 0.0000377300000000, 0.0001305400000000 ] - [ 0.0000544800000000, -0.0002728000000000, 0.0002033000000000 ] - [ -0.0001204600000000, 0.0002951200000000, -0.0005034800000000 ] - [ 0.0001828800000000, 0.0000810500000000, 0.0001910100000000 ] - [ 0.0001082900000000, 0.0002501400000000, -0.0003108000000000 ] - [ -0.0000504400000000, -0.0002235200000000, -0.0005870400000000 ] - [ -0.0002012000000000, -0.0001318700000000, -0.0003707300000000 ] - [ -0.0008203000000000, 0.0002131100000000, -0.0000580300000000 ] - [ 0.0006229600000000, 0.0005860900000000, -0.0000257900000000 ] - [ 0.0001935700000000, -0.0008549700000000, -0.0001066900000000 ] - [ 0.0009032600000000, -0.0005282900000000, 0.0001870200000000 ] - [ -0.0005560600000000, -0.0005073200000000, 0.0002067700000000 ] - [ -0.0020747800000000, 0.0034311200000000, -0.0050310700000000 ] - [ 0.0000924000000000, -0.0000663900000000, -0.0000533700000000 ] - [ -0.0004246400000000, 0.0002511200000000, -0.0000442900000000 ] - [ 0.0005071100000000, 0.0001700100000000, -0.0000536600000000 ] - [ 0.0000837100000000, 0.0003249900000000, -0.0001578100000000 ] - [ 0.0002670400000000, -0.0003003200000000, -0.0001728800000000 ] - [ -0.0003431900000000, -0.0001256500000000, -0.0000975900000000 ] - [ 0.0006209900000000, 0.0003616800000000, -0.0019032200000000 ] - [ 0.0298485800000000, -0.0048998600000000, -0.0268763700000000 ] - [ 0.0001440900000000, -0.0002834900000000, -0.0008031900000000 ] - [ -0.0000090500000000, -0.0000475600000000, 0.0003335800000000 ] - [ 0.0000118700000000, -0.0000443000000000, 0.0004076600000000 ] - [ 0.0000242500000000, 0.0000217700000000, 0.0003727400000000 ] - [ 0.0000091800000000, -0.0003911500000000, -0.0002837900000000 ] - [ -0.0003954100000000, 0.0001415300000000, 0.0000756100000000 ] - [ 0.0000343200000000, 0.0006356300000000, -0.0001525700000000 ] - [ -0.0003392400000000, 0.0009728600000000, 0.0011147000000000 ] - [ 0.0000561400000000, -0.0002338900000000, -0.0003034000000000 ] - [ -0.0002838300000000, -0.0003176000000000, 0.0002202600000000 ] - [ 0.0005521100000000, 0.0004553600000000, -0.0016037900000000 ] - [ 0.0002979000000000, 0.0006252700000000, -0.0022837700000000 ] - [ 0.0006829100000000, 0.0001357200000000, -0.0011377000000000 ] - [ 0.0005305000000000, -0.0000173700000000, 0.0004527700000000 ] - [ -0.0003300900000000, -0.0005276900000000, 0.0004300500000000 ] - [ -0.0003674500000000, 0.0005429200000000, 0.0004226900000000 ] - [ 0.0003515500000000, 0.0002858900000000, -0.0002800600000000 ] - [ 0.0012169600000000, -0.0000375900000000, 0.0009882500000000 ] - [ -0.0001673100000000, 0.0001826800000000, -0.0006996100000000 ] - [ -0.0002678200000000, -0.0001993000000000, 0.0004025200000000 ] - [ 0.0003801600000000, 0.0001382400000000, 0.0006034100000000 ] - [ 0.0002173100000000, 0.0001368900000000, 0.0003944600000000 ] - [ -0.0000142100000000, 0.0000518700000000, 0.0000924700000000 ] - [ 0.0000060200000000, 0.0000069300000000, 0.0000627700000000 ] - [ 0.0000424400000000, -0.0000410900000000, 0.0000736600000000 ] - [ -0.0000296400000000, 0.0000508000000000, 0.0003637400000000 ] - [ 0.0000768300000000, -0.0000560600000000, 0.0003509600000000 ] - [ -0.0000657400000000, -0.0000267800000000, 0.0003536800000000 ] - [ 0.0000003400000000, -0.0002925600000000, 0.0000549000000000 ] - [ -0.0002505100000000, 0.0001396100000000, 0.0000579100000000 ] - [ 0.0002452800000000, 0.0001587800000000, 0.0000536000000000 ] - [ -0.0000048100000000, 0.0003496100000000, 0.0003589700000000 ] - [ 0.0003033700000000, -0.0001605900000000, 0.0003584100000000 ] - [ -0.0002966800000000, -0.0001952500000000, 0.0003626200000000 ] - [ -0.0006270100000000, -0.0003036300000000, -0.0000126000000000 ] - [ 0.0000546200000000, 0.0006822000000000, -0.0000255500000000 ] - [ 0.0005632000000000, -0.0003766100000000, -0.0000360900000000 ] - [ 0.0006387100000000, 0.0002827000000000, 0.0004619700000000 ] - [ -0.0000755100000000, -0.0006852800000000, 0.0004694500000000 ] - [ -0.0005654100000000, 0.0004087700000000, 0.0004671900000000 ] - [ 0.0002175600000000, 0.0002763000000000, 0.0001295600000000 ] - [ 0.0001266900000000, -0.0003267500000000, 0.0001239100000000 ] - [ -0.0003406700000000, 0.0000553500000000, 0.0001235800000000 ] - [ -0.0001673700000000, -0.0003094000000000, 0.0004219300000000 ] - [ -0.0001799100000000, 0.0002932500000000, 0.0004179800000000 ] - [ 0.0003468200000000, 0.0000132400000000, 0.0004175900000000 ] - [ -0.0000340200000000, 0.0001236000000000, 0.0000665600000000 ] - [ 0.0001095900000000, -0.0000163300000000, 0.0000516200000000 ] - [ -0.0000848100000000, -0.0000964800000000, 0.0000863000000000 ] - [ 0.0001028200000000, 0.0008194900000000, -0.0017430900000000 ] - [ -0.0002774300000000, -0.0003695900000000, -0.0004805900000000 ] - [ -0.0271160300000000, 0.0169636300000000, -0.0381842100000000 ] - [ -0.0004735600000000, -0.0005420300000000, 0.0000631800000000 ] - [ -0.0001436600000000, 0.0001373000000000, 0.0000805000000000 ] - [ 0.0003661100000000, 0.0002603900000000, 0.0000588900000000 ] - [ 0.0001125100000000, 0.0004547300000000, 0.0004701700000000 ] - [ 0.0005465600000000, -0.0001317400000000, 0.0004214700000000 ] - [ -0.0005010800000000, -0.0003199800000000, 0.0003045900000000 ] - [ -0.0006213700000000, 0.0000412700000000, -0.0000190400000000 ] - [ 0.0003104400000000, 0.0005647200000000, 0.0000092200000000 ] - [ 0.0003206400000000, -0.0005031800000000, 0.0000209500000000 ] - [ 0.0005471600000000, 0.0000183200000000, -0.0004567500000000 ] - [ -0.0007214100000000, -0.0021327600000000, -0.0004627700000000 ] - [ -0.0004490000000000, 0.0002162200000000, -0.0000069300000000 ] - [ 0.0002251500000000, 0.0002640600000000, 0.0000344600000000 ] - [ 0.0000088100000000, -0.0002479600000000, -0.0000126700000000 ] - [ -0.0002986700000000, 0.0002578300000000, 0.0002519000000000 ] - [ -0.0002228500000000, 0.0001620500000000, 0.0004254200000000 ] - [ -0.0000530100000000, -0.0000023800000000, 0.0000187900000000 ] - [ 0.0019096200000000, -0.0001041800000000, 0.0012593400000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000216584, 0.0000000000000000 ] forces: - [ 0.0007072400000000, 0.0006219200000000, -0.0004104500000000 ] - [ 0.0003776400000000, -0.0001965000000000, 0.0003849800000000 ] - [ -0.0003421500000000, 0.0001051200000000, 0.0001723200000000 ] - [ 0.0001256000000000, 0.0002369200000000, 0.0003363400000000 ] - [ -0.0000036600000000, -0.0000016000000000, -0.0005492900000000 ] - [ -0.0000641800000000, 0.0000062700000000, 0.0005022800000000 ] - [ 0.0000361400000000, 0.0000094600000000, -0.0001312600000000 ] - [ 0.0000025000000000, -0.0000033600000000, 0.0000869400000000 ] - [ 0.0000009900000000, 0.0000008700000000, -0.0005452500000000 ] - [ -0.0000003500000000, 0.0000019400000000, 0.0004970500000000 ] - [ 0.0000026600000000, -0.0000000600000000, -0.0001351500000000 ] - [ -0.0000222500000000, 0.0000142700000000, 0.0000825800000000 ] - [ 0.0006751100000000, 0.0001757500000000, -0.0000776300000000 ] - [ -0.0001290200000000, -0.0001007200000000, 0.0000902400000000 ] - [ 0.0001396800000000, -0.0003393600000000, 0.0005707800000000 ] - [ 0.0000905600000000, 0.0005330900000000, 0.0008951400000000 ] - [ 0.0000484400000000, 0.0002149500000000, 0.0005550200000000 ] - [ 0.0004814500000000, 0.0001105100000000, -0.0012480300000000 ] - [ 0.0001259800000000, -0.0006655400000000, -0.0001133600000000 ] - [ -0.0002741900000000, 0.0001147300000000, -0.0005156800000000 ] - [ -0.0811541800000000, 0.0247513100000000, -0.0037453900000000 ] - [ -0.0005039200000000, -0.0004340200000000, 0.0001361800000000 ] - [ 0.0004299700000000, 0.0009762500000000, 0.0000204100000000 ] - [ -0.0002711900000000, 0.0004873200000000, -0.0002179900000000 ] - [ 0.0028368900000000, 0.0002509700000000, 0.0022932900000000 ] - [ 0.0008570200000000, -0.0014147900000000, -0.0004637500000000 ] - [ 0.0000677300000000, 0.0000707700000000, -0.0001669300000000 ] - [ 0.0001462200000000, -0.0001849100000000, -0.0003473900000000 ] - [ -0.0000697600000000, 0.0001011300000000, -0.0002759300000000 ] - [ -0.0000394500000000, -0.0001510400000000, 0.0002953900000000 ] - [ -0.0002047500000000, 0.0001595400000000, 0.0003197800000000 ] - [ 0.0001377200000000, -0.0000032900000000, 0.0002986700000000 ] - [ 0.0006802000000000, -0.0003607300000000, 0.0002568500000000 ] - [ 0.0005557100000000, 0.0002290700000000, 0.0000297600000000 ] - [ 0.0030099000000000, 0.0019120300000000, -0.0015290700000000 ] - [ 0.0031897800000000, -0.0025807300000000, 0.0017257300000000 ] - [ 0.0004640300000000, -0.0004255900000000, -0.0005159700000000 ] - [ -0.0003802700000000, 0.0005161000000000, -0.0003107000000000 ] - [ -0.0010827600000000, 0.0003931500000000, -0.0000487500000000 ] - [ 0.0006860600000000, 0.0005960500000000, 0.0003015700000000 ] - [ 0.0005740000000000, -0.0008234000000000, -0.0002283700000000 ] - [ 0.0021925100000000, 0.0016841400000000, 0.0023017800000000 ] - [ -0.0002351600000000, -0.0006716200000000, -0.0003002800000000 ] - [ 0.0004844900000000, 0.0009416900000000, 0.0000338200000000 ] - [ 0.0013976500000000, -0.0002032900000000, -0.0014266000000000 ] - [ 0.0048977800000000, -0.0011849600000000, 0.0004237000000000 ] - [ 0.0004529700000000, 0.0002839400000000, 0.0000034800000000 ] - [ 0.0003645700000000, -0.0003075600000000, 0.0001880500000000 ] - [ 0.0004039800000000, -0.0001939000000000, 0.0000425000000000 ] - [ -0.0004088800000000, -0.0004028100000000, -0.0002295200000000 ] - [ -0.0000007300000000, -0.0000000800000000, -0.0000444500000000 ] - [ -0.0001144600000000, -0.0000659100000000, 0.0001568000000000 ] - [ 0.0001670200000000, -0.0002801900000000, 0.0006448100000000 ] - [ -0.0004565200000000, 0.0001355800000000, 0.0007513800000000 ] - [ 0.0002951600000000, -0.0002563000000000, 0.0003825300000000 ] - [ -0.0000661200000000, 0.0002756800000000, -0.0005461300000000 ] - [ 0.0002714600000000, -0.0000786300000000, -0.0005470200000000 ] - [ -0.0002040200000000, -0.0001972100000000, -0.0005435200000000 ] - [ 0.0003049100000000, -0.0003170100000000, 0.0001482900000000 ] - [ -0.0004162800000000, -0.0001008100000000, 0.0001499200000000 ] - [ 0.0001288400000000, 0.0004313600000000, 0.0001769500000000 ] - [ -0.0002730600000000, 0.0002954300000000, -0.0000852800000000 ] - [ 0.0004134100000000, 0.0001103600000000, -0.0001041200000000 ] - [ -0.0001114800000000, -0.0004151500000000, -0.0001012000000000 ] - [ 0.0000686400000000, 0.0001840100000000, -0.0002520000000000 ] - [ 0.0001272800000000, -0.0001499500000000, -0.0002516400000000 ] - [ -0.0001884100000000, -0.0000271900000000, -0.0002521900000000 ] - [ 0.0000381300000000, -0.0001261500000000, 0.0004640300000000 ] - [ 0.0002645000000000, 0.0003440600000000, 0.0005511400000000 ] - [ 0.0004517300000000, 0.0000928400000000, 0.0000335000000000 ] - [ -0.0000450400000000, -0.0001870700000000, 0.0003063200000000 ] - [ -0.0001630900000000, 0.0001343200000000, 0.0003064800000000 ] - [ 0.0002004100000000, 0.0000262600000000, 0.0003065200000000 ] - [ 0.0000464000000000, 0.0001898300000000, -0.0002271800000000 ] - [ 0.0001280900000000, -0.0001262100000000, -0.0002658500000000 ] - [ -0.0001782000000000, -0.0000668200000000, -0.0002165700000000 ] - [ -0.0008619700000000, 0.0001290800000000, 0.0001955100000000 ] - [ 0.0006498900000000, 0.0006489200000000, 0.0001271100000000 ] - [ 0.0001199900000000, -0.0008288900000000, 0.0000659800000000 ] - [ 0.0008605300000000, -0.0002399000000000, -0.0000679600000000 ] - [ -0.0006312500000000, -0.0006217300000000, -0.0000649100000000 ] - [ -0.0002282100000000, 0.0008540800000000, -0.0000644100000000 ] - [ -0.0000513900000000, -0.0003876000000000, 0.0000420900000000 ] - [ -0.0003204600000000, 0.0002298900000000, 0.0000318000000000 ] - [ 0.0003673100000000, 0.0001488800000000, 0.0000462300000000 ] - [ 0.0000139400000000, 0.0004177600000000, 0.0000042000000000 ] - [ 0.0003416400000000, -0.0001882900000000, 0.0001397900000000 ] - [ -0.0003435200000000, -0.0001699800000000, 0.0000064200000000 ] - [ -0.0000282500000000, 0.0000528100000000, -0.0000530000000000 ] - [ 0.0000018800000000, -0.0000017900000000, 0.0000879400000000 ] - [ 0.0000839500000000, -0.0002795300000000, 0.0006176000000000 ] - [ -0.0002845100000000, 0.0000650700000000, 0.0006168200000000 ] - [ 0.0001991300000000, 0.0002159500000000, 0.0006162200000000 ] - [ 0.0001125700000000, 0.0003185400000000, -0.0004966600000000 ] - [ 0.0003082600000000, -0.0000546800000000, -0.0006221400000000 ] - [ -0.0001681400000000, -0.0002230200000000, -0.0004597500000000 ] - [ 0.0003075400000000, -0.0003166600000000, 0.0001560500000000 ] - [ -0.0004324000000000, -0.0001090600000000, 0.0001643200000000 ] - [ 0.0001266900000000, 0.0004183100000000, 0.0001571000000000 ] - [ -0.0003017900000000, 0.0003017900000000, -0.0000823200000000 ] - [ 0.0004153600000000, 0.0001021900000000, -0.0000906800000000 ] - [ -0.0001182000000000, -0.0004122600000000, -0.0000934300000000 ] - [ 0.0001124300000000, 0.0002533900000000, -0.0002878100000000 ] - [ 0.0000234200000000, -0.0001549900000000, -0.0002900400000000 ] - [ -0.0001854700000000, -0.0001631200000000, -0.0002341800000000 ] - [ -0.0000762300000000, -0.0002029700000000, 0.0003151700000000 ] - [ -0.0001369900000000, 0.0001640800000000, 0.0003169200000000 ] - [ 0.0002077700000000, 0.0000306000000000, 0.0003176100000000 ] - [ -0.0000627600000000, -0.0002202100000000, 0.0002991200000000 ] - [ -0.0001502500000000, 0.0001643100000000, 0.0003046700000000 ] - [ 0.0002130600000000, 0.0000713100000000, 0.0003169400000000 ] - [ 0.0000774100000000, 0.0002093100000000, -0.0002307100000000 ] - [ 0.0001421200000000, -0.0001658400000000, -0.0002410600000000 ] - [ -0.0002161700000000, -0.0000396900000000, -0.0002243000000000 ] - [ -0.0008417000000000, 0.0002428600000000, 0.0001541500000000 ] - [ 0.0006310300000000, 0.0006054600000000, 0.0001534800000000 ] - [ 0.0002128600000000, -0.0008461400000000, 0.0001511800000000 ] - [ 0.0008331200000000, -0.0002266500000000, -0.0000267300000000 ] - [ -0.0006519000000000, -0.0006347100000000, -0.0000893200000000 ] - [ -0.0002197300000000, 0.0008642500000000, -0.0000954500000000 ] - [ -0.0000248100000000, -0.0003715200000000, 0.0000173300000000 ] - [ -0.0003107900000000, 0.0002286500000000, 0.0000396100000000 ] - [ 0.0003374700000000, 0.0001451200000000, 0.0000869900000000 ] - [ 0.0000165700000000, 0.0003656600000000, 0.0000293700000000 ] - [ 0.0003124000000000, -0.0001984400000000, 0.0000297400000000 ] - [ -0.0003263400000000, -0.0001694300000000, 0.0000291000000000 ] - [ -0.0001046400000000, 0.0000255500000000, -0.0000030000000000 ] - [ -0.0000857100000000, 0.0003814100000000, -0.0002741300000000 ] - [ -0.0003106400000000, -0.0007412000000000, 0.0000011800000000 ] - [ 0.0002114700000000, -0.0007956400000000, -0.0004153500000000 ] - [ -0.0003469100000000, 0.0001018800000000, 0.0002253200000000 ] - [ -0.0001974000000000, 0.0000966300000000, -0.0000660800000000 ] - [ -0.0021196600000000, -0.0013781500000000, 0.0009076700000000 ] - [ 0.0436254100000000, -0.0143141700000000, -0.0269872600000000 ] - [ 0.0002156600000000, 0.0005349900000000, 0.0001224200000000 ] - [ 0.0000073800000000, 0.0018978000000000, -0.0000915700000000 ] - [ 0.0001697000000000, -0.0008126000000000, 0.0000348400000000 ] - [ 0.0204111400000000, -0.0066317300000000, 0.0262850300000000 ] - [ -0.0003999100000000, -0.0001107800000000, -0.0003754100000000 ] - [ 0.0002556900000000, 0.0008219300000000, -0.0003046300000000 ] - [ 0.0006592600000000, -0.0006254400000000, -0.0003923700000000 ] - [ 0.0002307100000000, -0.0001067700000000, 0.0003140900000000 ] - [ -0.0012698300000000, -0.0010024600000000, 0.0008467000000000 ] - [ -0.0006869000000000, -0.0003988500000000, -0.0005314300000000 ] - [ 0.0016272300000000, -0.0005955700000000, 0.0010688700000000 ] - [ -0.0012734100000000, -0.0001866500000000, -0.0016963400000000 ] - [ -0.0005527900000000, -0.0000117500000000, -0.0000225000000000 ] - [ -0.0002089400000000, -0.0015549800000000, -0.0008373600000000 ] - [ -0.0012953900000000, 0.0003258400000000, 0.0009871300000000 ] - [ -0.0015553900000000, 0.0003070700000000, 0.0014646000000000 ] - [ 0.0003339100000000, 0.0002316000000000, -0.0003966000000000 ] - [ -0.0002097500000000, -0.0000520600000000, -0.0002814700000000 ] - [ 0.0004732700000000, -0.0001436000000000, -0.0000104100000000 ] - [ 0.0000267200000000, 0.0000342700000000, 0.0000966200000000 ] - [ 0.0000170400000000, -0.0000391400000000, 0.0000928700000000 ] - [ -0.0000376800000000, 0.0000100000000000, 0.0000944600000000 ] - [ 0.0000041600000000, -0.0003485800000000, -0.0002050800000000 ] - [ -0.0002831100000000, 0.0001738900000000, -0.0001816700000000 ] - [ 0.0002559600000000, 0.0001771800000000, -0.0002114100000000 ] - [ -0.0000006000000000, 0.0003114800000000, 0.0001255900000000 ] - [ 0.0002502600000000, -0.0001196600000000, 0.0000779900000000 ] - [ -0.0002819100000000, -0.0001776100000000, 0.0001136400000000 ] - [ -0.0006672100000000, -0.0003394400000000, -0.0002386300000000 ] - [ 0.0002051700000000, 0.0006280800000000, -0.0002196700000000 ] - [ 0.0005343900000000, -0.0002790400000000, -0.0003906400000000 ] - [ 0.0006223800000000, 0.0002978100000000, 0.0001972100000000 ] - [ -0.0000557800000000, -0.0006823100000000, 0.0001983200000000 ] - [ -0.0005655700000000, 0.0003984300000000, 0.0002003700000000 ] - [ 0.0001707200000000, 0.0003663900000000, -0.0001867700000000 ] - [ 0.0001761300000000, -0.0003330000000000, -0.0002279100000000 ] - [ -0.0002194400000000, 0.0000204400000000, -0.0001844200000000 ] - [ -0.0002067800000000, -0.0002678000000000, 0.0000859400000000 ] - [ -0.0001446900000000, 0.0003076000000000, 0.0000860200000000 ] - [ 0.0003554400000000, -0.0000120500000000, 0.0000886200000000 ] - [ -0.0000216500000000, 0.0000658700000000, -0.0002008600000000 ] - [ 0.0000738600000000, -0.0000204300000000, -0.0002001000000000 ] - [ -0.0000515900000000, -0.0000622500000000, -0.0001975000000000 ] - [ 0.0002978900000000, -0.0000208000000000, -0.0001828500000000 ] - [ -0.0002103000000000, -0.0001366000000000, 0.0002534300000000 ] - [ -0.0001384500000000, 0.0001804500000000, 0.0000511400000000 ] - [ -0.0000664200000000, -0.0003753100000000, -0.0001920000000000 ] - [ -0.0002885600000000, 0.0002252600000000, -0.0001788700000000 ] - [ 0.0003846600000000, 0.0001305500000000, -0.0002028100000000 ] - [ -0.0000291700000000, 0.0004826600000000, 0.0001633100000000 ] - [ 0.0004248500000000, -0.0002114700000000, 0.0001540500000000 ] - [ -0.0004092600000000, -0.0002570200000000, 0.0001656700000000 ] - [ -0.0006236900000000, 0.0000078700000000, -0.0002642000000000 ] - [ 0.0003138000000000, 0.0005344000000000, -0.0002653800000000 ] - [ 0.0003043500000000, -0.0005445700000000, -0.0002637200000000 ] - [ 0.0007014400000000, 0.0001421400000000, 0.0001268800000000 ] - [ -0.0001580800000000, -0.0006199600000000, 0.0003171300000000 ] - [ -0.0004411100000000, 0.0004037000000000, 0.0002553200000000 ] - [ 0.0002023100000000, 0.0002124700000000, -0.0002597700000000 ] - [ 0.0000813000000000, -0.0002717700000000, -0.0002543800000000 ] - [ -0.0002872500000000, 0.0000618000000000, -0.0002498200000000 ] - [ -0.0001945500000000, -0.0001553700000000, 0.0000969400000000 ] - [ -0.0000559200000000, 0.0002581900000000, 0.0001187500000000 ] - [ 0.0002316800000000, -0.0001147700000000, 0.0001511000000000 ]- atom: 21 displacement: [ -0.0100000000000000, -0.0000000000216584, 0.0000000000000000 ] forces: - [ -0.0006990900000000, -0.0006261800000000, -0.0006349500000000 ] - [ -0.0003787600000000, 0.0001972300000000, 0.0006612700000000 ] - [ 0.0003433900000000, -0.0001019800000000, -0.0003996400000000 ] - [ -0.0001284900000000, -0.0002350600000000, -0.0001102400000000 ] - [ 0.0000045400000000, 0.0000008300000000, -0.0005009900000000 ] - [ 0.0000636600000000, -0.0000052200000000, 0.0005473700000000 ] - [ -0.0000353800000000, -0.0000080800000000, -0.0000955800000000 ] - [ -0.0000031000000000, 0.0000017100000000, 0.0001396000000000 ] - [ -0.0000017100000000, -0.0000021900000000, -0.0005029700000000 ] - [ -0.0000018900000000, -0.0000004000000000, 0.0005512600000000 ] - [ -0.0000004100000000, 0.0000000800000000, -0.0000911600000000 ] - [ 0.0000203600000000, -0.0000159200000000, 0.0001472200000000 ] - [ -0.0006796000000000, -0.0001734300000000, -0.0000354300000000 ] - [ 0.0001263600000000, 0.0001006400000000, 0.0000562000000000 ] - [ 0.0000179500000000, -0.0002328500000000, 0.0005821800000000 ] - [ -0.0006604200000000, -0.0003800900000000, 0.0002613800000000 ] - [ 0.0003655500000000, 0.0002069700000000, 0.0005971200000000 ] - [ -0.0006414200000000, 0.0004387600000000, 0.0001045500000000 ] - [ 0.0004181900000000, 0.0005256500000000, -0.0010430400000000 ] - [ -0.0001208400000000, -0.0005151900000000, -0.0006360300000000 ] - [ 0.0803949100000000, -0.0250340400000000, 0.0058078100000000 ] - [ -0.0003509300000000, 0.0002236100000000, 0.0001045700000000 ] - [ -0.0001885700000000, -0.0001268200000000, 0.0002170600000000 ] - [ -0.0003236700000000, 0.0001338300000000, -0.0000383800000000 ] - [ -0.0020262700000000, -0.0000699000000000, -0.0025851700000000 ] - [ -0.0010890300000000, 0.0005904700000000, 0.0002040000000000 ] - [ 0.0000783400000000, 0.0003258300000000, -0.0003920000000000 ] - [ 0.0001267500000000, -0.0001341000000000, -0.0002153600000000 ] - [ -0.0003353200000000, -0.0001654100000000, -0.0002894400000000 ] - [ -0.0000612100000000, -0.0002372100000000, 0.0002824000000000 ] - [ -0.0000789400000000, 0.0001192200000000, 0.0002578800000000 ] - [ 0.0002401300000000, 0.0000994800000000, 0.0002827000000000 ] - [ -0.0008381200000000, -0.0000596400000000, 0.0002812900000000 ] - [ -0.0008370800000000, 0.0001146700000000, 0.0005105600000000 ] - [ -0.0025211200000000, -0.0017957000000000, 0.0020386200000000 ] - [ -0.0030930800000000, 0.0030506800000000, -0.0022668800000000 ] - [ -0.0001479600000000, 0.0001154500000000, -0.0000238400000000 ] - [ -0.0000464700000000, -0.0006397400000000, -0.0002253600000000 ] - [ -0.0006464600000000, 0.0000956200000000, 0.0002571100000000 ] - [ 0.0005972000000000, 0.0006496100000000, -0.0000945600000000 ] - [ -0.0001338800000000, -0.0009090100000000, 0.0004400700000000 ] - [ -0.0004990900000000, -0.0021357400000000, -0.0024942400000000 ] - [ -0.0010186900000000, -0.0005358900000000, 0.0000761600000000 ] - [ -0.0009022100000000, 0.0007438700000000, -0.0002527300000000 ] - [ -0.0014764900000000, -0.0005266900000000, 0.0014476900000000 ] - [ -0.0054364600000000, 0.0015576900000000, -0.0003787100000000 ] - [ 0.0002150300000000, 0.0000295700000000, 0.0000095600000000 ] - [ -0.0003157900000000, 0.0010622600000000, -0.0002128600000000 ] - [ 0.0002277500000000, -0.0002267000000000, -0.0000661900000000 ] - [ -0.0002721300000000, 0.0000543500000000, 0.0002203000000000 ] - [ 0.0000014800000000, 0.0000003000000000, -0.0000996300000000 ] - [ 0.0001138900000000, 0.0000650400000000, -0.0000122200000000 ] - [ -0.0000122700000000, -0.0002873500000000, 0.0005151300000000 ] - [ -0.0001124500000000, 0.0000143500000000, 0.0004103600000000 ] - [ 0.0001173800000000, 0.0006780200000000, 0.0007771800000000 ] - [ -0.0000893600000000, 0.0002920900000000, -0.0006137200000000 ] - [ 0.0002956000000000, -0.0000722300000000, -0.0006123300000000 ] - [ -0.0002093900000000, -0.0002218800000000, -0.0006139600000000 ] - [ 0.0002841400000000, -0.0003023000000000, 0.0001008700000000 ] - [ -0.0004121000000000, -0.0000968800000000, 0.0000999800000000 ] - [ 0.0001134600000000, 0.0003870100000000, 0.0000704200000000 ] - [ -0.0003156600000000, 0.0003236200000000, -0.0001634400000000 ] - [ 0.0004147200000000, 0.0000870400000000, -0.0001457100000000 ] - [ -0.0001306700000000, -0.0004034700000000, -0.0001461400000000 ] - [ 0.0000736600000000, 0.0001952700000000, -0.0003153200000000 ] - [ 0.0001305900000000, -0.0001604400000000, -0.0003163400000000 ] - [ -0.0002017400000000, -0.0000280600000000, -0.0003194900000000 ] - [ -0.0001814700000000, -0.0002527700000000, 0.0001033300000000 ] - [ -0.0005186500000000, -0.0000325400000000, 0.0000191500000000 ] - [ -0.0000610900000000, -0.0000374000000000, 0.0005396200000000 ] - [ -0.0000508100000000, -0.0001930200000000, 0.0002294600000000 ] - [ -0.0001177900000000, 0.0001354900000000, 0.0002313700000000 ] - [ 0.0001699200000000, 0.0000853700000000, 0.0002305000000000 ] - [ 0.0000493800000000, 0.0001903600000000, -0.0003079600000000 ] - [ 0.0001528600000000, -0.0001437100000000, -0.0002711700000000 ] - [ -0.0001917000000000, -0.0000444000000000, -0.0003201200000000 ] - [ -0.0008660100000000, 0.0003442400000000, 0.0000117200000000 ] - [ 0.0006191900000000, 0.0006058300000000, 0.0000810700000000 ] - [ 0.0003365600000000, -0.0008958000000000, 0.0001428100000000 ] - [ 0.0008673900000000, -0.0002322500000000, -0.0001395200000000 ] - [ -0.0006377600000000, -0.0006330600000000, -0.0001428400000000 ] - [ -0.0002278400000000, 0.0008705100000000, -0.0001436000000000 ] - [ -0.0000166100000000, -0.0003968500000000, -0.0000334800000000 ] - [ -0.0003263100000000, 0.0002206100000000, -0.0000230000000000 ] - [ 0.0003521000000000, 0.0001888800000000, -0.0000356900000000 ] - [ 0.0000540900000000, 0.0003666300000000, -0.0000124400000000 ] - [ 0.0003056900000000, -0.0002622000000000, -0.0001482000000000 ] - [ -0.0003754000000000, -0.0001678400000000, -0.0000171200000000 ] - [ 0.0000315500000000, -0.0000538000000000, -0.0000933800000000 ] - [ -0.0000026500000000, 0.0000014700000000, 0.0000262200000000 ] - [ 0.0000673200000000, -0.0002638800000000, 0.0005375400000000 ] - [ -0.0002602500000000, 0.0000768700000000, 0.0005378300000000 ] - [ 0.0001951600000000, 0.0001873900000000, 0.0005355000000000 ] - [ -0.0002701200000000, 0.0002542900000000, -0.0006560000000000 ] - [ 0.0002632400000000, -0.0000982600000000, -0.0005314600000000 ] - [ -0.0002484200000000, -0.0001973900000000, -0.0006908400000000 ] - [ 0.0002867200000000, -0.0003029300000000, 0.0000999800000000 ] - [ -0.0003999400000000, -0.0000921200000000, 0.0000926200000000 ] - [ 0.0001146300000000, 0.0004051400000000, 0.0000966700000000 ] - [ -0.0003120300000000, 0.0003304900000000, -0.0001569500000000 ] - [ 0.0004386400000000, 0.0001115500000000, -0.0001496700000000 ] - [ -0.0001222500000000, -0.0004376500000000, -0.0001438500000000 ] - [ -0.0000120800000000, 0.0001351700000000, -0.0002900200000000 ] - [ 0.0002613400000000, -0.0001248200000000, -0.0002857400000000 ] - [ -0.0001916000000000, 0.0000673700000000, -0.0003469500000000 ] - [ -0.0000659900000000, -0.0001951200000000, 0.0002468700000000 ] - [ -0.0001364500000000, 0.0001556800000000, 0.0002447500000000 ] - [ 0.0001991400000000, 0.0000341900000000, 0.0002476100000000 ] - [ -0.0000486800000000, -0.0002123800000000, 0.0002344400000000 ] - [ -0.0001675400000000, 0.0001453100000000, 0.0002319400000000 ] - [ 0.0002104000000000, 0.0000528900000000, 0.0002196900000000 ] - [ 0.0000801200000000, 0.0002111700000000, -0.0003070900000000 ] - [ 0.0001419400000000, -0.0001775200000000, -0.0002994800000000 ] - [ -0.0002205600000000, -0.0000372800000000, -0.0003161300000000 ] - [ -0.0008369100000000, 0.0002388400000000, 0.0000697500000000 ] - [ 0.0006237300000000, 0.0006023400000000, 0.0000706000000000 ] - [ 0.0002101900000000, -0.0008423900000000, 0.0000736400000000 ] - [ 0.0008948300000000, -0.0002625800000000, -0.0001817200000000 ] - [ -0.0006304200000000, -0.0006118400000000, -0.0001184400000000 ] - [ -0.0002227700000000, 0.0008687800000000, -0.0001143900000000 ] - [ -0.0000251400000000, -0.0003796700000000, 0.0000049000000000 ] - [ -0.0003211100000000, 0.0001911500000000, -0.0000162500000000 ] - [ 0.0003444500000000, 0.0001934000000000, -0.0000624600000000 ] - [ 0.0000487200000000, 0.0003626800000000, -0.0000401600000000 ] - [ 0.0002888200000000, -0.0002222300000000, -0.0000411700000000 ] - [ -0.0003426500000000, -0.0001438100000000, -0.0000417900000000 ] - [ -0.0003530600000000, 0.0000363600000000, -0.0001662500000000 ] - [ 0.0003568900000000, -0.0000306000000000, 0.0001097400000000 ] - [ 0.0004895200000000, 0.0003339400000000, -0.0001698700000000 ] - [ -0.0001657000000000, 0.0006392600000000, 0.0007133100000000 ] - [ 0.0001835600000000, -0.0000542700000000, 0.0000723200000000 ] - [ 0.0003139100000000, 0.0000443700000000, 0.0003617600000000 ] - [ 0.0021952700000000, 0.0004047200000000, -0.0013277000000000 ] - [ -0.0429538700000000, 0.0141172900000000, 0.0254595900000000 ] - [ 0.0006062600000000, -0.0000142700000000, -0.0005404200000000 ] - [ 0.0001320900000000, -0.0011497100000000, 0.0003760900000000 ] - [ 0.0004075900000000, 0.0003420900000000, 0.0002468400000000 ] - [ -0.0214013300000000, 0.0066278000000000, -0.0267490800000000 ] - [ -0.0008746700000000, -0.0002166700000000, -0.0001715800000000 ] - [ 0.0000915400000000, 0.0004466200000000, -0.0002386700000000 ] - [ 0.0002662300000000, -0.0003136900000000, -0.0001487300000000 ] - [ 0.0010107900000000, 0.0000930700000000, 0.0001119500000000 ] - [ 0.0006400200000000, -0.0000631200000000, -0.0004201700000000 ] - [ 0.0000796400000000, 0.0014787200000000, 0.0009538300000000 ] - [ -0.0012120300000000, 0.0009179300000000, -0.0014348200000000 ] - [ 0.0013512200000000, -0.0003151800000000, 0.0013309100000000 ] - [ 0.0000804800000000, 0.0001917600000000, -0.0003471000000000 ] - [ -0.0002006600000000, 0.0011218800000000, 0.0012100600000000 ] - [ 0.0011413300000000, 0.0002327400000000, -0.0006070400000000 ] - [ 0.0021165200000000, -0.0004534700000000, -0.0010711700000000 ] - [ -0.0003750800000000, -0.0003105800000000, 0.0001121000000000 ] - [ 0.0001554300000000, 0.0001242100000000, -0.0000021500000000 ] - [ -0.0003829100000000, 0.0001433900000000, -0.0002683500000000 ] - [ 0.0000143600000000, 0.0000428800000000, 0.0001893700000000 ] - [ 0.0000362100000000, -0.0000331400000000, 0.0001879000000000 ] - [ -0.0000521200000000, -0.0000081800000000, 0.0001894600000000 ] - [ -0.0000014700000000, -0.0002930300000000, -0.0001002400000000 ] - [ -0.0002701100000000, 0.0001313600000000, -0.0001230900000000 ] - [ 0.0002860200000000, 0.0001738500000000, -0.0000949000000000 ] - [ -0.0000019200000000, 0.0003301500000000, 0.0001788700000000 ] - [ 0.0003030000000000, -0.0001846700000000, 0.0002258300000000 ] - [ -0.0002599800000000, -0.0001734100000000, 0.0001920900000000 ] - [ -0.0005876300000000, -0.0002461500000000, -0.0002562500000000 ] - [ -0.0000813900000000, 0.0007376100000000, -0.0002778900000000 ] - [ 0.0005954800000000, -0.0005137000000000, -0.0001031500000000 ] - [ 0.0006321500000000, 0.0002875800000000, 0.0002978700000000 ] - [ -0.0000675600000000, -0.0006833600000000, 0.0002989100000000 ] - [ -0.0005658800000000, 0.0003947200000000, 0.0002933200000000 ] - [ 0.0002099800000000, 0.0002098100000000, -0.0001083500000000 ] - [ 0.0001313400000000, -0.0002845900000000, -0.0000677100000000 ] - [ -0.0004709900000000, 0.0000198700000000, -0.0001122500000000 ] - [ -0.0001738200000000, -0.0003090800000000, 0.0002084600000000 ] - [ -0.0001620000000000, 0.0003099700000000, 0.0002088700000000 ] - [ 0.0003352400000000, -0.0000282300000000, 0.0002065300000000 ] - [ -0.0000218200000000, 0.0000880200000000, -0.0000993400000000 ] - [ 0.0000902300000000, -0.0000260100000000, -0.0000948900000000 ] - [ -0.0000623000000000, -0.0000770400000000, -0.0001000900000000 ] - [ 0.0001614600000000, -0.0000389300000000, 0.0003512100000000 ] - [ -0.0000617500000000, -0.0002151300000000, -0.0000902900000000 ] - [ -0.0000390600000000, 0.0002265500000000, 0.0001163200000000 ] - [ -0.0000693900000000, -0.0003786700000000, -0.0000916400000000 ] - [ -0.0002879300000000, 0.0002462900000000, -0.0001040000000000 ] - [ 0.0003232100000000, 0.0001214300000000, -0.0000840900000000 ] - [ -0.0000434500000000, 0.0004918400000000, 0.0002524300000000 ] - [ 0.0004404600000000, -0.0002304900000000, 0.0002621700000000 ] - [ -0.0004134700000000, -0.0002667200000000, 0.0002516900000000 ] - [ -0.0006181700000000, 0.0000042500000000, -0.0001615600000000 ] - [ 0.0003140300000000, 0.0005315100000000, -0.0001618500000000 ] - [ 0.0003075000000000, -0.0005418700000000, -0.0001614300000000 ] - [ 0.0005667600000000, 0.0001900800000000, 0.0004163600000000 ] - [ -0.0001906300000000, -0.0006497100000000, 0.0002262500000000 ] - [ -0.0004835700000000, 0.0005353400000000, 0.0002863600000000 ] - [ 0.0002155300000000, 0.0002161500000000, -0.0001218700000000 ] - [ 0.0000743000000000, -0.0002830400000000, -0.0001295000000000 ] - [ -0.0002770700000000, 0.0000852100000000, -0.0001346800000000 ] - [ -0.0002050800000000, -0.0001663600000000, 0.0002733800000000 ] - [ -0.0000199200000000, 0.0002461200000000, 0.0002530900000000 ] - [ 0.0002417700000000, -0.0000652700000000, 0.0002205900000000 ]- atom: 21 displacement: [ -0.0050000000088145, 0.0086602540327554, 0.0000000000000000 ] forces: - [ 0.0001042400000000, 0.0023536800000000, -0.0009529400000000 ] - [ -0.0003261400000000, 0.0000071200000000, 0.0002109500000000 ] - [ 0.0001056000000000, 0.0000514000000000, -0.0001860600000000 ] - [ -0.0000165100000000, -0.0003882700000000, -0.0002897000000000 ] - [ 0.0000024600000000, 0.0000004200000000, -0.0004843900000000 ] - [ 0.0000410000000000, 0.0000119000000000, 0.0005372300000000 ] - [ -0.0000103200000000, -0.0000081300000000, -0.0000738500000000 ] - [ -0.0000024600000000, 0.0000004600000000, 0.0001442500000000 ] - [ 0.0000083900000000, -0.0000346700000000, -0.0004765300000000 ] - [ -0.0000007200000000, -0.0000011000000000, 0.0005557000000000 ] - [ 0.0000005900000000, 0.0000007100000000, -0.0000764100000000 ] - [ 0.0000105400000000, 0.0000002200000000, 0.0001498400000000 ] - [ -0.0004394500000000, -0.0002708700000000, -0.0000214200000000 ] - [ 0.0000271900000000, 0.0002690400000000, 0.0000289700000000 ] - [ 0.0000571900000000, -0.0002094600000000, 0.0005530700000000 ] - [ -0.0005755000000000, -0.0002101600000000, 0.0004316500000000 ] - [ 0.0005397500000000, 0.0000353300000000, 0.0004114500000000 ] - [ -0.0004119300000000, 0.0006828500000000, -0.0001042900000000 ] - [ 0.0003917900000000, 0.0003959500000000, -0.0009394100000000 ] - [ -0.0001545600000000, -0.0003332300000000, -0.0005914700000000 ] - [ 0.0619350300000000, -0.0294839300000000, 0.0089121900000000 ] - [ -0.0005001600000000, 0.0006659700000000, 0.0002633100000000 ] - [ 0.0002714800000000, 0.0004233100000000, 0.0003649400000000 ] - [ -0.0001566700000000, 0.0004426900000000, -0.0000367300000000 ] - [ 0.0000704100000000, -0.0001393700000000, -0.0009485800000000 ] - [ -0.0021905400000000, 0.0011892400000000, 0.0015481600000000 ] - [ 0.0000126700000000, 0.0001677900000000, -0.0004356300000000 ] - [ 0.0000874100000000, -0.0000566100000000, -0.0003419400000000 ] - [ -0.0002356400000000, -0.0001105700000000, -0.0003995900000000 ] - [ -0.0000531900000000, -0.0001639400000000, 0.0002574100000000 ] - [ -0.0001834600000000, 0.0000862700000000, 0.0001847200000000 ] - [ 0.0002340800000000, 0.0000828900000000, 0.0002718500000000 ] - [ -0.0009743900000000, -0.0000621800000000, 0.0003420000000000 ] - [ -0.0005977800000000, 0.0001679500000000, 0.0004814200000000 ] - [ 0.0004871000000000, -0.0001515300000000, 0.0006541100000000 ] - [ -0.0042747200000000, 0.0035471000000000, -0.0027493900000000 ] - [ -0.0002153100000000, 0.0001738800000000, -0.0000362300000000 ] - [ 0.0002747000000000, 0.0000283300000000, -0.0001955600000000 ] - [ -0.0006961500000000, 0.0002754700000000, 0.0000552800000000 ] - [ 0.0004721200000000, 0.0007345600000000, -0.0001797400000000 ] - [ -0.0001686400000000, -0.0008118700000000, 0.0005205700000000 ] - [ 0.0010731800000000, -0.0011054400000000, -0.0002601000000000 ] - [ -0.0009135500000000, -0.0006064300000000, 0.0001537600000000 ] - [ -0.0008504300000000, 0.0007586700000000, -0.0002574500000000 ] - [ -0.0011172100000000, -0.0006468200000000, 0.0010642200000000 ] - [ -0.0052344600000000, 0.0011625800000000, -0.0003963100000000 ] - [ 0.0003567900000000, 0.0001108100000000, 0.0001877100000000 ] - [ -0.0004101600000000, 0.0012393000000000, -0.0002427600000000 ] - [ 0.0002435800000000, -0.0000798100000000, 0.0000057700000000 ] - [ -0.0008566600000000, 0.0007764700000000, -0.0020516600000000 ] - [ 0.0000001100000000, 0.0000008800000000, -0.0001147100000000 ] - [ 0.0000839300000000, 0.0000587000000000, -0.0000091500000000 ] - [ 0.0000184300000000, -0.0002640100000000, 0.0005172100000000 ] - [ -0.0002819700000000, 0.0000145600000000, 0.0005061400000000 ] - [ 0.0001834900000000, 0.0005091700000000, 0.0006616300000000 ] - [ -0.0000919500000000, 0.0002945400000000, -0.0006350900000000 ] - [ 0.0002989800000000, -0.0000690500000000, -0.0006346100000000 ] - [ -0.0002084900000000, -0.0002270900000000, -0.0006352000000000 ] - [ 0.0002819300000000, -0.0002947900000000, 0.0000843000000000 ] - [ -0.0004006400000000, -0.0000950100000000, 0.0000845700000000 ] - [ 0.0001108800000000, 0.0003830600000000, 0.0000656900000000 ] - [ -0.0003161900000000, 0.0003233500000000, -0.0001773700000000 ] - [ 0.0004203000000000, 0.0000938400000000, -0.0001631800000000 ] - [ -0.0001275500000000, -0.0004128300000000, -0.0001622900000000 ] - [ 0.0000763800000000, 0.0001946500000000, -0.0003328600000000 ] - [ 0.0001293200000000, -0.0001623200000000, -0.0003339200000000 ] - [ -0.0002016400000000, -0.0000261900000000, -0.0003381800000000 ] - [ -0.0001561700000000, -0.0003441800000000, 0.0001098600000000 ] - [ -0.0002590800000000, 0.0001242500000000, 0.0002393600000000 ] - [ 0.0000435400000000, -0.0000547300000000, 0.0004775400000000 ] - [ -0.0000508400000000, -0.0001889200000000, 0.0002173400000000 ] - [ -0.0001280900000000, 0.0001285200000000, 0.0002193400000000 ] - [ 0.0001775900000000, 0.0000770200000000, 0.0002138200000000 ] - [ 0.0000600600000000, 0.0001936800000000, -0.0003170200000000 ] - [ 0.0001465500000000, -0.0001477200000000, -0.0002988300000000 ] - [ -0.0001924800000000, -0.0000438100000000, -0.0003311700000000 ] - [ -0.0008584800000000, 0.0003099100000000, 0.0000058300000000 ] - [ 0.0006321500000000, 0.0006252900000000, 0.0000795100000000 ] - [ 0.0003033600000000, -0.0008846200000000, 0.0000687600000000 ] - [ 0.0008675000000000, -0.0002355600000000, -0.0001593900000000 ] - [ -0.0006390500000000, -0.0006305700000000, -0.0001607000000000 ] - [ -0.0002277800000000, 0.0008690100000000, -0.0001601100000000 ] - [ -0.0000111100000000, -0.0003955400000000, -0.0000439000000000 ] - [ -0.0003331900000000, 0.0002111700000000, -0.0000401600000000 ] - [ 0.0003485900000000, 0.0001941000000000, -0.0000482600000000 ] - [ 0.0000630700000000, 0.0003755300000000, -0.0000518500000000 ] - [ 0.0003066400000000, -0.0002699800000000, -0.0001420200000000 ] - [ -0.0003616400000000, -0.0001475000000000, -0.0000680100000000 ] - [ 0.0000415100000000, -0.0000592800000000, -0.0001076900000000 ] - [ -0.0000014400000000, 0.0000006600000000, 0.0000182400000000 ] - [ 0.0000610100000000, -0.0002590900000000, 0.0005289000000000 ] - [ -0.0002531200000000, 0.0000779100000000, 0.0005292700000000 ] - [ 0.0001925700000000, 0.0001821700000000, 0.0005274300000000 ] - [ -0.0001420800000000, 0.0002052500000000, -0.0006084600000000 ] - [ 0.0003170700000000, -0.0000801800000000, -0.0006000900000000 ] - [ -0.0002559600000000, -0.0002245500000000, -0.0006935700000000 ] - [ 0.0002841400000000, -0.0002952100000000, 0.0000860700000000 ] - [ -0.0003887100000000, -0.0000887000000000, 0.0000696200000000 ] - [ 0.0001104600000000, 0.0004018000000000, 0.0000876900000000 ] - [ -0.0003210300000000, 0.0003310700000000, -0.0001716100000000 ] - [ 0.0004375000000000, 0.0001135300000000, -0.0001582700000000 ] - [ -0.0001200500000000, -0.0004369800000000, -0.0001607200000000 ] - [ -0.0000512200000000, 0.0002663200000000, -0.0002395600000000 ] - [ 0.0002318000000000, -0.0000492500000000, -0.0005777000000000 ] - [ -0.0002074600000000, 0.0000682600000000, -0.0003500800000000 ] - [ -0.0000662600000000, -0.0001918000000000, 0.0002367500000000 ] - [ -0.0001336900000000, 0.0001532400000000, 0.0002355000000000 ] - [ 0.0001954500000000, 0.0000333300000000, 0.0002380900000000 ] - [ -0.0000474500000000, -0.0002196200000000, 0.0002110500000000 ] - [ -0.0001638000000000, 0.0001503200000000, 0.0002183300000000 ] - [ 0.0002076200000000, 0.0000534500000000, 0.0002131700000000 ] - [ 0.0000907100000000, 0.0002088400000000, -0.0003210600000000 ] - [ 0.0001485200000000, -0.0001743400000000, -0.0003174300000000 ] - [ -0.0002280300000000, -0.0000372900000000, -0.0003295500000000 ] - [ -0.0008324300000000, 0.0002398600000000, 0.0000572200000000 ] - [ 0.0006248400000000, 0.0005973100000000, 0.0000587400000000 ] - [ 0.0002078600000000, -0.0008382000000000, 0.0000595000000000 ] - [ 0.0008586600000000, -0.0002747400000000, -0.0001863400000000 ] - [ -0.0006301000000000, -0.0006399700000000, -0.0001618000000000 ] - [ -0.0002108900000000, 0.0008877000000000, -0.0001387800000000 ] - [ -0.0000165200000000, -0.0003787100000000, 0.0000063300000000 ] - [ -0.0003298000000000, 0.0001875700000000, -0.0000269500000000 ] - [ 0.0003301400000000, 0.0001842000000000, -0.0000587600000000 ] - [ 0.0000595300000000, 0.0003594500000000, -0.0000611200000000 ] - [ 0.0002870300000000, -0.0002247900000000, -0.0000541900000000 ] - [ -0.0003430300000000, -0.0001402200000000, -0.0000544500000000 ] - [ -0.0004834100000000, 0.0000420600000000, 0.0000045700000000 ] - [ 0.0002952700000000, -0.0000280100000000, 0.0001386100000000 ] - [ 0.0004506600000000, 0.0001834300000000, -0.0003287300000000 ] - [ 0.0000344900000000, 0.0002142000000000, 0.0005523500000000 ] - [ -0.0002555900000000, -0.0000714100000000, 0.0002161100000000 ] - [ 0.0002421100000000, 0.0000505500000000, 0.0003887800000000 ] - [ 0.0009254500000000, 0.0001130400000000, -0.0006703400000000 ] - [ -0.0328502400000000, 0.0133873200000000, 0.0188888800000000 ] - [ 0.0003699600000000, -0.0004115600000000, -0.0006982000000000 ] - [ 0.0004531700000000, -0.0016567200000000, 0.0002811200000000 ] - [ -0.0000066300000000, -0.0005652100000000, 0.0001256300000000 ] - [ -0.0181463700000000, 0.0072037800000000, -0.0242009300000000 ] - [ -0.0001862500000000, -0.0008416100000000, 0.0002022000000000 ] - [ 0.0001522300000000, 0.0002921200000000, -0.0001835300000000 ] - [ 0.0003374700000000, -0.0006231400000000, -0.0001561600000000 ] - [ 0.0008316800000000, 0.0000743300000000, 0.0001291700000000 ] - [ 0.0003427700000000, -0.0000878900000000, -0.0003725100000000 ] - [ 0.0001180900000000, 0.0016988000000000, 0.0010058100000000 ] - [ -0.0011572100000000, -0.0002827200000000, -0.0001251700000000 ] - [ 0.0015280800000000, -0.0002289900000000, 0.0018610600000000 ] - [ 0.0001219600000000, 0.0000746100000000, -0.0004011500000000 ] - [ -0.0007709300000000, 0.0000388200000000, -0.0002680300000000 ] - [ 0.0012437200000000, 0.0006908100000000, -0.0011018000000000 ] - [ 0.0019494200000000, -0.0004530100000000, -0.0009723000000000 ] - [ -0.0002599800000000, -0.0001991400000000, 0.0000411500000000 ] - [ 0.0000886000000000, -0.0000536600000000, -0.0000461000000000 ] - [ -0.0001312900000000, 0.0001035600000000, 0.0000478400000000 ] - [ 0.0000166200000000, 0.0000493200000000, 0.0002126900000000 ] - [ 0.0000387900000000, -0.0000389000000000, 0.0002110100000000 ] - [ -0.0000549700000000, -0.0000087000000000, 0.0002124200000000 ] - [ -0.0000012200000000, -0.0002911000000000, -0.0000852800000000 ] - [ -0.0002639500000000, 0.0001366000000000, -0.0000958800000000 ] - [ 0.0002769600000000, 0.0001642800000000, -0.0000796500000000 ] - [ 0.0000025600000000, 0.0003338000000000, 0.0002078100000000 ] - [ 0.0002977000000000, -0.0001801900000000, 0.0002391800000000 ] - [ -0.0002818500000000, -0.0001779900000000, 0.0002194000000000 ] - [ -0.0006469600000000, -0.0003015400000000, -0.0001991500000000 ] - [ -0.0000378100000000, 0.0007431600000000, -0.0001911800000000 ] - [ 0.0005989200000000, -0.0004663500000000, -0.0000867700000000 ] - [ 0.0006328600000000, 0.0002886000000000, 0.0003188000000000 ] - [ -0.0000647300000000, -0.0006846300000000, 0.0003194600000000 ] - [ -0.0005657500000000, 0.0003965600000000, 0.0003162100000000 ] - [ 0.0001966700000000, 0.0002333000000000, -0.0000592100000000 ] - [ 0.0001370500000000, -0.0003082900000000, -0.0000612200000000 ] - [ -0.0004109800000000, 0.0000391400000000, -0.0000776500000000 ] - [ -0.0001735300000000, -0.0003026700000000, 0.0002369300000000 ] - [ -0.0001639400000000, 0.0003036600000000, 0.0002348000000000 ] - [ 0.0003409100000000, -0.0000154200000000, 0.0002338300000000 ] - [ -0.0000273900000000, 0.0000891500000000, -0.0000831400000000 ] - [ 0.0000942100000000, -0.0000203200000000, -0.0000798300000000 ] - [ -0.0000632500000000, -0.0000823700000000, -0.0000828700000000 ] - [ 0.0003157500000000, 0.0000082900000000, 0.0002267300000000 ] - [ -0.0000901800000000, -0.0000067200000000, 0.0000323500000000 ] - [ -0.0001023400000000, 0.0001753100000000, 0.0001746300000000 ] - [ -0.0000756800000000, -0.0003844300000000, -0.0000822800000000 ] - [ -0.0002842500000000, 0.0002408500000000, -0.0000885000000000 ] - [ 0.0003375300000000, 0.0001255100000000, -0.0000614700000000 ] - [ -0.0000517800000000, 0.0004827300000000, 0.0002832200000000 ] - [ 0.0004444200000000, -0.0002350000000000, 0.0002763900000000 ] - [ -0.0004134800000000, -0.0002631600000000, 0.0002690800000000 ] - [ -0.0006186800000000, 0.0000027500000000, -0.0001433900000000 ] - [ 0.0003070100000000, 0.0005313600000000, -0.0001416200000000 ] - [ 0.0003088800000000, -0.0005404900000000, -0.0001427700000000 ] - [ 0.0005781100000000, 0.0002325800000000, 0.0004483300000000 ] - [ -0.0002104300000000, -0.0006783800000000, 0.0002254000000000 ] - [ -0.0004542600000000, 0.0005354800000000, 0.0003261600000000 ] - [ 0.0002154700000000, 0.0002144200000000, -0.0001023300000000 ] - [ 0.0000639000000000, -0.0002788800000000, -0.0001079900000000 ] - [ -0.0002779700000000, 0.0000819100000000, -0.0001105200000000 ] - [ -0.0001865000000000, -0.0001450900000000, 0.0002850100000000 ] - [ -0.0000496300000000, 0.0002682200000000, 0.0002785700000000 ] - [ 0.0002395600000000, -0.0000747800000000, 0.0002569500000000 ]- atom: 21 displacement: [ 0.0050000000088145, -0.0086602540327554, 0.0000000000000000 ] forces: - [ -0.0001231900000000, -0.0024192100000000, -0.0000525600000000 ] - [ 0.0003280700000000, -0.0000071400000000, 0.0008284100000000 ] - [ -0.0001028300000000, -0.0000494900000000, -0.0000383000000000 ] - [ 0.0000143300000000, 0.0003868500000000, 0.0005077800000000 ] - [ -0.0000016800000000, -0.0000013000000000, -0.0005579700000000 ] - [ -0.0000417300000000, -0.0000115100000000, 0.0005047900000000 ] - [ 0.0000109600000000, 0.0000100300000000, -0.0001471200000000 ] - [ 0.0000018500000000, -0.0000021700000000, 0.0000767900000000 ] - [ -0.0000090300000000, 0.0000331300000000, -0.0005638500000000 ] - [ -0.0000015400000000, 0.0000025800000000, 0.0004847100000000 ] - [ 0.0000016500000000, -0.0000007700000000, -0.0001442800000000 ] - [ -0.0000125000000000, -0.0000019200000000, 0.0000743700000000 ] - [ 0.0004374700000000, 0.0002739400000000, -0.0000949700000000 ] - [ -0.0000290500000000, -0.0002692700000000, 0.0001214100000000 ] - [ 0.0001001000000000, -0.0003613900000000, 0.0006074500000000 ] - [ 0.0000069000000000, 0.0003639000000000, 0.0007320000000000 ] - [ -0.0001264200000000, 0.0003846900000000, 0.0007482100000000 ] - [ 0.0002537100000000, -0.0001288100000000, -0.0010479800000000 ] - [ 0.0001508400000000, -0.0005365400000000, -0.0002222800000000 ] - [ -0.0002381800000000, -0.0000683300000000, -0.0005677700000000 ] - [ -0.0619418900000000, 0.0290236800000000, -0.0075659300000000 ] - [ -0.0003518600000000, -0.0008823500000000, -0.0000188300000000 ] - [ -0.0000320800000000, 0.0004276200000000, -0.0001245900000000 ] - [ -0.0004387200000000, 0.0001736200000000, -0.0002229000000000 ] - [ 0.0007743500000000, 0.0003378700000000, 0.0006872100000000 ] - [ 0.0019705700000000, -0.0020266600000000, -0.0018414000000000 ] - [ 0.0001322800000000, 0.0002281600000000, -0.0001309500000000 ] - [ 0.0001828200000000, -0.0002627500000000, -0.0002246800000000 ] - [ -0.0001687300000000, 0.0000479500000000, -0.0001700100000000 ] - [ -0.0000487600000000, -0.0002219200000000, 0.0003254500000000 ] - [ -0.0000973200000000, 0.0001921000000000, 0.0003976000000000 ] - [ 0.0001424700000000, 0.0000115200000000, 0.0003137000000000 ] - [ 0.0008083800000000, -0.0003626200000000, 0.0001960500000000 ] - [ 0.0003167700000000, 0.0001788900000000, 0.0000571200000000 ] - [ -0.0000543700000000, 0.0002215500000000, -0.0001128000000000 ] - [ 0.0043461100000000, -0.0030590900000000, 0.0021977600000000 ] - [ 0.0005343700000000, -0.0004864200000000, -0.0005022100000000 ] - [ -0.0006983500000000, -0.0001514300000000, -0.0003422500000000 ] - [ -0.0010293300000000, 0.0002147100000000, 0.0001564600000000 ] - [ 0.0008112100000000, 0.0005084800000000, 0.0003879400000000 ] - [ 0.0006071600000000, -0.0009186200000000, -0.0003075800000000 ] - [ 0.0005956900000000, 0.0006168300000000, 0.0000222700000000 ] - [ -0.0003415900000000, -0.0005984900000000, -0.0003794600000000 ] - [ 0.0004343400000000, 0.0009265400000000, 0.0000358100000000 ] - [ 0.0010437500000000, -0.0000838500000000, -0.0010457500000000 ] - [ 0.0046879300000000, -0.0007756300000000, 0.0004370400000000 ] - [ 0.0003108600000000, 0.0002039900000000, -0.0001756900000000 ] - [ 0.0004564300000000, -0.0004845000000000, 0.0002159400000000 ] - [ 0.0003894500000000, -0.0003380900000000, -0.0000281800000000 ] - [ 0.0001870800000000, -0.0011288800000000, 0.0020264700000000 ] - [ 0.0000006100000000, -0.0000008400000000, -0.0000335400000000 ] - [ -0.0000858000000000, -0.0000601800000000, 0.0001586500000000 ] - [ 0.0001363200000000, -0.0003020000000000, 0.0006502200000000 ] - [ -0.0002845000000000, 0.0001346000000000, 0.0006602100000000 ] - [ 0.0002290900000000, -0.0000916600000000, 0.0005044400000000 ] - [ -0.0000634200000000, 0.0002713700000000, -0.0005325000000000 ] - [ 0.0002662900000000, -0.0000811000000000, -0.0005322500000000 ] - [ -0.0002034200000000, -0.0001912600000000, -0.0005300800000000 ] - [ 0.0003067000000000, -0.0003204600000000, 0.0001681300000000 ] - [ -0.0004241600000000, -0.0001046700000000, 0.0001685900000000 ] - [ 0.0001279700000000, 0.0004331600000000, 0.0001851800000000 ] - [ -0.0002727000000000, 0.0002916900000000, -0.0000747800000000 ] - [ 0.0004047500000000, 0.0001057100000000, -0.0000902200000000 ] - [ -0.0001111300000000, -0.0004045000000000, -0.0000887100000000 ] - [ 0.0000669400000000, 0.0001820700000000, -0.0002393400000000 ] - [ 0.0001260500000000, -0.0001478500000000, -0.0002389200000000 ] - [ -0.0001867400000000, -0.0000267500000000, -0.0002384000000000 ] - [ 0.0000134700000000, -0.0000337400000000, 0.0004641900000000 ] - [ 0.0000018500000000, 0.0001844500000000, 0.0003319900000000 ] - [ 0.0003452800000000, 0.0001077000000000, 0.0000998900000000 ] - [ -0.0000471700000000, -0.0001928100000000, 0.0003180800000000 ] - [ -0.0001532400000000, 0.0001440900000000, 0.0003179600000000 ] - [ 0.0001951100000000, 0.0000334500000000, 0.0003226700000000 ] - [ 0.0000379900000000, 0.0001878100000000, -0.0002181700000000 ] - [ 0.0001344100000000, -0.0001247200000000, -0.0002381600000000 ] - [ -0.0001799600000000, -0.0000664300000000, -0.0002053600000000 ] - [ -0.0008670300000000, 0.0001638300000000, 0.0002056000000000 ] - [ 0.0006375600000000, 0.0006263200000000, 0.0001316100000000 ] - [ 0.0001500900000000, -0.0008380900000000, 0.0001419000000000 ] - [ 0.0008581300000000, -0.0002385800000000, -0.0000508600000000 ] - [ -0.0006305700000000, -0.0006212800000000, -0.0000499200000000 ] - [ -0.0002256300000000, 0.0008545300000000, -0.0000508400000000 ] - [ -0.0000547200000000, -0.0003883600000000, 0.0000519200000000 ] - [ -0.0003139900000000, 0.0002368800000000, 0.0000484500000000 ] - [ 0.0003692200000000, 0.0001451800000000, 0.0000582400000000 ] - [ 0.0000027800000000, 0.0004083400000000, 0.0000442800000000 ] - [ 0.0003415400000000, -0.0001778900000000, 0.0001360300000000 ] - [ -0.0003557300000000, -0.0001921900000000, 0.0000581700000000 ] - [ -0.0000386900000000, 0.0000585100000000, -0.0000430800000000 ] - [ 0.0000006100000000, -0.0000010900000000, 0.0000999500000000 ] - [ 0.0000891900000000, -0.0002822700000000, 0.0006336800000000 ] - [ -0.0002895600000000, 0.0000634900000000, 0.0006327400000000 ] - [ 0.0002001700000000, 0.0002198000000000, 0.0006316600000000 ] - [ -0.0000137000000000, 0.0003655600000000, -0.0005514700000000 ] - [ 0.0002525300000000, -0.0000720000000000, -0.0005614200000000 ] - [ -0.0001593000000000, -0.0001943100000000, -0.0004646600000000 ] - [ 0.0003098300000000, -0.0003203200000000, 0.0001732400000000 ] - [ -0.0004404700000000, -0.0001148300000000, 0.0001909000000000 ] - [ 0.0001273700000000, 0.0004191800000000, 0.0001692200000000 ] - [ -0.0002932900000000, 0.0002972100000000, -0.0000711100000000 ] - [ 0.0004133600000000, 0.0001024000000000, -0.0000856800000000 ] - [ -0.0001170000000000, -0.0004109600000000, -0.0000803700000000 ] - [ 0.0001532100000000, 0.0001201900000000, -0.0003433600000000 ] - [ 0.0000501600000000, -0.0002300300000000, -0.0000037100000000 ] - [ -0.0001683800000000, -0.0001630000000000, -0.0002358900000000 ] - [ -0.0000768600000000, -0.0002042800000000, 0.0003299400000000 ] - [ -0.0001375000000000, 0.0001661300000000, 0.0003308600000000 ] - [ 0.0002099300000000, 0.0000294200000000, 0.0003317300000000 ] - [ -0.0000661800000000, -0.0002145400000000, 0.0003220800000000 ] - [ -0.0001544200000000, 0.0001619400000000, 0.0003177800000000 ] - [ 0.0002183300000000, 0.0000697700000000, 0.0003231200000000 ] - [ 0.0000690900000000, 0.0002129800000000, -0.0002166800000000 ] - [ 0.0001360800000000, -0.0001717900000000, -0.0002229300000000 ] - [ -0.0002110900000000, -0.0000384000000000, -0.0002107700000000 ] - [ -0.0008438500000000, 0.0002437700000000, 0.0001693700000000 ] - [ 0.0006306700000000, 0.0006072700000000, 0.0001683700000000 ] - [ 0.0002122100000000, -0.0008494600000000, 0.0001681200000000 ] - [ 0.0008667400000000, -0.0002167900000000, -0.0000252100000000 ] - [ -0.0006527900000000, -0.0006034900000000, -0.0000487300000000 ] - [ -0.0002287600000000, 0.0008442800000000, -0.0000742200000000 ] - [ -0.0000311900000000, -0.0003719000000000, 0.0000149600000000 ] - [ -0.0003027000000000, 0.0002299500000000, 0.0000497400000000 ] - [ 0.0003500400000000, 0.0001557900000000, 0.0000827400000000 ] - [ 0.0000036700000000, 0.0003679600000000, 0.0000505500000000 ] - [ 0.0003149000000000, -0.0001939600000000, 0.0000434400000000 ] - [ -0.0003245300000000, -0.0001746600000000, 0.0000423900000000 ] - [ 0.0000213300000000, 0.0000175100000000, -0.0001774600000000 ] - [ -0.0000230800000000, 0.0003832700000000, -0.0003069400000000 ] - [ -0.0002706900000000, -0.0005957100000000, 0.0001574700000000 ] - [ 0.0000119200000000, -0.0003633000000000, -0.0002493100000000 ] - [ 0.0000820900000000, 0.0001140200000000, 0.0000862300000000 ] - [ -0.0001304700000000, 0.0000936200000000, -0.0000892700000000 ] - [ -0.0008646200000000, -0.0010864400000000, 0.0002614900000000 ] - [ 0.0329221900000000, -0.0129932400000000, -0.0198959900000000 ] - [ 0.0004568600000000, 0.0009320600000000, 0.0002810800000000 ] - [ -0.0003152300000000, 0.0024105500000000, 0.0000020700000000 ] - [ 0.0005801800000000, 0.0000882500000000, 0.0001553100000000 ] - [ 0.0171302500000000, -0.0074976600000000, 0.0239458600000000 ] - [ -0.0010873800000000, 0.0005112200000000, -0.0007500900000000 ] - [ 0.0001917000000000, 0.0009782200000000, -0.0003602100000000 ] - [ 0.0005887400000000, -0.0003153300000000, -0.0003869600000000 ] - [ 0.0004123300000000, -0.0000861900000000, 0.0002957100000000 ] - [ -0.0009681200000000, -0.0009802900000000, 0.0007956600000000 ] - [ -0.0007331000000000, -0.0006193900000000, -0.0005850700000000 ] - [ 0.0015545800000000, 0.0006089400000000, -0.0002477200000000 ] - [ -0.0014475800000000, -0.0002651900000000, -0.0022229200000000 ] - [ -0.0005945100000000, 0.0001034100000000, 0.0000280500000000 ] - [ 0.0003535700000000, -0.0004622300000000, 0.0006571900000000 ] - [ -0.0013957300000000, -0.0001346300000000, 0.0014819500000000 ] - [ -0.0013909100000000, 0.0003051600000000, 0.0013679000000000 ] - [ 0.0002150800000000, 0.0001208700000000, -0.0003315500000000 ] - [ -0.0001419500000000, 0.0001310900000000, -0.0002401800000000 ] - [ 0.0002280300000000, -0.0001137100000000, -0.0003325100000000 ] - [ 0.0000285500000000, 0.0000291000000000, 0.0000772200000000 ] - [ 0.0000135100000000, -0.0000377800000000, 0.0000736200000000 ] - [ -0.0000382600000000, 0.0000133400000000, 0.0000754800000000 ] - [ 0.0000011900000000, -0.0003504900000000, -0.0002201500000000 ] - [ -0.0002875600000000, 0.0001705300000000, -0.0002088900000000 ] - [ 0.0002657500000000, 0.0001839200000000, -0.0002269800000000 ] - [ -0.0000022800000000, 0.0003069800000000, 0.0000972300000000 ] - [ 0.0002535600000000, -0.0001259700000000, 0.0000647800000000 ] - [ -0.0002612200000000, -0.0001702800000000, 0.0000869900000000 ] - [ -0.0006081100000000, -0.0002846200000000, -0.0002977400000000 ] - [ 0.0001603500000000, 0.0006228100000000, -0.0003082000000000 ] - [ 0.0005337600000000, -0.0003256800000000, -0.0004101400000000 ] - [ 0.0006222000000000, 0.0002988900000000, 0.0001780000000000 ] - [ -0.0000571500000000, -0.0006825500000000, 0.0001795800000000 ] - [ -0.0005676700000000, 0.0003959300000000, 0.0001791900000000 ] - [ 0.0001829400000000, 0.0003425500000000, -0.0002394800000000 ] - [ 0.0001699500000000, -0.0003070900000000, -0.0002376000000000 ] - [ -0.0002765700000000, -0.0000005300000000, -0.0002214600000000 ] - [ -0.0002054400000000, -0.0002726600000000, 0.0000608900000000 ] - [ -0.0001424900000000, 0.0003116400000000, 0.0000635900000000 ] - [ 0.0003476200000000, -0.0000242200000000, 0.0000647900000000 ] - [ -0.0000202600000000, 0.0000634200000000, -0.0002207100000000 ] - [ 0.0000710000000000, -0.0000216700000000, -0.0002190800000000 ] - [ -0.0000476100000000, -0.0000598000000000, -0.0002181000000000 ] - [ 0.0001481100000000, -0.0000659900000000, -0.0000552400000000 ] - [ -0.0001831000000000, -0.0003499900000000, 0.0001359600000000 ] - [ -0.0000781200000000, 0.0002342800000000, -0.0000036400000000 ] - [ -0.0000627900000000, -0.0003686700000000, -0.0002016300000000 ] - [ -0.0002904500000000, 0.0002329100000000, -0.0001942700000000 ] - [ 0.0003713700000000, 0.0001236800000000, -0.0002256100000000 ] - [ -0.0000183600000000, 0.0004911300000000, 0.0001328200000000 ] - [ 0.0004188600000000, -0.0002093200000000, 0.0001401800000000 ] - [ -0.0004104400000000, -0.0002577900000000, 0.0001486100000000 ] - [ -0.0006238600000000, 0.0000072900000000, -0.0002836700000000 ] - [ 0.0003193500000000, 0.0005358300000000, -0.0002868400000000 ] - [ 0.0003049900000000, -0.0005454800000000, -0.0002839500000000 ] - [ 0.0006909200000000, 0.0001015700000000, 0.0000969200000000 ] - [ -0.0001362400000000, -0.0005924800000000, 0.0003209100000000 ] - [ -0.0004725200000000, 0.0004027400000000, 0.0002174800000000 ] - [ 0.0002006900000000, 0.0002128300000000, -0.0002823700000000 ] - [ 0.0000913700000000, -0.0002740400000000, -0.0002788900000000 ] - [ -0.0002843800000000, 0.0000642200000000, -0.0002769200000000 ] - [ -0.0002113800000000, -0.0001753700000000, 0.0000885200000000 ] - [ -0.0000259700000000, 0.0002337500000000, 0.0000966500000000 ] - [ 0.0002318900000000, -0.0001045900000000, 0.0001182100000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000312200000000, -0.0006200400000000, -0.0002698800000000 ] - [ -0.0000870800000000, -0.0002312300000000, 0.0004331400000000 ] - [ 0.0000630200000000, 0.0000229500000000, 0.0000019800000000 ] - [ 0.0000350300000000, -0.0000329700000000, 0.0002823300000000 ] - [ -0.0000036100000000, -0.0000016800000000, -0.0006160400000000 ] - [ -0.0000123300000000, 0.0000056700000000, 0.0004282300000000 ] - [ -0.0000037200000000, 0.0000031500000000, -0.0001817500000000 ] - [ 0.0000017400000000, -0.0000014100000000, 0.0000209100000000 ] - [ -0.0000351900000000, 0.0000621300000000, -0.0006370000000000 ] - [ -0.0000020000000000, 0.0000018600000000, 0.0004262500000000 ] - [ 0.0000012700000000, -0.0000019000000000, -0.0001994900000000 ] - [ 0.0000115200000000, 0.0000098100000000, 0.0000208300000000 ] - [ -0.0000689100000000, 0.0002275900000000, -0.0000607000000000 ] - [ 0.0001370600000000, -0.0003607900000000, 0.0000719800000000 ] - [ 0.0001405600000000, -0.0003154400000000, 0.0006264100000000 ] - [ -0.0001504000000000, 0.0002772800000000, 0.0007775200000000 ] - [ -0.0000861300000000, 0.0004027100000000, 0.0007907900000000 ] - [ -0.0004868600000000, 0.0004717000000000, -0.0008128400000000 ] - [ 0.0001228000000000, -0.0004351600000000, -0.0003261500000000 ] - [ -0.0002764300000000, 0.0000457300000000, -0.0005576300000000 ] - [ -0.0041459000000000, 0.0062337300000000, -0.0779405000000000 ] - [ -0.0001800600000000, -0.0001345300000000, -0.0003916300000000 ] - [ -0.0000376200000000, 0.0003517200000000, -0.0003938200000000 ] - [ -0.0003866800000000, 0.0003637000000000, -0.0004041500000000 ] - [ 0.0021007400000000, -0.0004928000000000, -0.0001114200000000 ] - [ -0.0017355400000000, 0.0014567200000000, -0.0001134200000000 ] - [ -0.0000309900000000, 0.0001483300000000, -0.0003848400000000 ] - [ 0.0001788000000000, -0.0002085000000000, -0.0002259300000000 ] - [ -0.0001876800000000, -0.0000121300000000, -0.0000927400000000 ] - [ -0.0000611100000000, -0.0002155500000000, 0.0003441900000000 ] - [ -0.0000028000000000, 0.0001915100000000, 0.0004501500000000 ] - [ 0.0002027800000000, 0.0001070000000000, 0.0003523600000000 ] - [ -0.0000221000000000, -0.0002094800000000, -0.0000738000000000 ] - [ 0.0001363900000000, 0.0001597700000000, -0.0002728600000000 ] - [ -0.0008327000000000, -0.0000877100000000, -0.0001851300000000 ] - [ 0.0006920100000000, 0.0003304500000000, -0.0006819000000000 ] - [ 0.0000305700000000, -0.0002873900000000, -0.0009793700000000 ] - [ -0.0003693600000000, -0.0003015900000000, -0.0007167800000000 ] - [ -0.0010023100000000, 0.0000491000000000, 0.0000507200000000 ] - [ 0.0007925100000000, 0.0005618300000000, 0.0000363600000000 ] - [ -0.0000137600000000, -0.0008892100000000, 0.0001875600000000 ] - [ 0.0022274900000000, 0.0014901500000000, 0.0016165800000000 ] - [ -0.0005688500000000, -0.0004789800000000, -0.0004038600000000 ] - [ 0.0002320500000000, 0.0006758000000000, 0.0001079500000000 ] - [ -0.0003955700000000, -0.0004184400000000, 0.0001703300000000 ] - [ 0.0034663900000000, -0.0010491900000000, -0.0003129700000000 ] - [ 0.0002792100000000, 0.0003195500000000, -0.0003967500000000 ] - [ 0.0000495200000000, 0.0006426100000000, -0.0003621600000000 ] - [ 0.0002153900000000, -0.0003684400000000, -0.0002819300000000 ] - [ 0.0011665900000000, -0.0033195200000000, 0.0046644000000000 ] - [ 0.0000026200000000, 0.0000004400000000, 0.0000335800000000 ] - [ -0.0001133600000000, -0.0001197200000000, 0.0002181900000000 ] - [ 0.0000971800000000, -0.0003286500000000, 0.0006717500000000 ] - [ -0.0004336600000000, 0.0001506200000000, 0.0006803700000000 ] - [ 0.0001383500000000, 0.0002747100000000, 0.0007491300000000 ] - [ -0.0000394200000000, 0.0002525900000000, -0.0004482400000000 ] - [ 0.0002372700000000, -0.0000927100000000, -0.0004477800000000 ] - [ -0.0001973100000000, -0.0001619400000000, -0.0004460300000000 ] - [ 0.0003217800000000, -0.0003418700000000, 0.0002341900000000 ] - [ -0.0004530200000000, -0.0001106400000000, 0.0002357500000000 ] - [ 0.0001447800000000, 0.0004634800000000, 0.0002738100000000 ] - [ -0.0002548500000000, 0.0002710200000000, -0.0000105700000000 ] - [ 0.0003755300000000, 0.0000944900000000, -0.0000219100000000 ] - [ -0.0001041000000000, -0.0003751600000000, -0.0000208300000000 ] - [ 0.0000583100000000, 0.0001730300000000, -0.0001625500000000 ] - [ 0.0001217700000000, -0.0001364400000000, -0.0001624600000000 ] - [ -0.0001749400000000, -0.0000286200000000, -0.0001600100000000 ] - [ -0.0000088000000000, -0.0002075900000000, 0.0003665200000000 ] - [ 0.0002970300000000, 0.0003941500000000, 0.0005965500000000 ] - [ 0.0001100500000000, 0.0000451800000000, 0.0003122600000000 ] - [ -0.0000629600000000, -0.0002005800000000, 0.0004000000000000 ] - [ -0.0001544100000000, 0.0001594800000000, 0.0004109900000000 ] - [ 0.0002066000000000, 0.0000328500000000, 0.0004185800000000 ] - [ 0.0000261200000000, 0.0001822600000000, -0.0001283900000000 ] - [ 0.0001266400000000, -0.0001178400000000, -0.0001414500000000 ] - [ -0.0001628700000000, -0.0000633900000000, -0.0001212800000000 ] - [ -0.0008527000000000, 0.0001581000000000, 0.0002703900000000 ] - [ 0.0006339900000000, 0.0006085700000000, 0.0001938400000000 ] - [ 0.0002023500000000, -0.0008088700000000, 0.0001345900000000 ] - [ 0.0008480200000000, -0.0002361900000000, 0.0000402500000000 ] - [ -0.0006254000000000, -0.0006135500000000, 0.0000378800000000 ] - [ -0.0002223700000000, 0.0008451000000000, 0.0000395800000000 ] - [ -0.0000882600000000, -0.0003796500000000, 0.0001334800000000 ] - [ -0.0002939300000000, 0.0002652600000000, 0.0001318700000000 ] - [ 0.0003822900000000, 0.0001169700000000, 0.0001361300000000 ] - [ -0.0000303400000000, 0.0004159400000000, 0.0001205300000000 ] - [ 0.0004175700000000, -0.0001279300000000, 0.0003729100000000 ] - [ -0.0003302500000000, -0.0002158000000000, 0.0001009600000000 ] - [ 0.0000066700000000, 0.0000542900000000, 0.0000132400000000 ] - [ -0.0000018300000000, -0.0000014400000000, 0.0001659000000000 ] - [ 0.0001138900000000, -0.0003008600000000, 0.0007183300000000 ] - [ -0.0003169100000000, 0.0000533200000000, 0.0007162200000000 ] - [ 0.0002047500000000, 0.0002479200000000, 0.0007152000000000 ] - [ -0.0000375800000000, 0.0003220100000000, -0.0004109800000000 ] - [ 0.0001686200000000, -0.0001648900000000, -0.0004799400000000 ] - [ -0.0001714600000000, -0.0002181800000000, -0.0005022900000000 ] - [ 0.0003200400000000, -0.0003425400000000, 0.0002375100000000 ] - [ -0.0004741000000000, -0.0001281400000000, 0.0002783900000000 ] - [ 0.0001362400000000, 0.0004488600000000, 0.0002376600000000 ] - [ -0.0002694000000000, 0.0002779100000000, -0.0000072200000000 ] - [ 0.0003851100000000, 0.0001015000000000, -0.0000112000000000 ] - [ -0.0001121300000000, -0.0003855100000000, -0.0000098900000000 ] - [ -0.0000305400000000, 0.0002302800000000, -0.0002429400000000 ] - [ 0.0001252600000000, -0.0004020600000000, 0.0003324900000000 ] - [ -0.0001302100000000, -0.0000714200000000, -0.0002648100000000 ] - [ -0.0000849400000000, -0.0002134600000000, 0.0004068000000000 ] - [ -0.0001421200000000, 0.0001783900000000, 0.0004073700000000 ] - [ 0.0002218500000000, 0.0000274300000000, 0.0004088100000000 ] - [ -0.0000682200000000, -0.0002176600000000, 0.0004152600000000 ] - [ -0.0001579800000000, 0.0001753300000000, 0.0003962600000000 ] - [ 0.0002306800000000, 0.0000586100000000, 0.0004082700000000 ] - [ 0.0000614400000000, 0.0002103700000000, -0.0001237400000000 ] - [ 0.0001283800000000, -0.0001643700000000, -0.0001355800000000 ] - [ -0.0001962200000000, -0.0000481700000000, -0.0001317100000000 ] - [ -0.0008536700000000, 0.0002445400000000, 0.0002558500000000 ] - [ 0.0006373800000000, 0.0006161600000000, 0.0002598300000000 ] - [ 0.0002151200000000, -0.0008598300000000, 0.0002572300000000 ] - [ 0.0008708100000000, -0.0002271400000000, 0.0000321400000000 ] - [ -0.0006191900000000, -0.0005844300000000, 0.0000488300000000 ] - [ -0.0002258100000000, 0.0008543500000000, -0.0000163800000000 ] - [ -0.0000754800000000, -0.0003486600000000, 0.0001400800000000 ] - [ -0.0002955700000000, 0.0002526000000000, 0.0001083300000000 ] - [ 0.0003747400000000, 0.0001353900000000, 0.0001448000000000 ] - [ -0.0000361600000000, 0.0003722600000000, 0.0001388200000000 ] - [ 0.0003338600000000, -0.0001683200000000, 0.0001204400000000 ] - [ -0.0003135400000000, -0.0002078300000000, 0.0001220200000000 ] - [ 0.0001689900000000, 0.0002639600000000, -0.0003113800000000 ] - [ 0.0000237000000000, 0.0002382200000000, -0.0002313100000000 ] - [ 0.0001278500000000, -0.0002865100000000, -0.0002821800000000 ] - [ 0.0003877300000000, -0.0007930200000000, -0.0004887200000000 ] - [ -0.0002423700000000, -0.0000598100000000, 0.0005930300000000 ] - [ -0.0000074600000000, 0.0001597000000000, -0.0001002500000000 ] - [ -0.0004000200000000, -0.0006004900000000, 0.0011556700000000 ] - [ -0.0271759900000000, 0.0082777200000000, 0.0207210600000000 ] - [ 0.0003964400000000, 0.0003242000000000, 0.0002634200000000 ] - [ 0.0002377300000000, -0.0005986500000000, 0.0014942900000000 ] - [ 0.0004109300000000, -0.0001171800000000, 0.0005218200000000 ] - [ 0.0267728600000000, -0.0124741100000000, 0.0471542900000000 ] - [ -0.0022359200000000, 0.0012030200000000, -0.0010346900000000 ] - [ -0.0000788700000000, 0.0005894000000000, -0.0003030300000000 ] - [ 0.0005779400000000, -0.0002265700000000, -0.0001708400000000 ] - [ 0.0004902300000000, -0.0003169500000000, 0.0005129300000000 ] - [ -0.0003008200000000, -0.0006519700000000, -0.0000741200000000 ] - [ -0.0004809600000000, 0.0002236800000000, -0.0002932900000000 ] - [ 0.0014244500000000, 0.0012778300000000, 0.0003629300000000 ] - [ -0.0000739900000000, -0.0002029800000000, 0.0003709500000000 ] - [ -0.0001584100000000, 0.0001616700000000, 0.0004522100000000 ] - [ -0.0003206700000000, -0.0003535800000000, 0.0013992200000000 ] - [ -0.0001919100000000, -0.0002440900000000, 0.0009133100000000 ] - [ -0.0009902900000000, 0.0003446200000000, 0.0019747700000000 ] - [ 0.0001258100000000, -0.0000262800000000, -0.0002326900000000 ] - [ -0.0000825900000000, 0.0002137700000000, -0.0003242100000000 ] - [ 0.0004015600000000, -0.0002920200000000, 0.0000878400000000 ] - [ 0.0000353900000000, 0.0000095400000000, -0.0000343700000000 ] - [ -0.0000067000000000, -0.0000365700000000, -0.0000370700000000 ] - [ -0.0000269500000000, 0.0000318200000000, -0.0000368900000000 ] - [ -0.0000030700000000, -0.0003843300000000, -0.0003346300000000 ] - [ -0.0002895700000000, 0.0001769400000000, -0.0003178400000000 ] - [ 0.0002807800000000, 0.0001926500000000, -0.0003284900000000 ] - [ 0.0000030200000000, 0.0002939900000000, -0.0000046100000000 ] - [ 0.0002118200000000, -0.0000786600000000, -0.0000600300000000 ] - [ -0.0002529400000000, -0.0001511500000000, -0.0000253100000000 ] - [ -0.0006535000000000, -0.0003149100000000, -0.0003401300000000 ] - [ 0.0001247100000000, 0.0006176300000000, -0.0004352000000000 ] - [ 0.0006075000000000, -0.0002490900000000, -0.0003314000000000 ] - [ 0.0006194400000000, 0.0003006500000000, 0.0000624600000000 ] - [ -0.0000535700000000, -0.0006821800000000, 0.0000629500000000 ] - [ -0.0005694700000000, 0.0003908300000000, 0.0000630100000000 ] - [ 0.0001730900000000, 0.0003132700000000, -0.0003899200000000 ] - [ 0.0002030800000000, -0.0002837300000000, -0.0003629800000000 ] - [ -0.0002295800000000, -0.0000378700000000, -0.0003679400000000 ] - [ -0.0002198500000000, -0.0002703600000000, -0.0000847900000000 ] - [ -0.0001221900000000, 0.0003185500000000, -0.0000735600000000 ] - [ 0.0003485900000000, -0.0000402300000000, -0.0000788400000000 ] - [ -0.0000102500000000, 0.0000473700000000, -0.0003299000000000 ] - [ 0.0000501800000000, -0.0000203700000000, -0.0003313600000000 ] - [ -0.0000355900000000, -0.0000425200000000, -0.0003285400000000 ] - [ 0.0001196700000000, 0.0000187900000000, -0.0001069700000000 ] - [ -0.0002498800000000, -0.0003806200000000, -0.0001710100000000 ] - [ 0.0000073700000000, 0.0002691800000000, 0.0000221900000000 ] - [ -0.0000695900000000, -0.0004084800000000, -0.0003160700000000 ] - [ -0.0003003300000000, 0.0002386900000000, -0.0002972300000000 ] - [ 0.0003608600000000, 0.0001278700000000, -0.0003289300000000 ] - [ -0.0000050000000000, 0.0004883600000000, 0.0000185900000000 ] - [ 0.0004024400000000, -0.0002013500000000, 0.0000411600000000 ] - [ -0.0003909000000000, -0.0002515500000000, 0.0000358500000000 ] - [ -0.0006283300000000, 0.0000118900000000, -0.0003959700000000 ] - [ 0.0003307500000000, 0.0005396500000000, -0.0004021800000000 ] - [ 0.0003058900000000, -0.0005513600000000, -0.0003950700000000 ] - [ 0.0006364100000000, 0.0000602700000000, 0.0000077000000000 ] - [ -0.0001797500000000, -0.0006567800000000, 0.0001279900000000 ] - [ -0.0004549000000000, 0.0003963200000000, 0.0001651400000000 ] - [ 0.0001841400000000, 0.0002305200000000, -0.0004165200000000 ] - [ 0.0001039100000000, -0.0002691200000000, -0.0004237700000000 ] - [ -0.0002820400000000, 0.0000510200000000, -0.0004169800000000 ] - [ -0.0002518200000000, -0.0001551600000000, -0.0000256700000000 ] - [ -0.0000162000000000, 0.0002362600000000, -0.0000643200000000 ] - [ 0.0002533200000000, -0.0001114400000000, -0.0000090600000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000288200000000, 0.0006040300000000, -0.0007656100000000 ] - [ 0.0000883400000000, 0.0002325200000000, 0.0006059400000000 ] - [ -0.0000606100000000, -0.0000212200000000, -0.0002278600000000 ] - [ -0.0000358300000000, 0.0000344900000000, -0.0000611700000000 ] - [ 0.0000042700000000, 0.0000009100000000, -0.0004274400000000 ] - [ 0.0000116800000000, -0.0000044200000000, 0.0006148700000000 ] - [ 0.0000044900000000, -0.0000014100000000, -0.0000394600000000 ] - [ -0.0000024300000000, -0.0000002400000000, 0.0002005000000000 ] - [ 0.0000349200000000, -0.0000644100000000, -0.0004040200000000 ] - [ -0.0000003100000000, -0.0000003200000000, 0.0006151800000000 ] - [ 0.0000008700000000, 0.0000019400000000, -0.0000216900000000 ] - [ -0.0000136700000000, -0.0000114200000000, 0.0002037100000000 ] - [ 0.0000658200000000, -0.0002277800000000, -0.0000576500000000 ] - [ -0.0001419800000000, 0.0003653300000000, 0.0000787500000000 ] - [ 0.0000165000000000, -0.0002555000000000, 0.0005344100000000 ] - [ -0.0004188800000000, -0.0001240600000000, 0.0003871600000000 ] - [ 0.0005023600000000, 0.0000154200000000, 0.0003672900000000 ] - [ 0.0003385300000000, 0.0000668200000000, -0.0003585000000000 ] - [ 0.0004211800000000, 0.0002983300000000, -0.0008400200000000 ] - [ -0.0001185300000000, -0.0004440900000000, -0.0006021000000000 ] - [ 0.0054219500000000, -0.0072767800000000, 0.0795079900000000 ] - [ -0.0006696400000000, -0.0000804800000000, 0.0006353800000000 ] - [ 0.0002746600000000, 0.0004969000000000, 0.0006332300000000 ] - [ -0.0002083900000000, 0.0002515800000000, 0.0001441700000000 ] - [ -0.0012892200000000, 0.0006947700000000, -0.0001546300000000 ] - [ 0.0015084200000000, -0.0023047600000000, -0.0001564400000000 ] - [ 0.0001726000000000, 0.0002460500000000, -0.0001882400000000 ] - [ 0.0000924600000000, -0.0001107300000000, -0.0003414000000000 ] - [ -0.0002172200000000, -0.0000502100000000, -0.0004771600000000 ] - [ -0.0000408100000000, -0.0001700400000000, 0.0002387200000000 ] - [ -0.0002795400000000, 0.0000864400000000, 0.0001323200000000 ] - [ 0.0001731600000000, -0.0000131900000000, 0.0002341900000000 ] - [ -0.0001352300000000, -0.0002127600000000, 0.0006115200000000 ] - [ -0.0004205800000000, 0.0001860800000000, 0.0008121900000000 ] - [ 0.0012772900000000, 0.0001690000000000, 0.0007310900000000 ] - [ -0.0005723300000000, 0.0001023500000000, 0.0001556500000000 ] - [ 0.0002880500000000, -0.0000262700000000, 0.0004418900000000 ] - [ -0.0000569200000000, 0.0001769800000000, 0.0001817000000000 ] - [ -0.0007219800000000, 0.0004423000000000, 0.0001616600000000 ] - [ 0.0004898000000000, 0.0006824500000000, 0.0001759700000000 ] - [ 0.0004521400000000, -0.0008412600000000, 0.0000263000000000 ] - [ -0.0005347300000000, -0.0019563900000000, -0.0018291500000000 ] - [ -0.0006848100000000, -0.0007248500000000, 0.0001749700000000 ] - [ -0.0006520700000000, 0.0010096100000000, -0.0003324800000000 ] - [ 0.0003267700000000, -0.0003083000000000, -0.0001564900000000 ] - [ -0.0040927100000000, 0.0014710000000000, 0.0003053200000000 ] - [ 0.0003884000000000, -0.0000039900000000, 0.0004075100000000 ] - [ -0.0000012300000000, 0.0001060200000000, 0.0003411300000000 ] - [ 0.0004176700000000, -0.0000492400000000, 0.0002602600000000 ] - [ -0.0018440000000000, 0.0030204400000000, -0.0047803200000000 ] - [ -0.0000019500000000, -0.0000002900000000, -0.0001817500000000 ] - [ 0.0001102100000000, 0.0001174200000000, -0.0000684800000000 ] - [ 0.0000560700000000, -0.0002370200000000, 0.0004948000000000 ] - [ -0.0001336500000000, -0.0000003500000000, 0.0004869100000000 ] - [ 0.0002739400000000, 0.0001454000000000, 0.0004162800000000 ] - [ -0.0001156000000000, 0.0003135700000000, -0.0007192400000000 ] - [ 0.0003280400000000, -0.0000576100000000, -0.0007189900000000 ] - [ -0.0002149200000000, -0.0002564000000000, -0.0007190400000000 ] - [ 0.0002671200000000, -0.0002727200000000, 0.0000189000000000 ] - [ -0.0003714200000000, -0.0000894900000000, 0.0000179500000000 ] - [ 0.0000934500000000, 0.0003527900000000, -0.0000219000000000 ] - [ -0.0003344000000000, 0.0003433900000000, -0.0002422900000000 ] - [ 0.0004490300000000, 0.0001057700000000, -0.0002320300000000 ] - [ -0.0001339400000000, -0.0004419500000000, -0.0002309200000000 ] - [ 0.0000849900000000, 0.0002037300000000, -0.0004094500000000 ] - [ 0.0001333800000000, -0.0001736300000000, -0.0004102200000000 ] - [ -0.0002134200000000, -0.0000241100000000, -0.0004164100000000 ] - [ -0.0001350500000000, -0.0001708600000000, 0.0002032500000000 ] - [ -0.0005458600000000, -0.0000823400000000, -0.0000195900000000 ] - [ 0.0002770500000000, 0.0000076800000000, 0.0002652900000000 ] - [ -0.0000350200000000, -0.0001812300000000, 0.0001353900000000 ] - [ -0.0001275400000000, 0.0001130200000000, 0.0001263500000000 ] - [ 0.0001663200000000, 0.0000780500000000, 0.0001180700000000 ] - [ 0.0000714900000000, 0.0001996800000000, -0.0004065800000000 ] - [ 0.0001545200000000, -0.0001544000000000, -0.0003957500000000 ] - [ -0.0002094900000000, -0.0000470400000000, -0.0004151800000000 ] - [ -0.0008716500000000, 0.0003139400000000, -0.0000589000000000 ] - [ 0.0006352700000000, 0.0006431200000000, 0.0000169300000000 ] - [ 0.0002511800000000, -0.0009137200000000, 0.0000746100000000 ] - [ 0.0008776500000000, -0.0002378000000000, -0.0002505200000000 ] - [ -0.0006442600000000, -0.0006383100000000, -0.0002488000000000 ] - [ -0.0002312100000000, 0.0008785800000000, -0.0002505900000000 ] - [ 0.0000221500000000, -0.0004038100000000, -0.0001250500000000 ] - [ -0.0003530700000000, 0.0001828100000000, -0.0001231900000000 ] - [ 0.0003352700000000, 0.0002222500000000, -0.0001259100000000 ] - [ 0.0000960500000000, 0.0003680500000000, -0.0001283200000000 ] - [ 0.0002314200000000, -0.0003187600000000, -0.0003755400000000 ] - [ -0.0003868200000000, -0.0001233700000000, -0.0001116200000000 ] - [ -0.0000034900000000, -0.0000554700000000, -0.0001636400000000 ] - [ 0.0000009400000000, 0.0000011200000000, -0.0000477700000000 ] - [ 0.0000364800000000, -0.0002407900000000, 0.0004441400000000 ] - [ -0.0002263300000000, 0.0000880800000000, 0.0004456900000000 ] - [ 0.0001881200000000, 0.0001548000000000, 0.0004440400000000 ] - [ -0.0001181800000000, 0.0002484800000000, -0.0007486300000000 ] - [ 0.0004021000000000, 0.0000130500000000, -0.0006809400000000 ] - [ -0.0002441500000000, -0.0002007100000000, -0.0006551700000000 ] - [ 0.0002741100000000, -0.0002721400000000, 0.0000224200000000 ] - [ -0.0003544900000000, -0.0000756700000000, -0.0000175500000000 ] - [ 0.0001007500000000, 0.0003721500000000, 0.0000199700000000 ] - [ -0.0003453500000000, 0.0003498100000000, -0.0002361300000000 ] - [ 0.0004651400000000, 0.0001151100000000, -0.0002332600000000 ] - [ -0.0001242500000000, -0.0004621500000000, -0.0002318200000000 ] - [ 0.0001320700000000, 0.0001563700000000, -0.0003388700000000 ] - [ 0.0001573600000000, 0.0001260900000000, -0.0009232200000000 ] - [ -0.0002459600000000, -0.0000223700000000, -0.0003203200000000 ] - [ -0.0000584300000000, -0.0001822000000000, 0.0001598100000000 ] - [ -0.0001287900000000, 0.0001410400000000, 0.0001589400000000 ] - [ 0.0001830800000000, 0.0000349300000000, 0.0001610500000000 ] - [ -0.0000451900000000, -0.0002168200000000, 0.0001178100000000 ] - [ -0.0001606800000000, 0.0001368800000000, 0.0001400100000000 ] - [ 0.0001952100000000, 0.0000649700000000, 0.0001280500000000 ] - [ 0.0000980900000000, 0.0002116700000000, -0.0004139800000000 ] - [ 0.0001567300000000, -0.0001814000000000, -0.0004046600000000 ] - [ -0.0002431400000000, -0.0000277600000000, -0.0004085900000000 ] - [ -0.0008228300000000, 0.0002390600000000, -0.0000292900000000 ] - [ 0.0006179700000000, 0.0005886800000000, -0.0000327700000000 ] - [ 0.0002051400000000, -0.0008277700000000, -0.0000296500000000 ] - [ 0.0008543700000000, -0.0002642300000000, -0.0002435300000000 ] - [ -0.0006637900000000, -0.0006594600000000, -0.0002593100000000 ] - [ -0.0002139400000000, 0.0008778400000000, -0.0001960400000000 ] - [ 0.0000274400000000, -0.0004017100000000, -0.0001180300000000 ] - [ -0.0003366300000000, 0.0001649300000000, -0.0000849500000000 ] - [ 0.0003051000000000, 0.0002042300000000, -0.0001203200000000 ] - [ 0.0000995300000000, 0.0003549900000000, -0.0001498800000000 ] - [ 0.0002677300000000, -0.0002502400000000, -0.0001314800000000 ] - [ -0.0003539700000000, -0.0001068000000000, -0.0001343300000000 ] - [ -0.0006364300000000, -0.0002044200000000, 0.0001399600000000 ] - [ 0.0002482400000000, 0.0001164200000000, 0.0000629700000000 ] - [ 0.0000520900000000, -0.0001244900000000, 0.0001098100000000 ] - [ -0.0003340700000000, 0.0006377500000000, 0.0007880900000000 ] - [ 0.0000688000000000, 0.0001004500000000, -0.0002867100000000 ] - [ 0.0001218200000000, -0.0000169300000000, 0.0004030500000000 ] - [ 0.0004623400000000, -0.0003727000000000, -0.0015647400000000 ] - [ 0.0268066500000000, -0.0079690300000000, -0.0211623900000000 ] - [ 0.0004259800000000, 0.0001959100000000, -0.0006795400000000 ] - [ -0.0000956500000000, 0.0013510800000000, -0.0012149900000000 ] - [ 0.0001636900000000, -0.0003560600000000, -0.0002405500000000 ] - [ -0.0286383500000000, 0.0127533900000000, -0.0480765100000000 ] - [ 0.0009830300000000, -0.0015475900000000, 0.0004934100000000 ] - [ 0.0004284700000000, 0.0006820000000000, -0.0002412600000000 ] - [ 0.0003488700000000, -0.0007157300000000, -0.0003718500000000 ] - [ 0.0007508800000000, 0.0003050100000000, -0.0000848100000000 ] - [ -0.0003243300000000, -0.0004160400000000, 0.0004964300000000 ] - [ -0.0001300800000000, 0.0008733000000000, 0.0007218100000000 ] - [ -0.0010347400000000, -0.0009583400000000, -0.0007457200000000 ] - [ 0.0001454900000000, -0.0002998500000000, -0.0007543000000000 ] - [ -0.0003141700000000, 0.0000166000000000, -0.0008266400000000 ] - [ -0.0000906800000000, -0.0000696800000000, -0.0010104300000000 ] - [ 0.0000309500000000, 0.0007910900000000, -0.0005212000000000 ] - [ 0.0015608700000000, -0.0004928200000000, -0.0015867900000000 ] - [ -0.0001736400000000, -0.0000518800000000, -0.0000534800000000 ] - [ 0.0000301500000000, -0.0001374300000000, 0.0000383100000000 ] - [ -0.0003043700000000, 0.0002881300000000, -0.0003624100000000 ] - [ 0.0000091600000000, 0.0000688600000000, 0.0003235800000000 ] - [ 0.0000591500000000, -0.0000396000000000, 0.0003208400000000 ] - [ -0.0000660300000000, -0.0000274700000000, 0.0003241900000000 ] - [ 0.0000026800000000, -0.0002574600000000, 0.0000292400000000 ] - [ -0.0002621500000000, 0.0001307700000000, 0.0000134900000000 ] - [ 0.0002622400000000, 0.0001554100000000, 0.0000223100000000 ] - [ -0.0000024800000000, 0.0003467700000000, 0.0003094700000000 ] - [ 0.0003385400000000, -0.0002268600000000, 0.0003632800000000 ] - [ -0.0002905300000000, -0.0001968400000000, 0.0003309800000000 ] - [ -0.0006040700000000, -0.0002719400000000, -0.0001541500000000 ] - [ -0.0000011100000000, 0.0007495500000000, -0.0000621400000000 ] - [ 0.0005281400000000, -0.0005463500000000, -0.0001554500000000 ] - [ 0.0006378200000000, 0.0002862500000000, 0.0004320000000000 ] - [ -0.0000700600000000, -0.0006864000000000, 0.0004338400000000 ] - [ -0.0005645600000000, 0.0004040100000000, 0.0004300500000000 ] - [ 0.0002064000000000, 0.0002631100000000, 0.0000921000000000 ] - [ 0.0001050200000000, -0.0003321200000000, 0.0000648000000000 ] - [ -0.0004575600000000, 0.0000764400000000, 0.0000692300000000 ] - [ -0.0001595400000000, -0.0003057700000000, 0.0003816000000000 ] - [ -0.0001847900000000, 0.0002974200000000, 0.0003711600000000 ] - [ 0.0003408900000000, 0.0000010000000000, 0.0003765800000000 ] - [ -0.0000370200000000, 0.0001053500000000, 0.0000265600000000 ] - [ 0.0001147700000000, -0.0000221200000000, 0.0000329900000000 ] - [ -0.0000758800000000, -0.0000990400000000, 0.0000280900000000 ] - [ 0.0003449300000000, -0.0000779800000000, 0.0002772800000000 ] - [ -0.0000224600000000, 0.0000271400000000, 0.0003384800000000 ] - [ -0.0001880300000000, 0.0001398300000000, 0.0001474500000000 ] - [ -0.0000694200000000, -0.0003449000000000, 0.0000327600000000 ] - [ -0.0002744100000000, 0.0002355300000000, 0.0000147200000000 ] - [ 0.0003480800000000, 0.0001210200000000, 0.0000423400000000 ] - [ -0.0000650700000000, 0.0004851200000000, 0.0003969900000000 ] - [ 0.0004605800000000, -0.0002432700000000, 0.0003748800000000 ] - [ -0.0004329900000000, -0.0002684600000000, 0.0003812000000000 ] - [ -0.0006163000000000, -0.0000012400000000, -0.0000292200000000 ] - [ 0.0002969300000000, 0.0005290600000000, -0.0000244100000000 ] - [ 0.0003084500000000, -0.0005366100000000, -0.0000297600000000 ] - [ 0.0006344200000000, 0.0002752800000000, 0.0005363300000000 ] - [ -0.0001688100000000, -0.0006159800000000, 0.0004150700000000 ] - [ -0.0004725600000000, 0.0005444400000000, 0.0003762000000000 ] - [ 0.0002320000000000, 0.0001976900000000, 0.0000324800000000 ] - [ 0.0000518500000000, -0.0002841800000000, 0.0000374500000000 ] - [ -0.0002813900000000, 0.0000948700000000, 0.0000301800000000 ] - [ -0.0001459500000000, -0.0001658500000000, 0.0003981500000000 ] - [ -0.0000601700000000, 0.0002667600000000, 0.0004388400000000 ] - [ 0.0002188000000000, -0.0000676800000000, 0.0003830500000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000216584, 0.0000000000000000 ] forces: - [ 0.0013775200000000, 0.0015347700000000, 0.0012790400000000 ] - [ 0.0000165400000000, -0.0000023200000000, 0.0005272100000000 ] - [ -0.0000120700000000, -0.0000061100000000, -0.0000965500000000 ] - [ 0.0001067100000000, 0.0002110200000000, 0.0000094400000000 ] - [ -0.0000414600000000, -0.0000168000000000, -0.0005123500000000 ] - [ -0.0002004700000000, -0.0002938000000000, 0.0002049400000000 ] - [ 0.0000101700000000, 0.0001611200000000, -0.0001086100000000 ] - [ 0.0000337700000000, -0.0000130600000000, 0.0001351800000000 ] - [ -0.0000002700000000, -0.0000007200000000, -0.0005092300000000 ] - [ -0.0000015200000000, 0.0000033500000000, 0.0005311300000000 ] - [ 0.0000036200000000, -0.0000002800000000, -0.0000997600000000 ] - [ -0.0000025700000000, -0.0000010900000000, 0.0001227100000000 ] - [ 0.0008272800000000, 0.0004650400000000, -0.0004267200000000 ] - [ -0.0000251500000000, -0.0000145400000000, 0.0000513400000000 ] - [ 0.0000790300000000, -0.0002851600000000, 0.0005692400000000 ] - [ -0.0002736400000000, 0.0000869300000000, 0.0005609300000000 ] - [ 0.0002020700000000, 0.0002073200000000, 0.0005593700000000 ] - [ 0.0017913300000000, -0.0021924600000000, 0.0001707300000000 ] - [ 0.0002232500000000, -0.0004210400000000, -0.0007331500000000 ] - [ -0.0001635000000000, 0.0001539100000000, -0.0004566700000000 ] - [ 0.0002978300000000, -0.0003861100000000, 0.0000182900000000 ] - [ -0.0004774400000000, -0.0001344300000000, 0.0001321400000000 ] - [ 0.0001671900000000, 0.0004709300000000, 0.0001417000000000 ] - [ -0.0002861900000000, 0.0003115500000000, -0.0001401000000000 ] - [ 0.0004210500000000, 0.0001178400000000, -0.0000860900000000 ] - [ -0.0001999900000000, -0.0004415400000000, -0.0002438600000000 ] - [ -0.0240466500000000, 0.0234447000000000, -0.0105054800000000 ] - [ -0.0001261600000000, -0.0003995300000000, -0.0001105100000000 ] - [ 0.0008720800000000, 0.0009766300000000, -0.0006105600000000 ] - [ -0.0000481700000000, -0.0001913300000000, 0.0002752900000000 ] - [ -0.0001426600000000, 0.0001390500000000, 0.0002779700000000 ] - [ 0.0001819600000000, 0.0000447800000000, 0.0002761800000000 ] - [ 0.0000078800000000, -0.0002431700000000, 0.0003091000000000 ] - [ 0.0000149700000000, 0.0002024900000000, 0.0002707300000000 ] - [ 0.0002204300000000, 0.0000507600000000, 0.0001947200000000 ] - [ 0.0001328100000000, 0.0002170500000000, -0.0001697500000000 ] - [ 0.0002307600000000, -0.0002724000000000, -0.0003816600000000 ] - [ -0.0001927400000000, 0.0000922500000000, -0.0004553200000000 ] - [ -0.0008672900000000, 0.0002452700000000, 0.0000720000000000 ] - [ 0.0006524100000000, 0.0006173700000000, 0.0001269700000000 ] - [ 0.0002198500000000, -0.0008595400000000, 0.0000828000000000 ] - [ 0.0014899700000000, 0.0014056300000000, -0.0014388100000000 ] - [ -0.0000558400000000, -0.0005625300000000, -0.0000504200000000 ] - [ 0.0000197500000000, 0.0007602700000000, -0.0002931100000000 ] - [ 0.0000139600000000, -0.0004078900000000, -0.0000488500000000 ] - [ 0.0007632700000000, -0.0001878200000000, -0.0013378800000000 ] - [ 0.0005098700000000, 0.0002104000000000, -0.0000235000000000 ] - [ 0.0000397000000000, 0.0003506000000000, -0.0000190500000000 ] - [ 0.0003339800000000, -0.0001931100000000, -0.0000268100000000 ] - [ -0.0003739600000000, -0.0001868000000000, -0.0000120200000000 ] - [ 0.0000189700000000, -0.0000210500000000, -0.0000814300000000 ] - [ 0.0011463200000000, 0.0017590800000000, -0.0016808600000000 ] - [ 0.0008686700000000, -0.0006167700000000, 0.0005897000000000 ] - [ -0.0002942800000000, 0.0007243900000000, 0.0011740400000000 ] - [ 0.0003225000000000, -0.0001728200000000, 0.0004446100000000 ] - [ -0.0000746400000000, 0.0002932000000000, -0.0006166300000000 ] - [ 0.0002969100000000, -0.0000688900000000, -0.0006083500000000 ] - [ -0.0002086900000000, -0.0002155300000000, -0.0005843800000000 ] - [ 0.0003553100000000, -0.0003894500000000, 0.0000451800000000 ] - [ -0.0003020700000000, -0.0000458800000000, 0.0000767800000000 ] - [ 0.0001702900000000, 0.0005208100000000, 0.0003616600000000 ] - [ -0.0001845000000000, 0.0002733200000000, -0.0000634300000000 ] - [ 0.0004168500000000, 0.0001789400000000, -0.0000692800000000 ] - [ 0.0001481400000000, -0.0006683200000000, -0.0005434000000000 ] - [ 0.0000738000000000, 0.0001863600000000, -0.0003034100000000 ] - [ 0.0001395600000000, -0.0001602700000000, -0.0003022600000000 ] - [ -0.0001961700000000, -0.0000180300000000, -0.0003010700000000 ] - [ 0.0071213000000000, -0.0010710500000000, 0.0017834300000000 ] - [ -0.0001798300000000, 0.0002931400000000, 0.0003616600000000 ] - [ 0.0006247900000000, 0.0001673700000000, 0.0002247500000000 ] - [ 0.0000874100000000, -0.0001757000000000, 0.0002478300000000 ] - [ -0.0003915700000000, 0.0001492200000000, 0.0001760000000000 ] - [ 0.0001102400000000, -0.0001252600000000, 0.0003991700000000 ] - [ 0.0001852800000000, 0.0002914300000000, -0.0003193300000000 ] - [ 0.0000123500000000, -0.0001196800000000, -0.0004767900000000 ] - [ -0.0002474400000000, -0.0000954400000000, -0.0001222200000000 ] - [ -0.0007443100000000, -0.0007997700000000, 0.0013669300000000 ] - [ 0.0008659900000000, 0.0008042200000000, 0.0001602300000000 ] - [ 0.0015617500000000, -0.0019745200000000, -0.0025871200000000 ] - [ 0.0008691800000000, -0.0002534100000000, -0.0000944100000000 ] - [ -0.0006017100000000, -0.0006137200000000, -0.0001320400000000 ] - [ -0.0002427800000000, 0.0008411800000000, -0.0001477300000000 ] - [ -0.0000258200000000, -0.0003388300000000, -0.0000173000000000 ] - [ -0.0003669400000000, 0.0001429400000000, -0.0000558800000000 ] - [ 0.0003894700000000, 0.0001365600000000, 0.0000681100000000 ] - [ 0.0002175500000000, 0.0004891100000000, -0.0002972000000000 ] - [ 0.0001194600000000, -0.0001756500000000, 0.0014180400000000 ] - [ -0.0005040100000000, -0.0000701100000000, 0.0000236800000000 ] - [ -0.0000008500000000, 0.0000024400000000, -0.0000884800000000 ] - [ 0.0000054500000000, -0.0000008600000000, 0.0000477000000000 ] - [ 0.0000639400000000, -0.0002626300000000, 0.0005663800000000 ] - [ -0.0002760500000000, 0.0000647300000000, 0.0005721200000000 ] - [ 0.0001989500000000, 0.0001891700000000, 0.0005551000000000 ] - [ -0.0000809300000000, 0.0002901200000000, -0.0005976500000000 ] - [ 0.0002930600000000, -0.0000728300000000, -0.0006007000000000 ] - [ -0.0002048200000000, -0.0002112900000000, -0.0005879500000000 ] - [ 0.0002937100000000, -0.0003036200000000, 0.0001164500000000 ] - [ -0.0004102400000000, -0.0001000300000000, 0.0001188600000000 ] - [ 0.0001173100000000, 0.0004045300000000, 0.0001154200000000 ] - [ -0.0003119500000000, 0.0003173400000000, -0.0001352000000000 ] - [ 0.0004305300000000, 0.0001088300000000, -0.0001355600000000 ] - [ -0.0001199700000000, -0.0004283400000000, -0.0001339800000000 ] - [ 0.0000530600000000, 0.0001955800000000, -0.0003036000000000 ] - [ 0.0001359800000000, -0.0001459200000000, -0.0003031200000000 ] - [ -0.0001948300000000, -0.0000527600000000, -0.0003065200000000 ] - [ -0.0000772300000000, -0.0001997600000000, 0.0002588600000000 ] - [ -0.0001270600000000, 0.0001498300000000, 0.0002852900000000 ] - [ 0.0002047500000000, 0.0000373700000000, 0.0002700100000000 ] - [ -0.0000563700000000, -0.0002157000000000, 0.0002502200000000 ] - [ -0.0001593100000000, 0.0001539500000000, 0.0002518500000000 ] - [ 0.0002121100000000, 0.0000627800000000, 0.0002507500000000 ] - [ 0.0000829200000000, 0.0002118300000000, -0.0002840100000000 ] - [ 0.0001422800000000, -0.0001749700000000, -0.0002874400000000 ] - [ -0.0002211800000000, -0.0000370900000000, -0.0002867900000000 ] - [ -0.0008323000000000, 0.0002413600000000, 0.0000919000000000 ] - [ 0.0006288900000000, 0.0006033000000000, 0.0001010300000000 ] - [ 0.0002094900000000, -0.0008396400000000, 0.0000949300000000 ] - [ 0.0008650300000000, -0.0002447100000000, -0.0001223900000000 ] - [ -0.0006443200000000, -0.0006240700000000, -0.0001236400000000 ] - [ -0.0002206900000000, 0.0008665600000000, -0.0001237100000000 ] - [ -0.0000171000000000, -0.0003771100000000, -0.0000066700000000 ] - [ -0.0003208500000000, 0.0002038300000000, -0.0000042300000000 ] - [ 0.0003370500000000, 0.0001756800000000, -0.0000019600000000 ] - [ 0.0000368800000000, 0.0003651200000000, -0.0000136700000000 ] - [ 0.0002973400000000, -0.0002153600000000, -0.0000221300000000 ] - [ -0.0003345000000000, -0.0001505300000000, -0.0000225100000000 ] - [ -0.0002253200000000, 0.0000340200000000, -0.0000580800000000 ] - [ 0.0001308700000000, 0.0001923000000000, -0.0000776800000000 ] - [ 0.0000799900000000, -0.0002122800000000, -0.0000598300000000 ] - [ 0.0001022500000000, -0.0004386000000000, 0.0000123900000000 ] - [ -0.0011603600000000, 0.0001853200000000, 0.0007406000000000 ] - [ -0.0004697100000000, 0.0021125300000000, 0.0008775200000000 ] - [ -0.0000519100000000, -0.0005491200000000, -0.0003091700000000 ] - [ -0.0002187800000000, 0.0000954500000000, -0.0001633100000000 ] - [ 0.0003853300000000, 0.0003078100000000, -0.0001720700000000 ] - [ 0.0001514300000000, 0.0004920500000000, 0.0002072000000000 ] - [ 0.0002314800000000, -0.0003434800000000, 0.0001041400000000 ] - [ -0.0002977800000000, -0.0001589300000000, 0.0001151500000000 ] - [ -0.0006177600000000, -0.0001473500000000, -0.0002545600000000 ] - [ 0.0001851600000000, 0.0006388500000000, -0.0002471200000000 ] - [ 0.0004754400000000, -0.0004775900000000, -0.0002406700000000 ] - [ 0.0003042300000000, -0.0002767400000000, 0.0001711100000000 ] - [ -0.0011332400000000, -0.0004738100000000, 0.0001507500000000 ] - [ -0.0021838500000000, -0.0008089000000000, 0.0028744900000000 ] - [ 0.0002420400000000, 0.0001947800000000, -0.0000900900000000 ] - [ -0.0000608800000000, -0.0002035200000000, -0.0002454200000000 ] - [ -0.0002601500000000, 0.0000514400000000, -0.0001122500000000 ] - [ -0.0006642200000000, -0.0002955800000000, 0.0005281900000000 ] - [ -0.0003989000000000, 0.0002256500000000, -0.0000523200000000 ] - [ 0.0000284800000000, -0.0000336200000000, 0.0000930700000000 ] - [ 0.0001179000000000, 0.0006427400000000, 0.0000505900000000 ] - [ -0.0006597200000000, -0.0007702100000000, 0.0002835700000000 ] - [ 0.0075177000000000, -0.0159560600000000, -0.0066943700000000 ] - [ 0.0000175600000000, 0.0000564800000000, 0.0001518100000000 ] - [ 0.0000177800000000, -0.0000448500000000, 0.0001714100000000 ] - [ -0.0000376800000000, 0.0000008500000000, 0.0001706100000000 ] - [ 0.0001203600000000, -0.0005614400000000, -0.0002121800000000 ] - [ -0.0000326800000000, 0.0005002100000000, 0.0000722300000000 ] - [ 0.0000108800000000, 0.0002138400000000, -0.0002656000000000 ] - [ -0.0000824100000000, 0.0001898900000000, 0.0004568900000000 ] - [ 0.0001233900000000, 0.0001762800000000, -0.0001170300000000 ] - [ -0.0003304500000000, -0.0002904300000000, 0.0000652000000000 ] - [ -0.0005342500000000, -0.0012710900000000, -0.0007822700000000 ] - [ -0.0021453600000000, -0.0000637600000000, 0.0008124800000000 ] - [ 0.0043470600000000, -0.0067439000000000, 0.0128881600000000 ] - [ 0.0005711200000000, 0.0003196500000000, 0.0002424300000000 ] - [ -0.0000710000000000, -0.0006640300000000, 0.0002724400000000 ] - [ -0.0005650500000000, 0.0004509400000000, 0.0002837900000000 ] - [ 0.0008153000000000, 0.0006203000000000, -0.0006610300000000 ] - [ -0.0001990700000000, -0.0005876200000000, -0.0000596200000000 ] - [ 0.0012722900000000, -0.0001669200000000, 0.0008526200000000 ] - [ -0.0002110800000000, -0.0002865200000000, 0.0000918800000000 ] - [ -0.0002879400000000, 0.0002543400000000, 0.0002062800000000 ] - [ 0.0003910100000000, 0.0001081600000000, 0.0002566500000000 ] - [ -0.0000366200000000, 0.0000798100000000, -0.0001250300000000 ] - [ 0.0000951300000000, -0.0000372200000000, -0.0001462400000000 ] - [ -0.0000375800000000, -0.0000716800000000, -0.0001168500000000 ] - [ 0.0002237700000000, -0.0000349000000000, 0.0001026500000000 ] - [ -0.0001350800000000, -0.0001775900000000, 0.0001129300000000 ] - [ -0.0001002600000000, 0.0002028700000000, 0.0001031500000000 ] - [ -0.0000683700000000, -0.0003717300000000, -0.0001212000000000 ] - [ -0.0002847900000000, 0.0002350500000000, -0.0001201800000000 ] - [ 0.0003545000000000, 0.0001223400000000, -0.0001240300000000 ] - [ -0.0000366200000000, 0.0004865900000000, 0.0002263300000000 ] - [ 0.0004343400000000, -0.0002224700000000, 0.0002285500000000 ] - [ -0.0004166100000000, -0.0002618500000000, 0.0002298100000000 ] - [ -0.0006270800000000, 0.0000029500000000, -0.0001889800000000 ] - [ 0.0003046000000000, 0.0005276100000000, -0.0002015700000000 ] - [ 0.0003032900000000, -0.0005435300000000, -0.0001859700000000 ] - [ 0.0006402900000000, 0.0001654500000000, 0.0002889800000000 ] - [ -0.0001726300000000, -0.0006345000000000, 0.0002986400000000 ] - [ -0.0004614800000000, 0.0004691300000000, 0.0002929900000000 ] - [ 0.0002078600000000, 0.0002113300000000, -0.0001622400000000 ] - [ 0.0000760400000000, -0.0002788800000000, -0.0001696900000000 ] - [ -0.0002801900000000, 0.0000785500000000, -0.0001676500000000 ] - [ -0.0001960200000000, -0.0001629800000000, 0.0002125600000000 ] - [ -0.0000408900000000, 0.0002497300000000, 0.0002146500000000 ] - [ 0.0002361100000000, -0.0000872900000000, 0.0002148600000000 ]- atom: 27 displacement: [ -0.0100000000000000, -0.0000000000216584, 0.0000000000000000 ] forces: - [ -0.0013657900000000, -0.0015556800000000, -0.0023530700000000 ] - [ -0.0000159200000000, 0.0000042000000000, 0.0005150500000000 ] - [ 0.0000142600000000, 0.0000078400000000, -0.0001283500000000 ] - [ -0.0001089300000000, -0.0002108100000000, 0.0002104500000000 ] - [ 0.0000424900000000, 0.0000159900000000, -0.0005314700000000 ] - [ 0.0002001000000000, 0.0002924800000000, 0.0008375300000000 ] - [ -0.0000118000000000, -0.0001573200000000, -0.0001125100000000 ] - [ -0.0000343600000000, 0.0000114800000000, 0.0000866200000000 ] - [ -0.0000001900000000, -0.0000009600000000, -0.0005325200000000 ] - [ -0.0000007600000000, -0.0000018200000000, 0.0005116100000000 ] - [ -0.0000014100000000, 0.0000003000000000, -0.0001209300000000 ] - [ 0.0000005500000000, -0.0000007000000000, 0.0001024900000000 ] - [ -0.0008209600000000, -0.0004612500000000, 0.0003064200000000 ] - [ 0.0000219400000000, 0.0000160400000000, 0.0000989600000000 ] - [ 0.0000781000000000, -0.0002854400000000, 0.0005903300000000 ] - [ -0.0002969500000000, 0.0000641800000000, 0.0005995100000000 ] - [ 0.0002133500000000, 0.0002115400000000, 0.0005973900000000 ] - [ -0.0019523200000000, 0.0027471000000000, -0.0013482100000000 ] - [ 0.0003196500000000, 0.0002799700000000, -0.0004273000000000 ] - [ -0.0002296000000000, -0.0005610300000000, -0.0007019300000000 ] - [ 0.0003098100000000, -0.0002418900000000, 0.0002199700000000 ] - [ -0.0003744900000000, -0.0000823200000000, 0.0001124000000000 ] - [ 0.0000702600000000, 0.0003771600000000, 0.0000988000000000 ] - [ -0.0003092400000000, 0.0003042800000000, -0.0001183200000000 ] - [ 0.0004060300000000, 0.0000846500000000, -0.0001739300000000 ] - [ -0.0000365500000000, -0.0003811700000000, -0.0000131400000000 ] - [ 0.0240563000000000, -0.0232348500000000, 0.0100264500000000 ] - [ 0.0003912000000000, 0.0000829600000000, -0.0004523600000000 ] - [ -0.0012873500000000, -0.0010514600000000, 0.0000475600000000 ] - [ -0.0000535500000000, -0.0001947800000000, 0.0003062700000000 ] - [ -0.0001388500000000, 0.0001394700000000, 0.0003026500000000 ] - [ 0.0001942300000000, 0.0000493300000000, 0.0003084600000000 ] - [ -0.0001670500000000, -0.0001793300000000, 0.0002290400000000 ] - [ -0.0003000100000000, 0.0001430100000000, 0.0002699400000000 ] - [ 0.0002201100000000, 0.0000269100000000, 0.0003467500000000 ] - [ -0.0000225500000000, 0.0002191400000000, -0.0003640200000000 ] - [ 0.0000878100000000, -0.0000391300000000, -0.0001542800000000 ] - [ -0.0002321600000000, -0.0002158300000000, -0.0000801900000000 ] - [ -0.0008576700000000, 0.0002458200000000, 0.0001394700000000 ] - [ 0.0006302700000000, 0.0006261500000000, 0.0000833600000000 ] - [ 0.0002198700000000, -0.0008722100000000, 0.0001296000000000 ] - [ 0.0001777700000000, -0.0018744000000000, 0.0012108700000000 ] - [ -0.0011985500000000, -0.0006414500000000, -0.0001750600000000 ] - [ -0.0004400600000000, 0.0009264700000000, 0.0000626300000000 ] - [ -0.0000775400000000, -0.0003199000000000, 0.0000598300000000 ] - [ -0.0013588000000000, 0.0005981700000000, 0.0013291300000000 ] - [ 0.0001550500000000, 0.0001021600000000, 0.0000381500000000 ] - [ 0.0000085500000000, 0.0003998800000000, -0.0000033300000000 ] - [ 0.0002985700000000, -0.0002249100000000, 0.0000044100000000 ] - [ -0.0003064400000000, -0.0001499400000000, -0.0000160300000000 ] - [ -0.0000181100000000, 0.0000210300000000, -0.0000671000000000 ] - [ -0.0011302300000000, -0.0017514000000000, 0.0018188900000000 ] - [ -0.0007127200000000, 0.0000447400000000, 0.0005810600000000 ] - [ -0.0002762200000000, -0.0005932900000000, -0.0000134100000000 ] - [ 0.0000899600000000, 0.0005900300000000, 0.0007197500000000 ] - [ -0.0000811600000000, 0.0002730500000000, -0.0005509100000000 ] - [ 0.0002690200000000, -0.0000809000000000, -0.0005585700000000 ] - [ -0.0002034100000000, -0.0002030100000000, -0.0005807200000000 ] - [ 0.0002324800000000, -0.0002254700000000, 0.0002065300000000 ] - [ -0.0005227200000000, -0.0001540300000000, 0.0001757200000000 ] - [ 0.0000673200000000, 0.0002956400000000, -0.0001131000000000 ] - [ -0.0004052000000000, 0.0003425900000000, -0.0001883500000000 ] - [ 0.0004074900000000, 0.0000202200000000, -0.0001839400000000 ] - [ -0.0003861100000000, -0.0001494800000000, 0.0002922300000000 ] - [ 0.0000695800000000, 0.0001906500000000, -0.0002684200000000 ] - [ 0.0001157500000000, -0.0001500000000000, -0.0002702000000000 ] - [ -0.0001925400000000, -0.0000349100000000, -0.0002752700000000 ] - [ -0.0071607200000000, 0.0006797200000000, -0.0011712000000000 ] - [ -0.0000762300000000, 0.0000172400000000, 0.0002122500000000 ] - [ -0.0002355200000000, -0.0001130700000000, 0.0003515000000000 ] - [ -0.0001837300000000, -0.0002063300000000, 0.0002874900000000 ] - [ 0.0001108500000000, 0.0001227000000000, 0.0003611200000000 ] - [ 0.0002620800000000, 0.0002364000000000, 0.0001383700000000 ] - [ -0.0000865200000000, 0.0000907500000000, -0.0002168500000000 ] - [ 0.0002699800000000, -0.0001529400000000, -0.0000602900000000 ] - [ -0.0001255000000000, -0.0000146300000000, -0.0004141300000000 ] - [ -0.0009689200000000, 0.0012549000000000, -0.0011445400000000 ] - [ 0.0004052400000000, 0.0004481900000000, 0.0000518800000000 ] - [ -0.0011161400000000, 0.0002603400000000, 0.0028278700000000 ] - [ 0.0008560500000000, -0.0002204000000000, -0.0001162500000000 ] - [ -0.0006672200000000, -0.0006380000000000, -0.0000790900000000 ] - [ -0.0002105600000000, 0.0008821200000000, -0.0000637700000000 ] - [ -0.0000398800000000, -0.0004447800000000, 0.0000251800000000 ] - [ -0.0002796800000000, 0.0003050700000000, 0.0000644700000000 ] - [ 0.0003283100000000, 0.0002021900000000, -0.0000576300000000 ] - [ -0.0001505300000000, 0.0002934000000000, 0.0002896400000000 ] - [ 0.0005252700000000, -0.0002655000000000, -0.0014274300000000 ] - [ -0.0002143300000000, -0.0002684000000000, -0.0000341800000000 ] - [ 0.0000041000000000, -0.0000036100000000, -0.0000623000000000 ] - [ -0.0000063100000000, 0.0000005400000000, 0.0000699500000000 ] - [ 0.0000863900000000, -0.0002786600000000, 0.0005950200000000 ] - [ -0.0002667200000000, 0.0000767400000000, 0.0005887100000000 ] - [ 0.0001938500000000, 0.0002126800000000, 0.0006030200000000 ] - [ -0.0000762600000000, 0.0002804400000000, -0.0005627500000000 ] - [ 0.0002773800000000, -0.0000787200000000, -0.0005602700000000 ] - [ -0.0002104100000000, -0.0002077500000000, -0.0005698200000000 ] - [ 0.0003004500000000, -0.0003117500000000, 0.0001418000000000 ] - [ -0.0004187800000000, -0.0001035000000000, 0.0001404000000000 ] - [ 0.0001203300000000, 0.0004167100000000, 0.0001405400000000 ] - [ -0.0003028500000000, 0.0003112900000000, -0.0001073700000000 ] - [ 0.0004207000000000, 0.0001075000000000, -0.0001082000000000 ] - [ -0.0001169900000000, -0.0004202500000000, -0.0001069000000000 ] - [ 0.0000488200000000, 0.0001906000000000, -0.0002783200000000 ] - [ 0.0001460600000000, -0.0001325000000000, -0.0002788400000000 ] - [ -0.0001814200000000, -0.0000414200000000, -0.0002784100000000 ] - [ -0.0000658700000000, -0.0001963600000000, 0.0003065800000000 ] - [ -0.0001442600000000, 0.0001696300000000, 0.0002798600000000 ] - [ 0.0002007600000000, 0.0000254300000000, 0.0002985100000000 ] - [ -0.0000564900000000, -0.0002187400000000, 0.0002823600000000 ] - [ -0.0001595900000000, 0.0001576500000000, 0.0002838900000000 ] - [ 0.0002135700000000, 0.0000613400000000, 0.0002850600000000 ] - [ 0.0000760500000000, 0.0002102600000000, -0.0002543900000000 ] - [ 0.0001428900000000, -0.0001705200000000, -0.0002535500000000 ] - [ -0.0002178100000000, -0.0000393000000000, -0.0002542200000000 ] - [ -0.0008436500000000, 0.0002422700000000, 0.0001342500000000 ] - [ 0.0006261900000000, 0.0006011600000000, 0.0001254500000000 ] - [ 0.0002105500000000, -0.0008475000000000, 0.0001320900000000 ] - [ 0.0008602900000000, -0.0002465100000000, -0.0000897300000000 ] - [ -0.0006384900000000, -0.0006195800000000, -0.0000874200000000 ] - [ -0.0002189500000000, 0.0008652100000000, -0.0000892800000000 ] - [ -0.0000309600000000, -0.0003731900000000, 0.0000282800000000 ] - [ -0.0003111800000000, 0.0002137100000000, 0.0000271400000000 ] - [ 0.0003429200000000, 0.0001640000000000, 0.0000258700000000 ] - [ 0.0000269800000000, 0.0003620900000000, 0.0000021800000000 ] - [ 0.0003039200000000, -0.0002036600000000, 0.0000104200000000 ] - [ -0.0003330800000000, -0.0001635700000000, 0.0000095000000000 ] - [ -0.0002379400000000, 0.0000244200000000, -0.0001136200000000 ] - [ 0.0001413000000000, 0.0001626400000000, -0.0000904700000000 ] - [ 0.0001011100000000, -0.0001969000000000, -0.0001105300000000 ] - [ -0.0000472300000000, 0.0002901000000000, 0.0002824900000000 ] - [ 0.0009930400000000, -0.0001453200000000, -0.0004415700000000 ] - [ 0.0005846600000000, -0.0019613000000000, -0.0005696800000000 ] - [ 0.0001231000000000, -0.0004236400000000, -0.0001082200000000 ] - [ -0.0006510200000000, 0.0003496800000000, -0.0002539300000000 ] - [ 0.0004403300000000, 0.0002127600000000, -0.0002470200000000 ] - [ -0.0000124400000000, 0.0002615900000000, 0.0000750600000000 ] - [ 0.0003428600000000, -0.0001305200000000, 0.0001774700000000 ] - [ -0.0004049700000000, -0.0000920700000000, 0.0001753900000000 ] - [ -0.0006493600000000, -0.0001886200000000, -0.0002895700000000 ] - [ 0.0001617400000000, 0.0006316000000000, -0.0002978600000000 ] - [ 0.0004510600000000, -0.0004609200000000, -0.0003026300000000 ] - [ 0.0009381500000000, 0.0002646400000000, 0.0002545800000000 ] - [ 0.0005049800000000, -0.0005942600000000, 0.0002788600000000 ] - [ 0.0016257100000000, 0.0019127100000000, -0.0024548400000000 ] - [ 0.0001546000000000, 0.0001246000000000, -0.0002838600000000 ] - [ 0.0001374800000000, -0.0002990400000000, -0.0001284800000000 ] - [ -0.0002114200000000, 0.0001279600000000, -0.0002625000000000 ] - [ 0.0002468900000000, -0.0001321600000000, -0.0001497300000000 ] - [ 0.0002447700000000, 0.0003273900000000, 0.0004367400000000 ] - [ 0.0005384000000000, -0.0001136900000000, 0.0002954500000000 ] - [ -0.0001609900000000, -0.0007177000000000, -0.0003402300000000 ] - [ 0.0006025600000000, 0.0008531800000000, -0.0005726500000000 ] - [ -0.0073250700000000, 0.0161421400000000, 0.0064378400000000 ] - [ 0.0000276800000000, 0.0000225200000000, 0.0001391400000000 ] - [ 0.0000350300000000, -0.0000318800000000, 0.0001142100000000 ] - [ -0.0000562400000000, 0.0000034500000000, 0.0001183500000000 ] - [ -0.0001217000000000, -0.0000787400000000, -0.0000922800000000 ] - [ -0.0005182500000000, -0.0001922300000000, -0.0003770700000000 ] - [ 0.0005312700000000, 0.0001344000000000, -0.0000410900000000 ] - [ 0.0000830300000000, 0.0004515400000000, -0.0001517200000000 ] - [ 0.0004320600000000, -0.0004875700000000, 0.0004241700000000 ] - [ -0.0002118400000000, -0.0000573300000000, 0.0002416800000000 ] - [ -0.0007202800000000, 0.0006748700000000, 0.0002812400000000 ] - [ 0.0022713300000000, 0.0014380700000000, -0.0013266400000000 ] - [ -0.0033448300000000, 0.0059573200000000, -0.0134679800000000 ] - [ 0.0006831700000000, 0.0002679900000000, 0.0002548800000000 ] - [ -0.0000507600000000, -0.0007021900000000, 0.0002272700000000 ] - [ -0.0005681600000000, 0.0003411900000000, 0.0002121400000000 ] - [ -0.0004316000000000, -0.0000441000000000, 0.0003601400000000 ] - [ 0.0005017000000000, -0.0000286200000000, -0.0002383100000000 ] - [ -0.0019680200000000, 0.0002096700000000, -0.0011511800000000 ] - [ -0.0001675100000000, -0.0002892400000000, 0.0002059900000000 ] - [ -0.0000198000000000, 0.0003611900000000, 0.0000927400000000 ] - [ 0.0002973300000000, -0.0001478500000000, 0.0000427700000000 ] - [ -0.0000109700000000, 0.0000725400000000, -0.0001782000000000 ] - [ 0.0000696900000000, -0.0000044800000000, -0.0001523400000000 ] - [ -0.0000729300000000, -0.0000702900000000, -0.0001836500000000 ] - [ 0.0002394500000000, -0.0000236000000000, 0.0000702600000000 ] - [ -0.0001364100000000, -0.0001771400000000, 0.0000561400000000 ] - [ -0.0000808000000000, 0.0002063200000000, 0.0000680400000000 ] - [ -0.0000701700000000, -0.0003818800000000, -0.0001621100000000 ] - [ -0.0002900200000000, 0.0002392600000000, -0.0001622000000000 ] - [ 0.0003546600000000, 0.0001267100000000, -0.0001624300000000 ] - [ -0.0000333400000000, 0.0004876300000000, 0.0001907400000000 ] - [ 0.0004290600000000, -0.0002224000000000, 0.0001890700000000 ] - [ -0.0004076900000000, -0.0002586200000000, 0.0001888600000000 ] - [ -0.0006150200000000, 0.0000070500000000, -0.0002373300000000 ] - [ 0.0003215300000000, 0.0005394200000000, -0.0002259800000000 ] - [ 0.0003104800000000, -0.0005420100000000, -0.0002398600000000 ] - [ 0.0006280900000000, 0.0001692700000000, 0.0002570500000000 ] - [ -0.0001742300000000, -0.0006362500000000, 0.0002471100000000 ] - [ -0.0004652500000000, 0.0004691600000000, 0.0002509300000000 ] - [ 0.0002086700000000, 0.0002159700000000, -0.0002212800000000 ] - [ 0.0000789900000000, -0.0002743000000000, -0.0002159500000000 ] - [ -0.0002823500000000, 0.0000680400000000, -0.0002185700000000 ] - [ -0.0002020800000000, -0.0001574900000000, 0.0001616900000000 ] - [ -0.0000346500000000, 0.0002528400000000, 0.0001614000000000 ] - [ 0.0002353600000000, -0.0000921700000000, 0.0001607500000000 ]- atom: 27 displacement: [ -0.0050000000088145, 0.0086602540327554, 0.0000000000000000 ] forces: - [ 0.0004352300000000, 0.0007688900000000, -0.0001372500000000 ] - [ -0.0000184800000000, -0.0000005100000000, 0.0005202200000000 ] - [ -0.0000180300000000, 0.0000249600000000, -0.0001153200000000 ] - [ -0.0000809800000000, -0.0004338700000000, 0.0002891200000000 ] - [ 0.0000120900000000, 0.0000144800000000, -0.0005349900000000 ] - [ 0.0001031500000000, 0.0002273700000000, 0.0007229900000000 ] - [ 0.0004132200000000, -0.0004828100000000, -0.0003019900000000 ] - [ -0.0000357700000000, 0.0000256000000000, 0.0001286200000000 ] - [ 0.0000005300000000, -0.0000027200000000, -0.0005195700000000 ] - [ -0.0000002800000000, -0.0000020900000000, 0.0005309700000000 ] - [ -0.0000005000000000, 0.0000016000000000, -0.0001100900000000 ] - [ -0.0000003800000000, 0.0000008300000000, 0.0001225900000000 ] - [ -0.0003361900000000, -0.0003662000000000, 0.0001709200000000 ] - [ -0.0000101100000000, 0.0000510000000000, 0.0000669500000000 ] - [ 0.0000794400000000, -0.0002771700000000, 0.0005661200000000 ] - [ -0.0003006100000000, 0.0000719300000000, 0.0005765700000000 ] - [ 0.0002177300000000, 0.0001874500000000, 0.0005508000000000 ] - [ -0.0035762400000000, 0.0040207500000000, -0.0012159600000000 ] - [ 0.0000643100000000, 0.0002820100000000, -0.0002488400000000 ] - [ -0.0000979400000000, 0.0000789700000000, -0.0006476900000000 ] - [ 0.0001980500000000, -0.0003737100000000, 0.0001240200000000 ] - [ -0.0003421000000000, 0.0000536400000000, 0.0000964800000000 ] - [ 0.0001582100000000, 0.0004592700000000, 0.0001616900000000 ] - [ -0.0002663900000000, 0.0003589900000000, -0.0001421800000000 ] - [ 0.0003624100000000, 0.0000509400000000, -0.0001872100000000 ] - [ -0.0000141700000000, -0.0004247200000000, 0.0000117300000000 ] - [ 0.0326908900000000, -0.0730269000000000, 0.0071067900000000 ] - [ 0.0003450700000000, 0.0013495900000000, -0.0000004000000000 ] - [ -0.0001531600000000, -0.0003025500000000, -0.0000944600000000 ] - [ -0.0000498300000000, -0.0001855700000000, 0.0002818800000000 ] - [ -0.0001454500000000, 0.0001350800000000, 0.0002776400000000 ] - [ 0.0001935100000000, 0.0000487800000000, 0.0002872300000000 ] - [ -0.0001382800000000, -0.0001537800000000, 0.0002246300000000 ] - [ -0.0004822000000000, 0.0001275000000000, 0.0003970600000000 ] - [ 0.0002693800000000, -0.0000751100000000, 0.0001056400000000 ] - [ -0.0000958100000000, 0.0002095300000000, -0.0003762900000000 ] - [ 0.0000883600000000, 0.0000441800000000, -0.0000488800000000 ] - [ -0.0001705800000000, 0.0000593700000000, -0.0004861000000000 ] - [ -0.0008587200000000, 0.0002477300000000, 0.0000677000000000 ] - [ 0.0006210400000000, 0.0006317200000000, 0.0000433400000000 ] - [ 0.0002208100000000, -0.0008622000000000, 0.0001354900000000 ] - [ 0.0023178600000000, 0.0005337000000000, -0.0020766800000000 ] - [ -0.0015141800000000, -0.0005985900000000, -0.0000557900000000 ] - [ -0.0004016200000000, 0.0007687600000000, 0.0000303800000000 ] - [ -0.0000064200000000, -0.0003679500000000, 0.0000710000000000 ] - [ -0.0011262000000000, 0.0003634600000000, 0.0007154800000000 ] - [ 0.0005940000000000, 0.0004234400000000, -0.0002666500000000 ] - [ -0.0000011700000000, 0.0004243900000000, 0.0000138800000000 ] - [ 0.0002815100000000, -0.0001631400000000, -0.0000015300000000 ] - [ -0.0003531300000000, -0.0001458300000000, -0.0000999400000000 ] - [ -0.0000304600000000, 0.0000473400000000, -0.0000892600000000 ] - [ 0.0012580000000000, 0.0000561000000000, -0.0013211800000000 ] - [ -0.0003243300000000, 0.0000439200000000, 0.0005772600000000 ] - [ -0.0006650000000000, 0.0031021200000000, 0.0015893500000000 ] - [ -0.0001243900000000, 0.0009675900000000, 0.0009258400000000 ] - [ -0.0000882600000000, 0.0002938300000000, -0.0005760700000000 ] - [ 0.0002698800000000, -0.0000788600000000, -0.0005794700000000 ] - [ -0.0002033000000000, -0.0002302500000000, -0.0006050600000000 ] - [ 0.0003152000000000, -0.0001663700000000, 0.0001971000000000 ] - [ -0.0005051700000000, -0.0001605800000000, 0.0001168100000000 ] - [ 0.0001485300000000, 0.0002887200000000, 0.0001062700000000 ] - [ -0.0002955000000000, 0.0002039300000000, -0.0001716000000000 ] - [ 0.0005602300000000, 0.0002283500000000, -0.0000992000000000 ] - [ -0.0003814100000000, -0.0001090300000000, 0.0002974600000000 ] - [ 0.0000719200000000, 0.0002018600000000, -0.0002907800000000 ] - [ 0.0001216400000000, -0.0001601800000000, -0.0002970000000000 ] - [ -0.0001926100000000, -0.0000322900000000, -0.0002921600000000 ] - [ -0.0043969100000000, -0.0008525900000000, -0.0004456800000000 ] - [ 0.0003589200000000, 0.0002609100000000, 0.0001450500000000 ] - [ -0.0002416800000000, -0.0002845200000000, 0.0004404000000000 ] - [ -0.0000468500000000, -0.0001598700000000, 0.0002589800000000 ] - [ -0.0000107900000000, 0.0000405300000000, 0.0004489100000000 ] - [ 0.0002854400000000, 0.0003943600000000, -0.0000682300000000 ] - [ 0.0001579100000000, 0.0002857300000000, -0.0002858400000000 ] - [ 0.0001293300000000, -0.0002736700000000, -0.0000214600000000 ] - [ -0.0001703700000000, -0.0001259900000000, -0.0004772100000000 ] - [ -0.0013870900000000, 0.0025440700000000, -0.0024834000000000 ] - [ 0.0008743600000000, 0.0007445400000000, 0.0001736500000000 ] - [ -0.0012942600000000, -0.0004220700000000, 0.0024892700000000 ] - [ 0.0008615600000000, -0.0002144500000000, -0.0001589500000000 ] - [ -0.0006259000000000, -0.0006186200000000, -0.0001246400000000 ] - [ -0.0002245700000000, 0.0008617200000000, -0.0000482300000000 ] - [ -0.0000125000000000, -0.0003602400000000, 0.0000297800000000 ] - [ -0.0003119800000000, 0.0002941400000000, 0.0000299600000000 ] - [ 0.0002983300000000, 0.0001992300000000, -0.0000772300000000 ] - [ 0.0001242500000000, 0.0001902600000000, 0.0000587400000000 ] - [ 0.0008033100000000, 0.0000143600000000, 0.0000585100000000 ] - [ -0.0001376700000000, 0.0000598700000000, -0.0002489100000000 ] - [ 0.0000058400000000, -0.0000042500000000, -0.0000771500000000 ] - [ -0.0000010600000000, -0.0000027700000000, 0.0000488700000000 ] - [ 0.0000778000000000, -0.0002803200000000, 0.0005748600000000 ] - [ -0.0002601000000000, 0.0000753800000000, 0.0005591500000000 ] - [ 0.0001913800000000, 0.0002041500000000, 0.0005693900000000 ] - [ -0.0000788800000000, 0.0002806600000000, -0.0005750900000000 ] - [ 0.0002939000000000, -0.0000759100000000, -0.0005869100000000 ] - [ -0.0002140900000000, -0.0002170300000000, -0.0005885300000000 ] - [ 0.0002944500000000, -0.0003086500000000, 0.0001208700000000 ] - [ -0.0004133500000000, -0.0000991400000000, 0.0001200600000000 ] - [ 0.0001204900000000, 0.0004108600000000, 0.0001205000000000 ] - [ -0.0003086800000000, 0.0003192900000000, -0.0001263100000000 ] - [ 0.0004296500000000, 0.0001070700000000, -0.0001264400000000 ] - [ -0.0001218900000000, -0.0004271900000000, -0.0001251300000000 ] - [ 0.0000471000000000, 0.0002040600000000, -0.0002910300000000 ] - [ 0.0001448100000000, -0.0001330300000000, -0.0003051800000000 ] - [ -0.0001929900000000, -0.0000369800000000, -0.0002955900000000 ] - [ -0.0000694300000000, -0.0001894600000000, 0.0002836100000000 ] - [ -0.0001368300000000, 0.0001668000000000, 0.0002619200000000 ] - [ 0.0001945700000000, 0.0000377200000000, 0.0002767500000000 ] - [ -0.0000534800000000, -0.0002162300000000, 0.0002573600000000 ] - [ -0.0001575600000000, 0.0001546700000000, 0.0002594000000000 ] - [ 0.0002097000000000, 0.0000614800000000, 0.0002609800000000 ] - [ 0.0000798500000000, 0.0002094900000000, -0.0002782700000000 ] - [ 0.0001422300000000, -0.0001718800000000, -0.0002783400000000 ] - [ -0.0002193500000000, -0.0000380800000000, -0.0002779700000000 ] - [ -0.0008440700000000, 0.0002396600000000, 0.0001052300000000 ] - [ 0.0006267000000000, 0.0005996500000000, 0.0000972800000000 ] - [ 0.0002128800000000, -0.0008424900000000, 0.0001027100000000 ] - [ 0.0008627300000000, -0.0002462500000000, -0.0001096400000000 ] - [ -0.0006407100000000, -0.0006291400000000, -0.0001134600000000 ] - [ -0.0002214100000000, 0.0008714300000000, -0.0001121600000000 ] - [ -0.0000229600000000, -0.0003758700000000, 0.0000071200000000 ] - [ -0.0003182400000000, 0.0002082200000000, 0.0000044000000000 ] - [ 0.0003401400000000, 0.0001715000000000, 0.0000040000000000 ] - [ 0.0000369100000000, 0.0003632900000000, -0.0000150500000000 ] - [ 0.0002980900000000, -0.0002128700000000, -0.0000121600000000 ] - [ -0.0003379300000000, -0.0001539500000000, -0.0000142400000000 ] - [ -0.0002340700000000, 0.0000428400000000, -0.0000637000000000 ] - [ 0.0001486300000000, 0.0001510700000000, -0.0000536700000000 ] - [ 0.0001049400000000, -0.0001997800000000, -0.0000922400000000 ] - [ -0.0013675600000000, -0.0007074200000000, 0.0012641600000000 ] - [ 0.0016925700000000, -0.0002420500000000, -0.0013146100000000 ] - [ 0.0008920700000000, -0.0009623800000000, -0.0002924600000000 ] - [ 0.0001982300000000, -0.0003817800000000, -0.0000668400000000 ] - [ -0.0006761800000000, 0.0006248100000000, -0.0003943100000000 ] - [ 0.0002214500000000, 0.0001341100000000, -0.0000457200000000 ] - [ -0.0000594100000000, 0.0003056200000000, 0.0000302500000000 ] - [ 0.0002314600000000, -0.0004048100000000, 0.0001836500000000 ] - [ -0.0003770500000000, -0.0000125300000000, 0.0001302300000000 ] - [ -0.0006305900000000, -0.0002060300000000, -0.0002409100000000 ] - [ 0.0001921000000000, 0.0006012800000000, -0.0002725400000000 ] - [ 0.0004584400000000, -0.0005012100000000, -0.0002584100000000 ] - [ 0.0008337000000000, -0.0000575900000000, -0.0000221500000000 ] - [ 0.0000911100000000, -0.0001625100000000, 0.0001269000000000 ] - [ 0.0003725500000000, 0.0025497500000000, -0.0013147700000000 ] - [ 0.0001826800000000, 0.0001929000000000, -0.0000841400000000 ] - [ 0.0001627100000000, -0.0003378400000000, -0.0000799000000000 ] - [ -0.0001687000000000, 0.0000892700000000, -0.0003390800000000 ] - [ -0.0004202500000000, -0.0003156900000000, 0.0009768300000000 ] - [ 0.0003053700000000, 0.0004015100000000, 0.0005716000000000 ] - [ 0.0007151700000000, -0.0002370500000000, 0.0002384100000000 ] - [ 0.0003411200000000, -0.0015814100000000, -0.0006976700000000 ] - [ 0.0001880500000000, -0.0002932400000000, -0.0005029100000000 ] - [ -0.0184291200000000, 0.0469581900000000, 0.0184528100000000 ] - [ 0.0000196100000000, 0.0000386800000000, 0.0001644800000000 ] - [ 0.0000443500000000, -0.0000399400000000, 0.0001524200000000 ] - [ -0.0000275000000000, 0.0000036600000000, 0.0001315100000000 ] - [ -0.0001027100000000, -0.0001822700000000, -0.0002886500000000 ] - [ -0.0006022500000000, -0.0003027100000000, -0.0003022000000000 ] - [ 0.0004571200000000, 0.0001140000000000, -0.0000481000000000 ] - [ 0.0001261300000000, 0.0005793700000000, -0.0000120200000000 ] - [ 0.0002290200000000, 0.0000753900000000, 0.0001940900000000 ] - [ -0.0004417400000000, -0.0004463600000000, 0.0003098800000000 ] - [ -0.0012562500000000, -0.0009225700000000, 0.0000828600000000 ] - [ 0.0001258600000000, 0.0026165900000000, -0.0006024900000000 ] - [ -0.0056088000000000, 0.0125486900000000, -0.0227272900000000 ] - [ 0.0006519500000000, 0.0002473100000000, 0.0002811400000000 ] - [ -0.0000428100000000, -0.0007160300000000, 0.0002460400000000 ] - [ -0.0005564500000000, 0.0003382000000000, 0.0002527300000000 ] - [ -0.0006994400000000, -0.0005261000000000, 0.0011123700000000 ] - [ -0.0000369400000000, -0.0003438500000000, -0.0001377400000000 ] - [ -0.0013382400000000, 0.0005536400000000, -0.0012391900000000 ] - [ -0.0001360000000000, -0.0002989900000000, 0.0003422700000000 ] - [ -0.0002205400000000, 0.0002548800000000, 0.0001911600000000 ] - [ 0.0004367200000000, 0.0000079400000000, -0.0000127300000000 ] - [ -0.0000051900000000, 0.0000846800000000, -0.0001392500000000 ] - [ 0.0000705300000000, 0.0000049400000000, -0.0001291500000000 ] - [ -0.0000771400000000, -0.0000761400000000, -0.0001395600000000 ] - [ 0.0002417200000000, -0.0000131000000000, 0.0000925500000000 ] - [ -0.0001378200000000, -0.0001497400000000, 0.0000867200000000 ] - [ -0.0000946000000000, 0.0001957100000000, 0.0000983400000000 ] - [ -0.0000682700000000, -0.0003779700000000, -0.0001315600000000 ] - [ -0.0002866000000000, 0.0002335300000000, -0.0001316000000000 ] - [ 0.0003512400000000, 0.0001272300000000, -0.0001321300000000 ] - [ -0.0000384600000000, 0.0004884100000000, 0.0002195200000000 ] - [ 0.0004351300000000, -0.0002215800000000, 0.0002176900000000 ] - [ -0.0004100400000000, -0.0002629100000000, 0.0002182700000000 ] - [ -0.0006205100000000, 0.0000083500000000, -0.0001964300000000 ] - [ 0.0003156600000000, 0.0005331800000000, -0.0002021000000000 ] - [ 0.0003094000000000, -0.0005410800000000, -0.0002008000000000 ] - [ 0.0006317300000000, 0.0001682400000000, 0.0002853500000000 ] - [ -0.0001794500000000, -0.0006401700000000, 0.0002717900000000 ] - [ -0.0004616000000000, 0.0004722700000000, 0.0002818300000000 ] - [ 0.0002130100000000, 0.0002162200000000, -0.0001783200000000 ] - [ 0.0000727600000000, -0.0002759800000000, -0.0001756600000000 ] - [ -0.0002836500000000, 0.0000732900000000, -0.0001763900000000 ] - [ -0.0001987700000000, -0.0001589300000000, 0.0001973000000000 ] - [ -0.0000423100000000, 0.0002554300000000, 0.0001979900000000 ] - [ 0.0002368100000000, -0.0000897100000000, 0.0001985700000000 ]- atom: 27 displacement: [ 0.0050000000088145, -0.0086602540327554, 0.0000000000000000 ] forces: - [ -0.0004354900000000, -0.0007623200000000, -0.0009094000000000 ] - [ 0.0000191200000000, 0.0000022400000000, 0.0005271500000000 ] - [ 0.0000199700000000, -0.0000231400000000, -0.0001147200000000 ] - [ 0.0000781500000000, 0.0004342800000000, -0.0000636800000000 ] - [ -0.0000110100000000, -0.0000151000000000, -0.0005141400000000 ] - [ -0.0001035000000000, -0.0002259400000000, 0.0003264300000000 ] - [ -0.0004134200000000, 0.0004847100000000, 0.0000748600000000 ] - [ 0.0000352500000000, -0.0000272000000000, 0.0000983900000000 ] - [ -0.0000010300000000, 0.0000011000000000, -0.0005276000000000 ] - [ -0.0000020200000000, 0.0000036700000000, 0.0005169000000000 ] - [ 0.0000026600000000, -0.0000015500000000, -0.0001161100000000 ] - [ -0.0000016800000000, -0.0000025200000000, 0.0001077000000000 ] - [ 0.0003330100000000, 0.0003641300000000, -0.0002835900000000 ] - [ 0.0000067700000000, -0.0000494600000000, 0.0000797900000000 ] - [ 0.0000776200000000, -0.0002949800000000, 0.0005874000000000 ] - [ -0.0002714900000000, 0.0000801900000000, 0.0005778700000000 ] - [ 0.0001989200000000, 0.0002326300000000, 0.0005999600000000 ] - [ 0.0033816400000000, -0.0034294800000000, 0.0000275400000000 ] - [ 0.0004826600000000, -0.0004231200000000, -0.0009065500000000 ] - [ -0.0002959100000000, -0.0004816600000000, -0.0005050800000000 ] - [ 0.0004121000000000, -0.0002563300000000, 0.0001082500000000 ] - [ -0.0005110100000000, -0.0002670000000000, 0.0001453000000000 ] - [ 0.0000818300000000, 0.0003907700000000, 0.0000762300000000 ] - [ -0.0003284100000000, 0.0002603600000000, -0.0001140600000000 ] - [ 0.0004682300000000, 0.0001502200000000, -0.0000695400000000 ] - [ -0.0002260000000000, -0.0003995400000000, -0.0002659300000000 ] - [ -0.0317949700000000, 0.0712780500000000, -0.0089191900000000 ] - [ -0.0000765200000000, -0.0016825500000000, -0.0005622400000000 ] - [ -0.0002495300000000, 0.0002403300000000, -0.0004715500000000 ] - [ -0.0000510400000000, -0.0002024400000000, 0.0002960300000000 ] - [ -0.0001383200000000, 0.0001437500000000, 0.0002995400000000 ] - [ 0.0001838300000000, 0.0000469400000000, 0.0002939100000000 ] - [ -0.0000192200000000, -0.0002670900000000, 0.0003135300000000 ] - [ 0.0001981800000000, 0.0002160900000000, 0.0001438900000000 ] - [ 0.0001682100000000, 0.0001518700000000, 0.0004336000000000 ] - [ 0.0002060900000000, 0.0002234000000000, -0.0001575800000000 ] - [ 0.0002296900000000, -0.0003529300000000, -0.0004864500000000 ] - [ -0.0002530600000000, -0.0001824900000000, -0.0000512600000000 ] - [ -0.0008686600000000, 0.0002417800000000, 0.0001409500000000 ] - [ 0.0006613900000000, 0.0006144900000000, 0.0001646900000000 ] - [ 0.0002214400000000, -0.0008704500000000, 0.0000747600000000 ] - [ -0.0006323600000000, -0.0010177400000000, 0.0018414900000000 ] - [ 0.0002595100000000, -0.0006087100000000, -0.0001686900000000 ] - [ -0.0000222300000000, 0.0009195500000000, -0.0002536700000000 ] - [ -0.0000597600000000, -0.0003610200000000, -0.0000593900000000 ] - [ 0.0005240000000000, 0.0000586900000000, -0.0007048100000000 ] - [ 0.0000784200000000, -0.0001079500000000, 0.0002784600000000 ] - [ 0.0000510900000000, 0.0003267500000000, -0.0000361100000000 ] - [ 0.0003504700000000, -0.0002563400000000, -0.0000213600000000 ] - [ -0.0003288100000000, -0.0001908800000000, 0.0000730100000000 ] - [ 0.0000314500000000, -0.0000471600000000, -0.0000553800000000 ] - [ -0.0012584500000000, -0.0000454900000000, 0.0014582200000000 ] - [ 0.0004797700000000, -0.0006090900000000, 0.0005821600000000 ] - [ 0.0000976000000000, -0.0029234300000000, -0.0004079000000000 ] - [ 0.0005390000000000, -0.0005522400000000, 0.0002311600000000 ] - [ -0.0000674600000000, 0.0002740000000000, -0.0005849800000000 ] - [ 0.0002972700000000, -0.0000718600000000, -0.0005809800000000 ] - [ -0.0002101900000000, -0.0001886800000000, -0.0005533600000000 ] - [ 0.0002732400000000, -0.0004520000000000, 0.0000526100000000 ] - [ -0.0003223600000000, -0.0000376100000000, 0.0001331200000000 ] - [ 0.0000919900000000, 0.0005290000000000, 0.0001394200000000 ] - [ -0.0002939100000000, 0.0004149800000000, -0.0000778100000000 ] - [ 0.0002666900000000, -0.0000305300000000, -0.0001513100000000 ] - [ 0.0001409000000000, -0.0007100600000000, -0.0005467500000000 ] - [ 0.0000704900000000, 0.0001772800000000, -0.0002772200000000 ] - [ 0.0001358600000000, -0.0001502600000000, -0.0002716900000000 ] - [ -0.0001975800000000, -0.0000226200000000, -0.0002803400000000 ] - [ 0.0042588900000000, 0.0004913500000000, 0.0010185400000000 ] - [ -0.0006172700000000, 0.0000482500000000, 0.0004243500000000 ] - [ 0.0006318300000000, 0.0003383200000000, 0.0001318000000000 ] - [ -0.0000483200000000, -0.0002200500000000, 0.0002762900000000 ] - [ -0.0002696800000000, 0.0002286500000000, 0.0000882900000000 ] - [ 0.0000844400000000, -0.0002848300000000, 0.0006089400000000 ] - [ -0.0000612700000000, 0.0000952800000000, -0.0002504000000000 ] - [ 0.0001525300000000, 0.0000033200000000, -0.0005162900000000 ] - [ -0.0002003400000000, 0.0000160000000000, -0.0000585800000000 ] - [ -0.0003143100000000, -0.0021181400000000, 0.0027255800000000 ] - [ 0.0003950300000000, 0.0005103600000000, 0.0000353200000000 ] - [ 0.0017234300000000, -0.0012933500000000, -0.0022435100000000 ] - [ 0.0008658800000000, -0.0002576300000000, -0.0000488200000000 ] - [ -0.0006428000000000, -0.0006357800000000, -0.0000840500000000 ] - [ -0.0002311100000000, 0.0008625900000000, -0.0001605200000000 ] - [ -0.0000550300000000, -0.0004239900000000, -0.0000215000000000 ] - [ -0.0003344700000000, 0.0001555500000000, -0.0000208600000000 ] - [ 0.0004208300000000, 0.0001388500000000, 0.0000876300000000 ] - [ -0.0000553900000000, 0.0005943300000000, -0.0000684400000000 ] - [ -0.0001588900000000, -0.0004612000000000, -0.0000769700000000 ] - [ -0.0005827800000000, -0.0003971100000000, 0.0002384700000000 ] - [ -0.0000025800000000, 0.0000031100000000, -0.0000697500000000 ] - [ 0.0000001700000000, 0.0000025100000000, 0.0000652200000000 ] - [ 0.0000732700000000, -0.0002628200000000, 0.0005804300000000 ] - [ -0.0002845700000000, 0.0000666300000000, 0.0005956500000000 ] - [ 0.0002027300000000, 0.0001990600000000, 0.0005825600000000 ] - [ -0.0000783000000000, 0.0002915900000000, -0.0005788500000000 ] - [ 0.0002781500000000, -0.0000762200000000, -0.0005676800000000 ] - [ -0.0002025100000000, -0.0002033200000000, -0.0005629500000000 ] - [ 0.0002998800000000, -0.0003100500000000, 0.0001351700000000 ] - [ -0.0004183400000000, -0.0001024500000000, 0.0001367400000000 ] - [ 0.0001199500000000, 0.0004122300000000, 0.0001332200000000 ] - [ -0.0003056400000000, 0.0003124700000000, -0.0001136600000000 ] - [ 0.0004239100000000, 0.0001072800000000, -0.0001146200000000 ] - [ -0.0001179100000000, -0.0004226200000000, -0.0001129400000000 ] - [ 0.0000538800000000, 0.0001840800000000, -0.0002871300000000 ] - [ 0.0001391800000000, -0.0001456300000000, -0.0002728100000000 ] - [ -0.0001843100000000, -0.0000586200000000, -0.0002857000000000 ] - [ -0.0000729600000000, -0.0002083200000000, 0.0002783300000000 ] - [ -0.0001363400000000, 0.0001530000000000, 0.0002996600000000 ] - [ 0.0002120800000000, 0.0000267200000000, 0.0002884000000000 ] - [ -0.0000577300000000, -0.0002165100000000, 0.0002757700000000 ] - [ -0.0001606300000000, 0.0001548500000000, 0.0002768900000000 ] - [ 0.0002137500000000, 0.0000630700000000, 0.0002753300000000 ] - [ 0.0000774200000000, 0.0002112400000000, -0.0002601100000000 ] - [ 0.0001421300000000, -0.0001714000000000, -0.0002627200000000 ] - [ -0.0002176100000000, -0.0000390300000000, -0.0002630300000000 ] - [ -0.0008341800000000, 0.0002421800000000, 0.0001185000000000 ] - [ 0.0006278100000000, 0.0006078100000000, 0.0001265800000000 ] - [ 0.0002097900000000, -0.0008456800000000, 0.0001218500000000 ] - [ 0.0008647800000000, -0.0002431500000000, -0.0000995600000000 ] - [ -0.0006417800000000, -0.0006172000000000, -0.0000949900000000 ] - [ -0.0002209600000000, 0.0008614200000000, -0.0000981100000000 ] - [ -0.0000269200000000, -0.0003751200000000, 0.0000149600000000 ] - [ -0.0003135500000000, 0.0002113000000000, 0.0000189100000000 ] - [ 0.0003412400000000, 0.0001670100000000, 0.0000204900000000 ] - [ 0.0000285300000000, 0.0003647300000000, 0.0000034200000000 ] - [ 0.0003027500000000, -0.0002077500000000, 0.0000001200000000 ] - [ -0.0003309100000000, -0.0001589600000000, 0.0000008600000000 ] - [ -0.0002253500000000, 0.0000172800000000, -0.0001045900000000 ] - [ 0.0001227600000000, 0.0001996900000000, -0.0001107400000000 ] - [ 0.0000732400000000, -0.0002071100000000, -0.0000751600000000 ] - [ 0.0014111100000000, 0.0005545900000000, -0.0009610900000000 ] - [ -0.0018583500000000, 0.0002892200000000, 0.0016090000000000 ] - [ -0.0007828900000000, 0.0010954900000000, 0.0005881100000000 ] - [ -0.0001246300000000, -0.0005920000000000, -0.0003501400000000 ] - [ -0.0001905500000000, -0.0001783900000000, -0.0000264800000000 ] - [ 0.0006006000000000, 0.0003891200000000, -0.0003706500000000 ] - [ 0.0001954500000000, 0.0004481400000000, 0.0002518400000000 ] - [ 0.0003443200000000, -0.0000682800000000, 0.0000982000000000 ] - [ -0.0003271800000000, -0.0002398200000000, 0.0001568900000000 ] - [ -0.0006369100000000, -0.0001276700000000, -0.0003022800000000 ] - [ 0.0001565600000000, 0.0006682200000000, -0.0002711900000000 ] - [ 0.0004666800000000, -0.0004383100000000, -0.0002834200000000 ] - [ 0.0004079400000000, 0.0000511200000000, 0.0004480000000000 ] - [ -0.0007185700000000, -0.0009024000000000, 0.0002999500000000 ] - [ -0.0009564300000000, -0.0014551800000000, 0.0017289100000000 ] - [ 0.0002166300000000, 0.0001281800000000, -0.0002859900000000 ] - [ -0.0000858700000000, -0.0001667000000000, -0.0002919900000000 ] - [ -0.0003043700000000, 0.0000906700000000, -0.0000334000000000 ] - [ 0.0000054600000000, -0.0001119600000000, -0.0005951500000000 ] - [ -0.0004578200000000, 0.0001547600000000, -0.0001880400000000 ] - [ -0.0001464600000000, 0.0000891800000000, 0.0001430200000000 ] - [ -0.0003820000000000, 0.0015136400000000, 0.0004164100000000 ] - [ -0.0002420400000000, 0.0003625800000000, 0.0002220400000000 ] - [ 0.0177848700000000, -0.0449365000000000, -0.0178928700000000 ] - [ 0.0000213100000000, 0.0000382900000000, 0.0001221500000000 ] - [ 0.0000089600000000, -0.0000321100000000, 0.0001289500000000 ] - [ -0.0000623800000000, -0.0000020200000000, 0.0001532800000000 ] - [ 0.0001041400000000, -0.0004575100000000, -0.0000165300000000 ] - [ 0.0000505700000000, 0.0006106900000000, -0.0000020400000000 ] - [ 0.0000846500000000, 0.0002366900000000, -0.0002576400000000 ] - [ -0.0001276700000000, 0.0000628900000000, 0.0003167800000000 ] - [ 0.0003264100000000, -0.0003859900000000, 0.0001125200000000 ] - [ -0.0000994100000000, 0.0000949800000000, -0.0000037200000000 ] - [ 0.0000041800000000, 0.0003306500000000, -0.0005826500000000 ] - [ -0.0000111400000000, -0.0012460600000000, 0.0001069400000000 ] - [ 0.0067289700000000, -0.0133158500000000, 0.0226369100000000 ] - [ 0.0006023200000000, 0.0003387000000000, 0.0002146300000000 ] - [ -0.0000804900000000, -0.0006491900000000, 0.0002521000000000 ] - [ -0.0005755400000000, 0.0004548300000000, 0.0002415800000000 ] - [ 0.0010912800000000, 0.0011055800000000, -0.0014171300000000 ] - [ 0.0003426400000000, -0.0002742600000000, -0.0001571900000000 ] - [ 0.0006412500000000, -0.0005094700000000, 0.0009424800000000 ] - [ -0.0002443300000000, -0.0002791900000000, -0.0000483400000000 ] - [ -0.0000871200000000, 0.0003625200000000, 0.0001049900000000 ] - [ 0.0002534000000000, -0.0000475600000000, 0.0003088700000000 ] - [ -0.0000383100000000, 0.0000694900000000, -0.0001602700000000 ] - [ 0.0000935400000000, -0.0000514800000000, -0.0001651600000000 ] - [ -0.0000369200000000, -0.0000631000000000, -0.0001573900000000 ] - [ 0.0002177300000000, -0.0000467800000000, 0.0000763300000000 ] - [ -0.0001332500000000, -0.0002008000000000, 0.0000783600000000 ] - [ -0.0000834500000000, 0.0002112400000000, 0.0000691900000000 ] - [ -0.0000681000000000, -0.0003759000000000, -0.0001515800000000 ] - [ -0.0002897000000000, 0.0002388400000000, -0.0001507000000000 ] - [ 0.0003569500000000, 0.0001242800000000, -0.0001542700000000 ] - [ -0.0000335800000000, 0.0004861700000000, 0.0001970100000000 ] - [ 0.0004299700000000, -0.0002210100000000, 0.0001992300000000 ] - [ -0.0004131800000000, -0.0002604300000000, 0.0001997700000000 ] - [ -0.0006214200000000, 0.0000034600000000, -0.0002287800000000 ] - [ 0.0003118200000000, 0.0005329600000000, -0.0002245100000000 ] - [ 0.0003026900000000, -0.0005451400000000, -0.0002238500000000 ] - [ 0.0006365500000000, 0.0001646800000000, 0.0002589200000000 ] - [ -0.0001689400000000, -0.0006295400000000, 0.0002724400000000 ] - [ -0.0004635500000000, 0.0004669200000000, 0.0002604200000000 ] - [ 0.0002048100000000, 0.0002123600000000, -0.0002026900000000 ] - [ 0.0000826400000000, -0.0002787800000000, -0.0002074000000000 ] - [ -0.0002806200000000, 0.0000738700000000, -0.0002073100000000 ] - [ -0.0002007000000000, -0.0001627500000000, 0.0001738000000000 ] - [ -0.0000336200000000, 0.0002489800000000, 0.0001748300000000 ] - [ 0.0002364200000000, -0.0000902600000000, 0.0001738800000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0017105600000000, 0.0017694100000000, 0.0016183700000000 ] - [ -0.0000129100000000, -0.0000082400000000, 0.0004177600000000 ] - [ 0.0000168500000000, 0.0000119900000000, -0.0002123100000000 ] - [ 0.0000898600000000, 0.0001908000000000, 0.0001771300000000 ] - [ -0.0000707600000000, -0.0000159300000000, -0.0006306400000000 ] - [ -0.0000733800000000, -0.0000179100000000, 0.0007874900000000 ] - [ 0.0001483200000000, -0.0001475100000000, 0.0000248000000000 ] - [ 0.0000007900000000, 0.0000126900000000, 0.0000144200000000 ] - [ -0.0000009500000000, 0.0000008900000000, -0.0006247300000000 ] - [ -0.0000004500000000, -0.0000000900000000, 0.0004196800000000 ] - [ 0.0000024400000000, 0.0000005700000000, -0.0002087100000000 ] - [ -0.0000000500000000, -0.0000005000000000, 0.0000148200000000 ] - [ -0.0004273600000000, -0.0000527900000000, -0.0002584100000000 ] - [ 0.0000187000000000, 0.0000066400000000, 0.0002099200000000 ] - [ 0.0001193600000000, -0.0003161000000000, 0.0007183200000000 ] - [ -0.0003371300000000, 0.0000543200000000, 0.0007328900000000 ] - [ 0.0002153700000000, 0.0002671600000000, 0.0007347500000000 ] - [ 0.0025847100000000, -0.0019875400000000, -0.0006824800000000 ] - [ 0.0003528500000000, -0.0000972700000000, -0.0009689000000000 ] - [ -0.0002152400000000, -0.0005455300000000, -0.0012981700000000 ] - [ 0.0004212200000000, -0.0004237800000000, 0.0000253800000000 ] - [ -0.0005401800000000, -0.0000514200000000, 0.0003135700000000 ] - [ 0.0002414300000000, 0.0004209300000000, 0.0001772700000000 ] - [ -0.0002926000000000, 0.0002717400000000, -0.0000760100000000 ] - [ 0.0003945300000000, 0.0001064000000000, -0.0000697000000000 ] - [ -0.0000427800000000, -0.0003320100000000, 0.0000312000000000 ] - [ -0.0104733400000000, 0.0040565200000000, -0.0872757800000000 ] - [ 0.0003218600000000, 0.0001066000000000, -0.0010109000000000 ] - [ -0.0006511600000000, -0.0000907500000000, -0.0010151700000000 ] - [ -0.0000668700000000, -0.0002088600000000, 0.0004272900000000 ] - [ -0.0001426100000000, 0.0001596600000000, 0.0004262200000000 ] - [ 0.0002105800000000, 0.0000452100000000, 0.0004281200000000 ] - [ -0.0000667300000000, -0.0001978600000000, 0.0003161100000000 ] - [ -0.0004929900000000, 0.0001886100000000, 0.0004071700000000 ] - [ 0.0001750800000000, 0.0000355500000000, 0.0005090300000000 ] - [ 0.0001976500000000, 0.0001812100000000, -0.0001716800000000 ] - [ -0.0000258400000000, 0.0001656300000000, 0.0000299400000000 ] - [ -0.0002179000000000, -0.0003067400000000, 0.0001082400000000 ] - [ -0.0008851700000000, 0.0002431600000000, 0.0002788500000000 ] - [ 0.0006740800000000, 0.0006442300000000, 0.0002549800000000 ] - [ 0.0002268600000000, -0.0008880700000000, 0.0002582300000000 ] - [ -0.0004865200000000, -0.0020717900000000, 0.0015447100000000 ] - [ -0.0001254600000000, -0.0006299300000000, -0.0003962700000000 ] - [ -0.0003687400000000, 0.0008925200000000, -0.0006561100000000 ] - [ -0.0000891900000000, -0.0003868500000000, -0.0001528500000000 ] - [ -0.0019251100000000, 0.0005655600000000, 0.0004864700000000 ] - [ -0.0001338400000000, -0.0001468200000000, 0.0002568700000000 ] - [ -0.0000113400000000, 0.0003936200000000, 0.0001175900000000 ] - [ 0.0003164800000000, -0.0001981200000000, 0.0001215400000000 ] - [ -0.0003266900000000, -0.0002756400000000, 0.0002462200000000 ] - [ -0.0000139500000000, 0.0000299600000000, 0.0000359000000000 ] - [ -0.0015862200000000, -0.0024303800000000, 0.0021552700000000 ] - [ 0.0000484100000000, -0.0001859800000000, 0.0001174800000000 ] - [ 0.0001175800000000, 0.0019012200000000, 0.0002038400000000 ] - [ 0.0002258900000000, -0.0000067300000000, -0.0000437200000000 ] - [ -0.0000283200000000, 0.0002551800000000, -0.0004286700000000 ] - [ 0.0002173900000000, -0.0001008600000000, -0.0004351700000000 ] - [ -0.0001807300000000, -0.0001991400000000, -0.0004415700000000 ] - [ 0.0002970800000000, -0.0002466200000000, 0.0001732900000000 ] - [ -0.0004698500000000, -0.0001334200000000, 0.0001535100000000 ] - [ 0.0004083600000000, 0.0005745800000000, 0.0007566300000000 ] - [ -0.0001151300000000, 0.0002057900000000, -0.0000440100000000 ] - [ 0.0006020500000000, 0.0002849700000000, -0.0001028000000000 ] - [ -0.0003373300000000, -0.0002298200000000, 0.0001823200000000 ] - [ 0.0000594900000000, 0.0001776900000000, -0.0001534300000000 ] - [ 0.0001217200000000, -0.0001357600000000, -0.0001517500000000 ] - [ -0.0001651000000000, -0.0000231400000000, -0.0001299000000000 ] - [ 0.0013995400000000, -0.0001769100000000, -0.0008809000000000 ] - [ 0.0000270600000000, 0.0001376500000000, -0.0002438000000000 ] - [ 0.0002601400000000, 0.0001501900000000, -0.0002435300000000 ] - [ -0.0001008900000000, -0.0002191800000000, 0.0002891800000000 ] - [ -0.0001977300000000, 0.0003023700000000, 0.0004801200000000 ] - [ 0.0002028700000000, 0.0000327800000000, 0.0001984500000000 ] - [ -0.0001713000000000, 0.0001305200000000, -0.0002165700000000 ] - [ -0.0000494900000000, -0.0000798700000000, -0.0001466000000000 ] - [ -0.0000858400000000, -0.0003233900000000, -0.0002624400000000 ] - [ -0.0016505000000000, 0.0009970800000000, -0.0002761400000000 ] - [ 0.0004209000000000, 0.0004559400000000, -0.0003354000000000 ] - [ -0.0017970400000000, 0.0004385000000000, 0.0013959200000000 ] - [ 0.0008688900000000, -0.0002583100000000, 0.0000157200000000 ] - [ -0.0006522800000000, -0.0006104200000000, 0.0000239400000000 ] - [ -0.0002386700000000, 0.0008525000000000, 0.0000647300000000 ] - [ -0.0001230000000000, -0.0003213600000000, 0.0001502500000000 ] - [ -0.0003280500000000, 0.0003060000000000, 0.0001134600000000 ] - [ 0.0003829000000000, 0.0001209200000000, 0.0000956300000000 ] - [ -0.0001162400000000, 0.0003519100000000, -0.0000412300000000 ] - [ 0.0015406000000000, -0.0007226200000000, 0.0040366300000000 ] - [ -0.0002446400000000, -0.0002947000000000, -0.0001640800000000 ] - [ 0.0000033900000000, -0.0000004200000000, 0.0000416100000000 ] - [ 0.0000142000000000, -0.0000056200000000, 0.0001792800000000 ] - [ 0.0001087500000000, -0.0003105200000000, 0.0007322900000000 ] - [ -0.0003188500000000, 0.0000436200000000, 0.0007276000000000 ] - [ 0.0002026200000000, 0.0002531100000000, 0.0007190700000000 ] - [ -0.0000395700000000, 0.0002536900000000, -0.0004289700000000 ] - [ 0.0002299700000000, -0.0000974800000000, -0.0004291900000000 ] - [ -0.0001983400000000, -0.0001627300000000, -0.0004337700000000 ] - [ 0.0003302100000000, -0.0003429200000000, 0.0002524400000000 ] - [ -0.0004647900000000, -0.0001134000000000, 0.0002577000000000 ] - [ 0.0001327500000000, 0.0004578400000000, 0.0002517400000000 ] - [ -0.0002746300000000, 0.0002797100000000, 0.0000028500000000 ] - [ 0.0003788700000000, 0.0000962100000000, 0.0000026700000000 ] - [ -0.0001057300000000, -0.0003766800000000, 0.0000044500000000 ] - [ 0.0000338000000000, 0.0001740200000000, -0.0001585500000000 ] - [ 0.0001335300000000, -0.0001206400000000, -0.0001327600000000 ] - [ -0.0001584500000000, -0.0000481200000000, -0.0001581800000000 ] - [ -0.0000960300000000, -0.0002074000000000, 0.0004164800000000 ] - [ -0.0001401900000000, 0.0001794200000000, 0.0004073000000000 ] - [ 0.0002180000000000, 0.0000428000000000, 0.0004091300000000 ] - [ -0.0000709700000000, -0.0002275700000000, 0.0004224500000000 ] - [ -0.0001593200000000, 0.0001742800000000, 0.0004221100000000 ] - [ 0.0002290800000000, 0.0000537400000000, 0.0004214100000000 ] - [ 0.0000644000000000, 0.0002002700000000, -0.0001144000000000 ] - [ 0.0001416500000000, -0.0001537700000000, -0.0001160100000000 ] - [ -0.0002021000000000, -0.0000483300000000, -0.0001166800000000 ] - [ -0.0008552600000000, 0.0002436100000000, 0.0002682500000000 ] - [ 0.0006408200000000, 0.0006118100000000, 0.0002733600000000 ] - [ 0.0002216300000000, -0.0008552200000000, 0.0002750200000000 ] - [ 0.0008450900000000, -0.0002421900000000, 0.0000529900000000 ] - [ -0.0006281200000000, -0.0006060800000000, 0.0000563800000000 ] - [ -0.0002145800000000, 0.0008507900000000, 0.0000507100000000 ] - [ -0.0000844300000000, -0.0003655000000000, 0.0001547300000000 ] - [ -0.0002789500000000, 0.0002569600000000, 0.0001522800000000 ] - [ 0.0003636700000000, 0.0001136100000000, 0.0001536300000000 ] - [ -0.0000318800000000, 0.0003746900000000, 0.0001529000000000 ] - [ 0.0003379500000000, -0.0001618600000000, 0.0001347500000000 ] - [ -0.0003098400000000, -0.0002143500000000, 0.0001344600000000 ] - [ -0.0002070300000000, 0.0000001800000000, -0.0002897200000000 ] - [ 0.0000922800000000, 0.0001785500000000, -0.0002724200000000 ] - [ 0.0001135600000000, -0.0001749400000000, -0.0002805900000000 ] - [ -0.0005711200000000, 0.0001770200000000, 0.0019379100000000 ] - [ -0.0008386500000000, -0.0002143500000000, 0.0017981500000000 ] - [ 0.0002113200000000, 0.0002631500000000, 0.0007853200000000 ] - [ 0.0001741700000000, -0.0005120900000000, -0.0001611600000000 ] - [ -0.0005704900000000, 0.0002465800000000, -0.0004882100000000 ] - [ 0.0004419000000000, 0.0001770100000000, -0.0005062800000000 ] - [ -0.0000459800000000, 0.0002586800000000, -0.0001015400000000 ] - [ 0.0004087400000000, -0.0000583300000000, 0.0000346100000000 ] - [ -0.0004170700000000, -0.0001498400000000, 0.0000623800000000 ] - [ -0.0006902900000000, -0.0001582500000000, -0.0004897700000000 ] - [ 0.0001574500000000, 0.0006465200000000, -0.0004774700000000 ] - [ 0.0004640000000000, -0.0004571500000000, -0.0004816600000000 ] - [ 0.0005307300000000, -0.0001643100000000, 0.0009291600000000 ] - [ -0.0002484600000000, -0.0006642500000000, 0.0008638500000000 ] - [ 0.0031842700000000, 0.0013897100000000, 0.0004893000000000 ] - [ 0.0001777500000000, 0.0001713600000000, -0.0005012400000000 ] - [ -0.0000044000000000, -0.0002835400000000, -0.0004059000000000 ] - [ -0.0002011600000000, 0.0000977000000000, -0.0005077400000000 ] - [ 0.0000903900000000, -0.0002021400000000, -0.0008174300000000 ] - [ -0.0002461400000000, 0.0002652800000000, 0.0000937600000000 ] - [ 0.0011631100000000, -0.0003627500000000, 0.0007469900000000 ] - [ 0.0000654100000000, -0.0000392500000000, 0.0005466900000000 ] - [ 0.0001986200000000, -0.0000550900000000, 0.0005389500000000 ] - [ -0.0067052700000000, 0.0170202300000000, 0.0111990200000000 ] - [ 0.0000227700000000, 0.0000406400000000, -0.0000392900000000 ] - [ 0.0000004200000000, -0.0000520000000000, -0.0000406200000000 ] - [ 0.0000044700000000, 0.0000462100000000, -0.0000724200000000 ] - [ -0.0001067000000000, -0.0008802700000000, -0.0003650700000000 ] - [ -0.0004089700000000, -0.0000081700000000, -0.0002784500000000 ] - [ 0.0002783400000000, 0.0002209000000000, -0.0002998300000000 ] - [ 0.0002239900000000, 0.0004057500000000, 0.0000962900000000 ] - [ -0.0005527600000000, 0.0012286900000000, -0.0007409200000000 ] - [ -0.0004614900000000, -0.0001809400000000, 0.0001831100000000 ] - [ -0.0007949600000000, 0.0010648400000000, 0.0011955800000000 ] - [ 0.0019729200000000, 0.0008877900000000, 0.0006755000000000 ] - [ 0.0135241900000000, -0.0225525900000000, 0.0628412800000000 ] - [ 0.0006293300000000, 0.0002847700000000, 0.0000667900000000 ] - [ -0.0000238500000000, -0.0007299600000000, 0.0000362800000000 ] - [ -0.0005712700000000, 0.0003831200000000, 0.0000702900000000 ] - [ -0.0000881400000000, 0.0005403100000000, 0.0001766900000000 ] - [ 0.0006377300000000, -0.0000571600000000, -0.0000207600000000 ] - [ 0.0003925900000000, -0.0004556100000000, -0.0009182100000000 ] - [ -0.0003223100000000, -0.0001456900000000, -0.0000134400000000 ] - [ 0.0000493800000000, 0.0002555600000000, -0.0000087500000000 ] - [ 0.0004080000000000, -0.0000867000000000, -0.0001769700000000 ] - [ -0.0000057800000000, 0.0000486200000000, -0.0003426800000000 ] - [ 0.0000634600000000, 0.0000059000000000, -0.0003676700000000 ] - [ -0.0000447900000000, -0.0000376500000000, -0.0003336600000000 ] - [ 0.0002492100000000, -0.0000566900000000, -0.0001105100000000 ] - [ -0.0001726000000000, -0.0001834000000000, -0.0001186900000000 ] - [ -0.0000569900000000, 0.0002337400000000, -0.0001033300000000 ] - [ -0.0000680400000000, -0.0004048400000000, -0.0003310600000000 ] - [ -0.0003117800000000, 0.0002468700000000, -0.0003306200000000 ] - [ 0.0003781200000000, 0.0001411000000000, -0.0003342800000000 ] - [ -0.0000335700000000, 0.0004559200000000, 0.0000136100000000 ] - [ 0.0004076500000000, -0.0002124300000000, 0.0000183900000000 ] - [ -0.0003920600000000, -0.0002437600000000, 0.0000200700000000 ] - [ -0.0006373900000000, 0.0000208700000000, -0.0004089600000000 ] - [ 0.0003103000000000, 0.0005199400000000, -0.0004445800000000 ] - [ 0.0003008700000000, -0.0005557200000000, -0.0004050900000000 ] - [ 0.0006235700000000, 0.0001701000000000, 0.0000702300000000 ] - [ -0.0001660200000000, -0.0006335800000000, 0.0000679800000000 ] - [ -0.0004663200000000, 0.0004575200000000, 0.0000720400000000 ] - [ 0.0001811900000000, 0.0002326200000000, -0.0004381700000000 ] - [ 0.0001030000000000, -0.0002583300000000, -0.0004445800000000 ] - [ -0.0002848200000000, 0.0000451200000000, -0.0004443500000000 ] - [ -0.0002255800000000, -0.0001426200000000, -0.0000599800000000 ] - [ -0.0000118500000000, 0.0002638000000000, -0.0000635700000000 ] - [ 0.0002357500000000, -0.0001183400000000, -0.0000611700000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0017567900000000, -0.0018360600000000, -0.0027120100000000 ] - [ 0.0000134800000000, 0.0000098000000000, 0.0006235600000000 ] - [ -0.0000145900000000, -0.0000106200000000, -0.0000127500000000 ] - [ -0.0000907800000000, -0.0001871100000000, 0.0000419900000000 ] - [ 0.0000707900000000, 0.0000149800000000, -0.0004130600000000 ] - [ 0.0000716400000000, 0.0000194000000000, 0.0002580900000000 ] - [ -0.0001492100000000, 0.0001506100000000, -0.0002441800000000 ] - [ -0.0000014600000000, -0.0000143800000000, 0.0002073300000000 ] - [ 0.0000004100000000, -0.0000024900000000, -0.0004169400000000 ] - [ -0.0000018700000000, 0.0000016700000000, 0.0006224300000000 ] - [ -0.0000003000000000, -0.0000005300000000, -0.0000126700000000 ] - [ -0.0000020500000000, -0.0000012300000000, 0.0002101600000000 ] - [ 0.0004278500000000, 0.0000531000000000, 0.0001412700000000 ] - [ -0.0000221000000000, -0.0000061800000000, -0.0000595500000000 ] - [ 0.0000380300000000, -0.0002552500000000, 0.0004417300000000 ] - [ -0.0002339500000000, 0.0000973600000000, 0.0004282500000000 ] - [ 0.0002000600000000, 0.0001522800000000, 0.0004229500000000 ] - [ -0.0027157200000000, 0.0025066200000000, -0.0004663900000000 ] - [ 0.0001933200000000, -0.0000440500000000, -0.0001920500000000 ] - [ -0.0001793200000000, 0.0001448100000000, 0.0001405000000000 ] - [ 0.0001937200000000, -0.0002033300000000, 0.0002231000000000 ] - [ -0.0003104800000000, -0.0001653800000000, -0.0000698200000000 ] - [ -0.0000054500000000, 0.0004277300000000, 0.0000628300000000 ] - [ -0.0003025900000000, 0.0003440100000000, -0.0001827300000000 ] - [ 0.0004355900000000, 0.0000973200000000, -0.0001889600000000 ] - [ -0.0001965700000000, -0.0004883800000000, -0.0002875500000000 ] - [ 0.0100699300000000, -0.0026211000000000, 0.0845854100000000 ] - [ -0.0000525000000000, -0.0004360500000000, 0.0004463400000000 ] - [ 0.0002508600000000, 0.0000343000000000, 0.0004421400000000 ] - [ -0.0000349400000000, -0.0001770900000000, 0.0001551100000000 ] - [ -0.0001384200000000, 0.0001188700000000, 0.0001556100000000 ] - [ 0.0001653200000000, 0.0000488700000000, 0.0001574600000000 ] - [ -0.0000912400000000, -0.0002253400000000, 0.0002228800000000 ] - [ 0.0002149700000000, 0.0001575600000000, 0.0001314000000000 ] - [ 0.0002630600000000, 0.0000405400000000, 0.0000328100000000 ] - [ -0.0000839600000000, 0.0002535900000000, -0.0003593000000000 ] - [ 0.0003469000000000, -0.0004828800000000, -0.0005706400000000 ] - [ -0.0002085900000000, 0.0001828100000000, -0.0006448300000000 ] - [ -0.0008401300000000, 0.0002475100000000, -0.0000669300000000 ] - [ 0.0006087600000000, 0.0005994200000000, -0.0000434700000000 ] - [ 0.0002128700000000, -0.0008436800000000, -0.0000459900000000 ] - [ 0.0021628900000000, 0.0015960700000000, -0.0017637400000000 ] - [ -0.0011221000000000, -0.0005752400000000, 0.0001703900000000 ] - [ -0.0000489300000000, 0.0007949900000000, 0.0004335300000000 ] - [ 0.0000252900000000, -0.0003404200000000, 0.0001643600000000 ] - [ 0.0013429200000000, -0.0001509400000000, -0.0004781100000000 ] - [ 0.0008047100000000, 0.0004623500000000, -0.0002436500000000 ] - [ 0.0000594300000000, 0.0003561200000000, -0.0001398500000000 ] - [ 0.0003164300000000, -0.0002201000000000, -0.0001442300000000 ] - [ -0.0003519500000000, -0.0000641600000000, -0.0002709800000000 ] - [ 0.0000144700000000, -0.0000298400000000, -0.0001838900000000 ] - [ 0.0015431200000000, 0.0023897900000000, -0.0019632400000000 ] - [ 0.0001052900000000, -0.0003783000000000, 0.0010490400000000 ] - [ -0.0006761100000000, -0.0017588300000000, 0.0009571500000000 ] - [ 0.0001889600000000, 0.0004217000000000, 0.0012068600000000 ] - [ -0.0001269500000000, 0.0003114300000000, -0.0007381400000000 ] - [ 0.0003484300000000, -0.0000494100000000, -0.0007313100000000 ] - [ -0.0002316100000000, -0.0002197000000000, -0.0007229400000000 ] - [ 0.0002917000000000, -0.0003689200000000, 0.0000784200000000 ] - [ -0.0003552700000000, -0.0000662000000000, 0.0000988200000000 ] - [ -0.0001673700000000, 0.0002437600000000, -0.0004979900000000 ] - [ -0.0004727800000000, 0.0004076400000000, -0.0002083200000000 ] - [ 0.0002238000000000, -0.0000846200000000, -0.0001509000000000 ] - [ 0.0000994400000000, -0.0005887100000000, -0.0004348700000000 ] - [ 0.0000838300000000, 0.0001991800000000, -0.0004183000000000 ] - [ 0.0001334000000000, -0.0001742600000000, -0.0004205500000000 ] - [ -0.0002234500000000, -0.0000297400000000, -0.0004461300000000 ] - [ -0.0015538800000000, -0.0001938500000000, 0.0014430300000000 ] - [ -0.0002839500000000, 0.0001697700000000, 0.0008180600000000 ] - [ 0.0001314200000000, -0.0000958700000000, 0.0008184600000000 ] - [ 0.0000030100000000, -0.0001626500000000, 0.0002459100000000 ] - [ -0.0000862600000000, -0.0000285700000000, 0.0000570500000000 ] - [ 0.0001701800000000, 0.0000781200000000, 0.0003375900000000 ] - [ 0.0002670100000000, 0.0002510800000000, -0.0003190400000000 ] - [ 0.0003294000000000, -0.0001911500000000, -0.0003925100000000 ] - [ -0.0002857000000000, 0.0002112800000000, -0.0002753300000000 ] - [ -0.0000789700000000, -0.0005192500000000, 0.0004941000000000 ] - [ 0.0008445900000000, 0.0007941300000000, 0.0005438400000000 ] - [ 0.0022278000000000, -0.0021501200000000, -0.0011797800000000 ] - [ 0.0008566200000000, -0.0002155800000000, -0.0002261000000000 ] - [ -0.0006172500000000, -0.0006414300000000, -0.0002344800000000 ] - [ -0.0002150100000000, 0.0008708300000000, -0.0002759600000000 ] - [ 0.0000564100000000, -0.0004616000000000, -0.0001414000000000 ] - [ -0.0003190500000000, 0.0001420000000000, -0.0001050800000000 ] - [ 0.0003345500000000, 0.0002181200000000, -0.0000854900000000 ] - [ 0.0001823900000000, 0.0004331800000000, 0.0000315800000000 ] - [ -0.0008652100000000, 0.0002946200000000, -0.0039524000000000 ] - [ -0.0004715300000000, -0.0000450400000000, 0.0001537800000000 ] - [ -0.0000002000000000, -0.0000005900000000, -0.0001917900000000 ] - [ -0.0000149500000000, 0.0000052700000000, -0.0000612500000000 ] - [ 0.0000418000000000, -0.0002315400000000, 0.0004296800000000 ] - [ -0.0002246700000000, 0.0000978700000000, 0.0004336500000000 ] - [ 0.0001906200000000, 0.0001495200000000, 0.0004394500000000 ] - [ -0.0001175400000000, 0.0003174200000000, -0.0007306300000000 ] - [ 0.0003408300000000, -0.0000543400000000, -0.0007314900000000 ] - [ -0.0002173600000000, -0.0002561400000000, -0.0007234200000000 ] - [ 0.0002639600000000, -0.0002726900000000, 0.0000065500000000 ] - [ -0.0003645900000000, -0.0000900700000000, 0.0000024200000000 ] - [ 0.0001049400000000, 0.0003636000000000, 0.0000049700000000 ] - [ -0.0003400400000000, 0.0003489000000000, -0.0002452100000000 ] - [ 0.0004721100000000, 0.0001199800000000, -0.0002462100000000 ] - [ -0.0001313500000000, -0.0004715500000000, -0.0002451300000000 ] - [ 0.0000678700000000, 0.0002120200000000, -0.0004234500000000 ] - [ 0.0001478800000000, -0.0001578800000000, -0.0004488500000000 ] - [ -0.0002176400000000, -0.0000460800000000, -0.0004268100000000 ] - [ -0.0000474400000000, -0.0001882700000000, 0.0001498100000000 ] - [ -0.0001310000000000, 0.0001400200000000, 0.0001585900000000 ] - [ 0.0001871600000000, 0.0000199200000000, 0.0001603200000000 ] - [ -0.0000419200000000, -0.0002067200000000, 0.0001108700000000 ] - [ -0.0001595600000000, 0.0001372300000000, 0.0001143600000000 ] - [ 0.0001964400000000, 0.0000704300000000, 0.0001150800000000 ] - [ 0.0000943500000000, 0.0002216900000000, -0.0004234700000000 ] - [ 0.0001434600000000, -0.0001914200000000, -0.0004244600000000 ] - [ -0.0002367300000000, -0.0000280800000000, -0.0004238100000000 ] - [ -0.0008209100000000, 0.0002398300000000, -0.0000416800000000 ] - [ 0.0006141200000000, 0.0005929500000000, -0.0000464000000000 ] - [ 0.0001987600000000, -0.0008319500000000, -0.0000474500000000 ] - [ 0.0008802900000000, -0.0002488100000000, -0.0002645500000000 ] - [ -0.0006545600000000, -0.0006376700000000, -0.0002666800000000 ] - [ -0.0002253300000000, 0.0008809600000000, -0.0002630700000000 ] - [ 0.0000362700000000, -0.0003846600000000, -0.0001326600000000 ] - [ -0.0003530500000000, 0.0001605800000000, -0.0001289500000000 ] - [ 0.0003161500000000, 0.0002260800000000, -0.0001292300000000 ] - [ 0.0000951900000000, 0.0003525200000000, -0.0001636200000000 ] - [ 0.0002634300000000, -0.0002567200000000, -0.0001458500000000 ] - [ -0.0003575300000000, -0.0001000900000000, -0.0001468900000000 ] - [ -0.0002557100000000, 0.0000585000000000, 0.0001176000000000 ] - [ 0.0001794000000000, 0.0001766300000000, 0.0001037600000000 ] - [ 0.0000672700000000, -0.0002342500000000, 0.0001098900000000 ] - [ 0.0006274100000000, -0.0003214200000000, -0.0016429000000000 ] - [ 0.0006608600000000, 0.0002594300000000, -0.0014894500000000 ] - [ -0.0001006300000000, -0.0001266000000000, -0.0004896900000000 ] - [ -0.0001073800000000, -0.0004630200000000, -0.0002574900000000 ] - [ -0.0002857100000000, 0.0001961200000000, 0.0000717300000000 ] - [ 0.0003825300000000, 0.0003452200000000, 0.0000897600000000 ] - [ 0.0001885200000000, 0.0004943800000000, 0.0003862800000000 ] - [ 0.0001650300000000, -0.0004154500000000, 0.0002464300000000 ] - [ -0.0002980400000000, -0.0000976100000000, 0.0002147000000000 ] - [ -0.0005793600000000, -0.0001755400000000, -0.0000553300000000 ] - [ 0.0001903100000000, 0.0006252400000000, -0.0000672600000000 ] - [ 0.0004632500000000, -0.0004822900000000, -0.0000608300000000 ] - [ 0.0007087100000000, 0.0001564600000000, -0.0005026200000000 ] - [ -0.0003795600000000, -0.0004057200000000, -0.0004384500000000 ] - [ -0.0037965300000000, -0.0003080500000000, -0.0000816700000000 ] - [ 0.0002202200000000, 0.0001505200000000, 0.0001272700000000 ] - [ 0.0000794700000000, -0.0002181800000000, 0.0000293000000000 ] - [ -0.0002715200000000, 0.0000809600000000, 0.0001358200000000 ] - [ -0.0005026300000000, -0.0002207100000000, 0.0011987400000000 ] - [ 0.0000877500000000, 0.0002873300000000, 0.0002874000000000 ] - [ -0.0006057100000000, 0.0002175800000000, -0.0003679000000000 ] - [ -0.0001154900000000, -0.0000362300000000, -0.0008410000000000 ] - [ -0.0002506300000000, 0.0001284100000000, -0.0008222300000000 ] - [ 0.0067407000000000, -0.0168944700000000, -0.0115769700000000 ] - [ 0.0000218500000000, 0.0000384600000000, 0.0003293200000000 ] - [ 0.0000521500000000, -0.0000247000000000, 0.0003253300000000 ] - [ -0.0000975300000000, -0.0000419800000000, 0.0003601000000000 ] - [ 0.0001055200000000, 0.0002316700000000, 0.0000577000000000 ] - [ -0.0001424700000000, 0.0003171300000000, -0.0000244700000000 ] - [ 0.0002646500000000, 0.0001269400000000, -0.0000062600000000 ] - [ -0.0002219300000000, 0.0002345700000000, 0.0002102900000000 ] - [ 0.0010967400000000, -0.0015198600000000, 0.0010381400000000 ] - [ -0.0000832300000000, -0.0001649900000000, 0.0001229300000000 ] - [ -0.0004595800000000, -0.0016464500000000, -0.0016885600000000 ] - [ -0.0018501400000000, 0.0004732000000000, -0.0011632400000000 ] - [ -0.0117509900000000, 0.0206677000000000, -0.0611933700000000 ] - [ 0.0006269800000000, 0.0003027900000000, 0.0004290900000000 ] - [ -0.0000981800000000, -0.0006378400000000, 0.0004613600000000 ] - [ -0.0005626200000000, 0.0004108900000000, 0.0004241500000000 ] - [ 0.0004653000000000, 0.0000354700000000, -0.0004707100000000 ] - [ -0.0003240200000000, -0.0005573800000000, -0.0002768200000000 ] - [ -0.0010663300000000, 0.0004882900000000, 0.0006218500000000 ] - [ -0.0000574000000000, -0.0004293600000000, 0.0003110800000000 ] - [ -0.0003548000000000, 0.0003598900000000, 0.0003073200000000 ] - [ 0.0002814600000000, 0.0000473000000000, 0.0004753000000000 ] - [ -0.0000418200000000, 0.0001035100000000, 0.0000390400000000 ] - [ 0.0001015600000000, -0.0000478100000000, 0.0000687500000000 ] - [ -0.0000661800000000, -0.0001037200000000, 0.0000330400000000 ] - [ 0.0002135200000000, -0.0000020300000000, 0.0002822300000000 ] - [ -0.0000990600000000, -0.0001715300000000, 0.0002866600000000 ] - [ -0.0001240000000000, 0.0001756000000000, 0.0002736100000000 ] - [ -0.0000710500000000, -0.0003490100000000, 0.0000475600000000 ] - [ -0.0002634000000000, 0.0002278200000000, 0.0000479700000000 ] - [ 0.0003314500000000, 0.0001080600000000, 0.0000474200000000 ] - [ -0.0000360700000000, 0.0005183900000000, 0.0004023400000000 ] - [ 0.0004559500000000, -0.0002325100000000, 0.0003981300000000 ] - [ -0.0004326000000000, -0.0002767700000000, 0.0003976400000000 ] - [ -0.0006063800000000, -0.0000104400000000, -0.0000168800000000 ] - [ 0.0003166300000000, 0.0005480400000000, 0.0000172600000000 ] - [ 0.0003132500000000, -0.0005313300000000, -0.0000200500000000 ] - [ 0.0006463200000000, 0.0001642800000000, 0.0004738100000000 ] - [ -0.0001818900000000, -0.0006382600000000, 0.0004758300000000 ] - [ -0.0004609200000000, 0.0004823000000000, 0.0004698700000000 ] - [ 0.0002350500000000, 0.0001953700000000, 0.0000541100000000 ] - [ 0.0000525800000000, -0.0002948500000000, 0.0000582700000000 ] - [ -0.0002782600000000, 0.0001009400000000, 0.0000574900000000 ] - [ -0.0001726100000000, -0.0001784400000000, 0.0004330000000000 ] - [ -0.0000641500000000, 0.0002389600000000, 0.0004383400000000 ] - [ 0.0002360800000000, -0.0000607400000000, 0.0004355900000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000216584, 0.0000000000000000 ] forces: - [ -0.0000090700000000, 0.0002637300000000, -0.0004919700000000 ] - [ 0.0001406900000000, 0.0003536900000000, 0.0003752000000000 ] - [ 0.0002235800000000, 0.0001528800000000, 0.0005354400000000 ] - [ -0.0002805500000000, -0.0004136200000000, -0.0004332400000000 ] - [ 0.0000018200000000, -0.0000000400000000, -0.0005143700000000 ] - [ 0.0000385900000000, -0.0000119200000000, 0.0005614900000000 ] - [ -0.0000369700000000, -0.0000217700000000, -0.0001016500000000 ] - [ -0.0000011100000000, 0.0000021200000000, 0.0001258800000000 ] - [ -0.0000100000000000, -0.0000173800000000, -0.0004947200000000 ] - [ -0.0000034300000000, 0.0000000600000000, 0.0005375600000000 ] - [ -0.0000000700000000, 0.0000036600000000, -0.0001054200000000 ] - [ 0.0000226000000000, -0.0000190100000000, 0.0001162800000000 ] - [ 0.0006060500000000, 0.0007760400000000, -0.0008120600000000 ] - [ 0.0004368000000000, 0.0003359500000000, -0.0001679200000000 ] - [ 0.0001696200000000, -0.0005455000000000, 0.0011234000000000 ] - [ -0.0004044700000000, 0.0000052500000000, 0.0006520200000000 ] - [ 0.0004003200000000, 0.0002629200000000, 0.0005895000000000 ] - [ 0.0000829800000000, 0.0001232100000000, -0.0002956700000000 ] - [ 0.0002077100000000, -0.0000588200000000, -0.0005438900000000 ] - [ 0.0003641700000000, -0.0004984000000000, -0.0010815700000000 ] - [ 0.0010663100000000, -0.0009105700000000, 0.0001774100000000 ] - [ -0.0007264500000000, -0.0002045100000000, 0.0005338500000000 ] - [ 0.0002851600000000, 0.0000612200000000, -0.0000084000000000 ] - [ 0.0028369800000000, -0.0028414500000000, 0.0004947700000000 ] - [ 0.0002510400000000, -0.0004799600000000, -0.0002568500000000 ] - [ -0.0001043000000000, -0.0003110600000000, 0.0000503700000000 ] - [ 0.0001586800000000, 0.0001820200000000, -0.0002676700000000 ] - [ 0.0000148000000000, -0.0001022100000000, -0.0002610400000000 ] - [ -0.0003083300000000, -0.0002134000000000, -0.0001186600000000 ] - [ 0.0000266800000000, -0.0003245500000000, 0.0004287100000000 ] - [ -0.0000596900000000, -0.0000503200000000, 0.0000787200000000 ] - [ 0.0002610500000000, 0.0001642700000000, 0.0001032600000000 ] - [ -0.0773936500000000, -0.0015881200000000, -0.0064563000000000 ] - [ -0.0001741100000000, 0.0001209100000000, 0.0002994100000000 ] - [ 0.0008887300000000, 0.0004939500000000, 0.0003544600000000 ] - [ 0.0103482600000000, -0.0001397000000000, 0.0012481400000000 ] - [ 0.0001924500000000, -0.0000504400000000, -0.0001676200000000 ] - [ 0.0004953700000000, 0.0002211600000000, -0.0002599600000000 ] - [ -0.0007149400000000, 0.0002772700000000, 0.0001248000000000 ] - [ 0.0016112400000000, 0.0014873700000000, -0.0011376500000000 ] - [ 0.0004330600000000, -0.0007720100000000, 0.0001268100000000 ] - [ 0.0010598500000000, -0.0001486500000000, -0.0002169000000000 ] - [ -0.0008841900000000, -0.0013373300000000, 0.0004680300000000 ] - [ -0.0002820500000000, 0.0009214300000000, -0.0000308700000000 ] - [ -0.0002603000000000, -0.0003733100000000, 0.0008917900000000 ] - [ -0.0000877000000000, 0.0003400400000000, 0.0000857400000000 ] - [ 0.0019983300000000, -0.0006627100000000, -0.0021688100000000 ] - [ 0.0009006800000000, 0.0009760500000000, -0.0006867300000000 ] - [ 0.0011167100000000, -0.0001839100000000, 0.0000373700000000 ] - [ 0.0000573000000000, -0.0002334500000000, -0.0002371300000000 ] - [ 0.0000026000000000, 0.0000016200000000, -0.0000842200000000 ] - [ 0.0000258200000000, -0.0000281300000000, 0.0000872500000000 ] - [ 0.0000976400000000, -0.0003608700000000, 0.0004668500000000 ] - [ -0.0001512300000000, 0.0001586200000000, 0.0005465400000000 ] - [ 0.0002296300000000, 0.0003303800000000, 0.0007141300000000 ] - [ -0.0000835600000000, 0.0002872300000000, -0.0005941500000000 ] - [ 0.0002883000000000, -0.0000749800000000, -0.0005936700000000 ] - [ -0.0002077500000000, -0.0002154300000000, -0.0005938000000000 ] - [ 0.0002870400000000, -0.0003032600000000, 0.0001126200000000 ] - [ -0.0004189300000000, -0.0001042500000000, 0.0001129700000000 ] - [ 0.0001267000000000, 0.0003976200000000, 0.0001060100000000 ] - [ -0.0002958500000000, 0.0003218400000000, -0.0001469700000000 ] - [ 0.0004271300000000, 0.0001060300000000, -0.0001435700000000 ] - [ -0.0001273300000000, -0.0004139500000000, -0.0001324300000000 ] - [ 0.0000714200000000, 0.0001937700000000, -0.0002976100000000 ] - [ 0.0001303200000000, -0.0001576700000000, -0.0002987400000000 ] - [ -0.0001976600000000, -0.0000270200000000, -0.0003012600000000 ] - [ 0.0000636600000000, 0.0000120300000000, 0.0000653300000000 ] - [ -0.0001983800000000, 0.0002015800000000, 0.0000024900000000 ] - [ 0.0000216400000000, -0.0000147000000000, 0.0003318100000000 ] - [ -0.0000509100000000, -0.0001930700000000, 0.0002418500000000 ] - [ -0.0001227700000000, 0.0001361000000000, 0.0002563200000000 ] - [ 0.0001730800000000, 0.0000718900000000, 0.0002526300000000 ] - [ 0.0000404500000000, 0.0001872400000000, -0.0002963800000000 ] - [ 0.0001442800000000, -0.0001411700000000, -0.0002613400000000 ] - [ -0.0001828500000000, -0.0000504900000000, -0.0002890600000000 ] - [ -0.0008719700000000, 0.0002555200000000, 0.0000782100000000 ] - [ 0.0005972900000000, 0.0005619500000000, 0.0000691400000000 ] - [ 0.0002834100000000, -0.0008993500000000, 0.0001821800000000 ] - [ 0.0008666900000000, -0.0002337700000000, -0.0001172300000000 ] - [ -0.0006362700000000, -0.0006313900000000, -0.0001232700000000 ] - [ -0.0002276200000000, 0.0008673300000000, -0.0001199400000000 ] - [ -0.0000238600000000, -0.0003929400000000, -0.0000170100000000 ] - [ -0.0003254500000000, 0.0002253100000000, -0.0000070600000000 ] - [ 0.0003567600000000, 0.0001809200000000, -0.0000176000000000 ] - [ 0.0000361800000000, 0.0003746300000000, -0.0000037200000000 ] - [ 0.0003486800000000, -0.0002291300000000, 0.0000062600000000 ] - [ -0.0003651800000000, -0.0001663200000000, -0.0000334100000000 ] - [ -0.0000657400000000, -0.0001197800000000, -0.0001212600000000 ] - [ -0.0000015400000000, 0.0000035400000000, 0.0000422200000000 ] - [ 0.0000710100000000, -0.0002679700000000, 0.0005577700000000 ] - [ -0.0002694300000000, 0.0000734100000000, 0.0005602600000000 ] - [ 0.0001966600000000, 0.0001935300000000, 0.0005551200000000 ] - [ -0.0000625700000000, 0.0002910000000000, -0.0006034400000000 ] - [ 0.0004090900000000, -0.0000129500000000, -0.0004851500000000 ] - [ -0.0004109200000000, -0.0002157500000000, -0.0007127600000000 ] - [ 0.0002996300000000, -0.0003106200000000, 0.0001137100000000 ] - [ -0.0003932300000000, -0.0000751100000000, 0.0000983900000000 ] - [ 0.0001087000000000, 0.0004182400000000, 0.0001131300000000 ] - [ -0.0003081500000000, 0.0003283100000000, -0.0001379700000000 ] - [ 0.0004317300000000, 0.0001061900000000, -0.0001406900000000 ] - [ -0.0001139600000000, -0.0004267800000000, -0.0001189300000000 ] - [ 0.0001859400000000, 0.0002750300000000, -0.0003401600000000 ] - [ 0.0003870900000000, -0.0001442800000000, -0.0003160000000000 ] - [ -0.0003206900000000, 0.0000082600000000, -0.0004044200000000 ] - [ -0.0000681900000000, -0.0001970500000000, 0.0002649100000000 ] - [ -0.0001370400000000, 0.0001582300000000, 0.0002624100000000 ] - [ 0.0002025600000000, 0.0000339700000000, 0.0002657100000000 ] - [ -0.0000587800000000, -0.0002106800000000, 0.0002422500000000 ] - [ -0.0001713000000000, 0.0001387700000000, 0.0002901100000000 ] - [ 0.0002086100000000, 0.0000490000000000, 0.0002492500000000 ] - [ 0.0000853000000000, 0.0002084900000000, -0.0002976700000000 ] - [ 0.0001498700000000, -0.0001689700000000, -0.0002728400000000 ] - [ -0.0002197000000000, -0.0000465700000000, -0.0002965900000000 ] - [ -0.0008381600000000, 0.0002389900000000, 0.0000895200000000 ] - [ 0.0006255500000000, 0.0006045700000000, 0.0000896800000000 ] - [ 0.0002113900000000, -0.0008422100000000, 0.0000975600000000 ] - [ 0.0008697100000000, -0.0003163400000000, -0.0001225500000000 ] - [ -0.0006246400000000, -0.0006148800000000, -0.0001677500000000 ] - [ -0.0001831300000000, 0.0007752600000000, 0.0000761200000000 ] - [ -0.0000317200000000, -0.0003953100000000, -0.0000139200000000 ] - [ -0.0002953200000000, 0.0002023300000000, 0.0000707300000000 ] - [ 0.0003345300000000, 0.0001830300000000, -0.0000308600000000 ] - [ 0.0000433100000000, 0.0003667500000000, -0.0000241800000000 ] - [ 0.0002919700000000, -0.0002152700000000, -0.0000239400000000 ] - [ -0.0003392200000000, -0.0001509600000000, -0.0000258800000000 ] - [ -0.0004437200000000, -0.0000920200000000, -0.0001756400000000 ] - [ 0.0010793000000000, -0.0003110700000000, 0.0002337400000000 ] - [ 0.0000273300000000, -0.0001885000000000, -0.0000736100000000 ] - [ -0.0000866100000000, -0.0003090000000000, 0.0004614100000000 ] - [ -0.0000462700000000, 0.0001663900000000, -0.0000884800000000 ] - [ 0.0000660300000000, -0.0000201200000000, 0.0000552300000000 ] - [ 0.0003396900000000, 0.0002298500000000, -0.0002416200000000 ] - [ -0.0011073300000000, -0.0000455300000000, -0.0000102200000000 ] - [ 0.0032449200000000, -0.0038331500000000, -0.0017395700000000 ] - [ 0.0004209000000000, 0.0001165000000000, -0.0006832900000000 ] - [ -0.0015456800000000, -0.0002516100000000, 0.0011355400000000 ] - [ -0.0011662200000000, 0.0029198700000000, 0.0010248800000000 ] - [ -0.0013541300000000, -0.0002755900000000, -0.0001002400000000 ] - [ -0.0001704800000000, 0.0004527600000000, 0.0001415400000000 ] - [ -0.0001568500000000, -0.0007817700000000, -0.0002913400000000 ] - [ 0.0017338800000000, -0.0003792400000000, 0.0014677000000000 ] - [ 0.0006804200000000, -0.0006518900000000, 0.0000328100000000 ] - [ -0.0009972500000000, 0.0002230600000000, 0.0002869100000000 ] - [ -0.0004394800000000, 0.0000147100000000, -0.0003755300000000 ] - [ 0.0318712000000000, 0.0120838300000000, -0.0161842900000000 ] - [ -0.0007072700000000, 0.0000726500000000, -0.0001116200000000 ] - [ -0.0015479400000000, -0.0009272800000000, -0.0002334600000000 ] - [ 0.0251904300000000, -0.0040431100000000, 0.0229599300000000 ] - [ 0.0002321700000000, -0.0003139800000000, 0.0000015900000000 ] - [ 0.0000350400000000, -0.0002216800000000, -0.0001049200000000 ] - [ 0.0002511400000000, 0.0004569700000000, 0.0001033400000000 ] - [ -0.0003179500000000, 0.0000876000000000, -0.0003053800000000 ] - [ 0.0000176800000000, 0.0000404500000000, 0.0001624000000000 ] - [ 0.0000306100000000, -0.0000325800000000, 0.0001617700000000 ] - [ -0.0000474400000000, -0.0000037600000000, 0.0001636100000000 ] - [ -0.0000106800000000, -0.0003225600000000, -0.0001289900000000 ] - [ -0.0002718400000000, 0.0001381700000000, -0.0001412600000000 ] - [ 0.0002861700000000, 0.0001782600000000, -0.0001157900000000 ] - [ 0.0000023200000000, 0.0003363900000000, 0.0001667400000000 ] - [ 0.0002580600000000, -0.0001467300000000, 0.0001712500000000 ] - [ -0.0002644400000000, -0.0001775300000000, 0.0001803600000000 ] - [ -0.0006095900000000, -0.0001667500000000, -0.0002173600000000 ] - [ 0.0000670800000000, 0.0006641600000000, -0.0002915400000000 ] - [ 0.0004830400000000, -0.0004013400000000, -0.0002429700000000 ] - [ 0.0006298700000000, 0.0002883700000000, 0.0002717500000000 ] - [ -0.0000675500000000, -0.0006855400000000, 0.0002713400000000 ] - [ -0.0005676800000000, 0.0003948800000000, 0.0002674400000000 ] - [ 0.0002141500000000, 0.0002750800000000, -0.0001283600000000 ] - [ 0.0001559200000000, -0.0002736100000000, -0.0000921600000000 ] - [ -0.0004191200000000, 0.0000131800000000, -0.0001564100000000 ] - [ -0.0001886800000000, -0.0003010300000000, 0.0001707600000000 ] - [ -0.0001529100000000, 0.0003099200000000, 0.0001812900000000 ] - [ 0.0003415400000000, -0.0000268000000000, 0.0001688300000000 ] - [ -0.0000207000000000, 0.0000846100000000, -0.0001250500000000 ] - [ 0.0000866200000000, -0.0000255400000000, -0.0001213300000000 ] - [ -0.0000581900000000, -0.0000733700000000, -0.0001268500000000 ] - [ 0.0004727500000000, 0.0002111400000000, 0.0002361700000000 ] - [ -0.0002283100000000, -0.0002551900000000, 0.0000531600000000 ] - [ -0.0004543600000000, 0.0002608600000000, -0.0001560800000000 ] - [ -0.0000337200000000, -0.0003672500000000, -0.0001135900000000 ] - [ -0.0003087500000000, 0.0002695600000000, -0.0001470600000000 ] - [ 0.0003336200000000, 0.0001138300000000, -0.0001042500000000 ] - [ -0.0000588800000000, 0.0004741600000000, 0.0002285300000000 ] - [ 0.0004301300000000, -0.0002292000000000, 0.0002397600000000 ] - [ -0.0004167200000000, -0.0002601500000000, 0.0002297000000000 ] - [ -0.0006206500000000, 0.0000034400000000, -0.0001866400000000 ] - [ 0.0003125400000000, 0.0005281300000000, -0.0001890600000000 ] - [ 0.0003062400000000, -0.0005439800000000, -0.0001879200000000 ] - [ 0.0005927200000000, 0.0001590600000000, 0.0005028800000000 ] - [ -0.0000706300000000, -0.0004950500000000, 0.0003748700000000 ] - [ -0.0004987400000000, 0.0006404200000000, 0.0001022100000000 ] - [ 0.0002080200000000, 0.0002198100000000, -0.0001537400000000 ] - [ 0.0000778600000000, -0.0002846200000000, -0.0001546400000000 ] - [ -0.0002751900000000, 0.0000717700000000, -0.0001758900000000 ] - [ -0.0001809300000000, -0.0001378100000000, 0.0002245800000000 ] - [ -0.0000343300000000, 0.0002657600000000, 0.0002467700000000 ] - [ 0.0001811900000000, -0.0000798800000000, 0.0001500700000000 ]- atom: 33 displacement: [ -0.0100000000000000, -0.0000000000216584, 0.0000000000000000 ] forces: - [ 0.0000091900000000, -0.0002632100000000, -0.0005533900000000 ] - [ -0.0001415700000000, -0.0003516800000000, 0.0006700000000000 ] - [ -0.0002167300000000, -0.0001512500000000, -0.0007720900000000 ] - [ 0.0002783200000000, 0.0004105600000000, 0.0006542200000000 ] - [ -0.0000012400000000, -0.0000007500000000, -0.0005328300000000 ] - [ -0.0000397900000000, 0.0000126300000000, 0.0004857600000000 ] - [ 0.0000380000000000, 0.0000234100000000, -0.0001240500000000 ] - [ 0.0000002200000000, -0.0000037500000000, 0.0001003100000000 ] - [ 0.0000094400000000, 0.0000157900000000, -0.0005504100000000 ] - [ 0.0000009400000000, 0.0000015000000000, 0.0005083500000000 ] - [ 0.0000020700000000, -0.0000037000000000, -0.0001197800000000 ] - [ -0.0000248500000000, 0.0000174700000000, 0.0001132600000000 ] - [ -0.0006084200000000, -0.0007816900000000, 0.0007057400000000 ] - [ -0.0004423000000000, -0.0003339500000000, 0.0003152300000000 ] - [ -0.0000109900000000, -0.0000246200000000, 0.0000255100000000 ] - [ -0.0001668700000000, 0.0001456000000000, 0.0005030600000000 ] - [ 0.0000152100000000, 0.0001553700000000, 0.0005615300000000 ] - [ -0.0002357900000000, 0.0004198800000000, -0.0008601100000000 ] - [ 0.0003345400000000, -0.0000846400000000, -0.0006126200000000 ] - [ -0.0007568700000000, 0.0000969400000000, -0.0000722100000000 ] - [ -0.0004515200000000, 0.0002737700000000, 0.0000663800000000 ] - [ -0.0001308600000000, -0.0000349600000000, -0.0002968400000000 ] - [ -0.0000457600000000, 0.0007891600000000, 0.0002490900000000 ] - [ -0.0034463500000000, 0.0034833800000000, -0.0007713600000000 ] - [ 0.0005804400000000, 0.0006791900000000, -0.0000007600000000 ] - [ -0.0001361800000000, -0.0005180600000000, -0.0003067300000000 ] - [ -0.0000169200000000, 0.0002151100000000, -0.0002951400000000 ] - [ 0.0002593800000000, -0.0002187400000000, -0.0003036800000000 ] - [ -0.0000971200000000, 0.0001494200000000, -0.0004486500000000 ] - [ -0.0001280200000000, -0.0000621000000000, 0.0001504000000000 ] - [ -0.0002249000000000, 0.0003298200000000, 0.0005011300000000 ] - [ 0.0001149900000000, -0.0000698100000000, 0.0004814000000000 ] - [ 0.0757540400000000, 0.0007509700000000, 0.0069754100000000 ] - [ -0.0001099500000000, 0.0002240000000000, 0.0002422000000000 ] - [ -0.0004604700000000, -0.0004251300000000, 0.0001875700000000 ] - [ -0.0100403400000000, 0.0005824300000000, -0.0017526600000000 ] - [ 0.0001217900000000, -0.0002625700000000, -0.0003678100000000 ] - [ -0.0009200900000000, -0.0003428700000000, -0.0002762500000000 ] - [ -0.0010135700000000, 0.0002126700000000, 0.0000839000000000 ] - [ -0.0003253000000000, -0.0002417500000000, 0.0013350500000000 ] - [ 0.0000060900000000, -0.0009626900000000, 0.0000843400000000 ] - [ 0.0006175200000000, -0.0003333400000000, -0.0000069400000000 ] - [ -0.0003782500000000, 0.0001305000000000, -0.0007030800000000 ] - [ -0.0001409500000000, 0.0007655000000000, -0.0001929500000000 ] - [ 0.0001946300000000, -0.0003561400000000, -0.0008734000000000 ] - [ -0.0005143200000000, 0.0000781700000000, -0.0000756100000000 ] - [ -0.0013473200000000, 0.0009852500000000, 0.0022123100000000 ] - [ -0.0008684700000000, -0.0002310400000000, 0.0006675500000000 ] - [ -0.0004854800000000, -0.0002349300000000, -0.0000607700000000 ] - [ -0.0007387900000000, -0.0001056300000000, 0.0002087900000000 ] - [ -0.0000021600000000, -0.0000014100000000, -0.0000611100000000 ] - [ -0.0000267800000000, 0.0000271500000000, 0.0000574400000000 ] - [ 0.0000565000000000, -0.0002061000000000, 0.0006944400000000 ] - [ -0.0004158800000000, -0.0000082300000000, 0.0006153200000000 ] - [ 0.0001815900000000, 0.0000865100000000, 0.0004418800000000 ] - [ -0.0000721600000000, 0.0002797700000000, -0.0005677000000000 ] - [ 0.0002780100000000, -0.0000755100000000, -0.0005677700000000 ] - [ -0.0002054300000000, -0.0002030700000000, -0.0005654800000000 ] - [ 0.0003014000000000, -0.0003143100000000, 0.0001377300000000 ] - [ -0.0004079800000000, -0.0000939100000000, 0.0001380800000000 ] - [ 0.0001140300000000, 0.0004196700000000, 0.0001426200000000 ] - [ -0.0002932400000000, 0.0002957800000000, -0.0001036600000000 ] - [ 0.0003997400000000, 0.0000923300000000, -0.0001083300000000 ] - [ -0.0001138700000000, -0.0004040200000000, -0.0001169100000000 ] - [ 0.0000707800000000, 0.0001853200000000, -0.0002714100000000 ] - [ 0.0001267600000000, -0.0001525800000000, -0.0002710400000000 ] - [ -0.0001925700000000, -0.0000280100000000, -0.0002720700000000 ] - [ -0.0002072000000000, -0.0003948300000000, 0.0005066000000000 ] - [ -0.0000576000000000, 0.0001093000000000, 0.0005684400000000 ] - [ 0.0003695500000000, 0.0000713800000000, 0.0002416100000000 ] - [ -0.0000463400000000, -0.0001872700000000, 0.0002930900000000 ] - [ -0.0001579900000000, 0.0001351700000000, 0.0002806100000000 ] - [ 0.0001979300000000, 0.0000385000000000, 0.0002833300000000 ] - [ 0.0000566000000000, 0.0001932200000000, -0.0002390400000000 ] - [ 0.0001357900000000, -0.0001300300000000, -0.0002760500000000 ] - [ -0.0001883200000000, -0.0000598300000000, -0.0002478400000000 ] - [ -0.0008562500000000, 0.0002164800000000, 0.0001297600000000 ] - [ 0.0006725300000000, 0.0006929000000000, 0.0001392200000000 ] - [ 0.0001722800000000, -0.0008259200000000, 0.0000266200000000 ] - [ 0.0008612500000000, -0.0002389300000000, -0.0000912500000000 ] - [ -0.0006334000000000, -0.0006234100000000, -0.0000854600000000 ] - [ -0.0002284400000000, 0.0008577500000000, -0.0000890300000000 ] - [ -0.0000437900000000, -0.0003916500000000, 0.0000250500000000 ] - [ -0.0003220400000000, 0.0002246900000000, 0.0000152200000000 ] - [ 0.0003622400000000, 0.0001573600000000, 0.0000276200000000 ] - [ 0.0000312500000000, 0.0004100400000000, -0.0000045400000000 ] - [ 0.0002986100000000, -0.0002213400000000, -0.0000144000000000 ] - [ -0.0003540700000000, -0.0001716800000000, 0.0000224400000000 ] - [ 0.0000695200000000, 0.0001192800000000, -0.0000257200000000 ] - [ 0.0000004700000000, -0.0000038500000000, 0.0000723400000000 ] - [ 0.0000794800000000, -0.0002744300000000, 0.0005982300000000 ] - [ -0.0002745300000000, 0.0000684500000000, 0.0005952800000000 ] - [ 0.0001966700000000, 0.0002087100000000, 0.0005976500000000 ] - [ -0.0000948900000000, 0.0002803800000000, -0.0005510000000000 ] - [ 0.0001610400000000, -0.0001396000000000, -0.0006709200000000 ] - [ -0.0000045600000000, -0.0002046700000000, -0.0004398800000000 ] - [ 0.0002939100000000, -0.0003071400000000, 0.0001435300000000 ] - [ -0.0004379800000000, -0.0001269100000000, 0.0001598100000000 ] - [ 0.0001311400000000, 0.0004039500000000, 0.0001418300000000 ] - [ -0.0003061500000000, 0.0003025700000000, -0.0001032700000000 ] - [ 0.0004209200000000, 0.0001084200000000, -0.0001016700000000 ] - [ -0.0001256000000000, -0.0004224600000000, -0.0001206900000000 ] - [ -0.0000858100000000, 0.0001131800000000, -0.0002392700000000 ] - [ -0.0001034900000000, -0.0001343300000000, -0.0002634700000000 ] - [ -0.0000560100000000, -0.0001032400000000, -0.0001766600000000 ] - [ -0.0000742300000000, -0.0002006800000000, 0.0002979200000000 ] - [ -0.0001363700000000, 0.0001613000000000, 0.0003001500000000 ] - [ 0.0002037400000000, 0.0000307400000000, 0.0003002800000000 ] - [ -0.0000541500000000, -0.0002221700000000, 0.0002904600000000 ] - [ -0.0001463200000000, 0.0001722400000000, 0.0002450800000000 ] - [ 0.0002156600000000, 0.0000743800000000, 0.0002865400000000 ] - [ 0.0000733400000000, 0.0002122500000000, -0.0002403100000000 ] - [ 0.0001335500000000, -0.0001757800000000, -0.0002680100000000 ] - [ -0.0002182100000000, -0.0000291600000000, -0.0002441000000000 ] - [ -0.0008408300000000, 0.0002433100000000, 0.0001343700000000 ] - [ 0.0006294300000000, 0.0006031500000000, 0.0001342700000000 ] - [ 0.0002110600000000, -0.0008467200000000, 0.0001270500000000 ] - [ 0.0008582500000000, -0.0001731000000000, -0.0000869900000000 ] - [ -0.0006587900000000, -0.0006320300000000, -0.0000404100000000 ] - [ -0.0002599500000000, 0.0009596000000000, -0.0002888700000000 ] - [ -0.0000179500000000, -0.0003558800000000, 0.0000358400000000 ] - [ -0.0003373100000000, 0.0002169800000000, -0.0000481800000000 ] - [ 0.0003469900000000, 0.0001559800000000, 0.0000549600000000 ] - [ 0.0000215500000000, 0.0003615700000000, 0.0000129500000000 ] - [ 0.0003093100000000, -0.0002053000000000, 0.0000123800000000 ] - [ -0.0003301200000000, -0.0001625100000000, 0.0000129800000000 ] - [ -0.0000158100000000, 0.0001529900000000, 0.0000072400000000 ] - [ -0.0008135200000000, 0.0006631200000000, -0.0003994000000000 ] - [ 0.0001522400000000, -0.0002191000000000, -0.0000951400000000 ] - [ 0.0001314400000000, 0.0001538700000000, -0.0001627800000000 ] - [ -0.0001133900000000, -0.0001275200000000, 0.0003877600000000 ] - [ 0.0000486500000000, 0.0001635900000000, 0.0002435800000000 ] - [ -0.0002670200000000, -0.0012035300000000, -0.0001799700000000 ] - [ 0.0002386400000000, 0.0004939400000000, -0.0004045300000000 ] - [ -0.0024158700000000, 0.0044382000000000, 0.0013346600000000 ] - [ -0.0002744300000000, 0.0006453500000000, 0.0009611900000000 ] - [ 0.0021215900000000, -0.0002228800000000, -0.0008551900000000 ] - [ 0.0004584700000000, -0.0031521200000000, -0.0007328600000000 ] - [ 0.0000885500000000, -0.0000583700000000, -0.0004410900000000 ] - [ 0.0005296800000000, 0.0008166700000000, -0.0006922300000000 ] - [ 0.0010829300000000, -0.0001585400000000, -0.0002494700000000 ] - [ -0.0005018400000000, 0.0003657500000000, -0.0010467300000000 ] - [ -0.0013140900000000, -0.0004144300000000, 0.0003932100000000 ] - [ 0.0003906100000000, 0.0008666800000000, 0.0001377400000000 ] - [ 0.0008355500000000, 0.0003062600000000, 0.0000054300000000 ] - [ -0.0308719800000000, -0.0120923500000000, 0.0150829100000000 ] - [ 0.0002357800000000, 0.0001089600000000, -0.0002602500000000 ] - [ 0.0011320700000000, 0.0005014900000000, 0.0006143700000000 ] - [ -0.0248953400000000, 0.0044251500000000, -0.0218464000000000 ] - [ 0.0003328200000000, 0.0001690300000000, 0.0003808000000000 ] - [ -0.0000759600000000, 0.0001482400000000, -0.0001796000000000 ] - [ -0.0003047900000000, -0.0003845800000000, -0.0003859600000000 ] - [ 0.0004080400000000, -0.0000901900000000, 0.0000200700000000 ] - [ 0.0000236100000000, 0.0000366900000000, 0.0001248800000000 ] - [ 0.0000219100000000, -0.0000401700000000, 0.0001203400000000 ] - [ -0.0000428800000000, 0.0000060800000000, 0.0001216600000000 ] - [ 0.0000133300000000, -0.0003185800000000, -0.0001756200000000 ] - [ -0.0002813400000000, 0.0001668500000000, -0.0001626100000000 ] - [ 0.0002549100000000, 0.0001731000000000, -0.0001900500000000 ] - [ -0.0000050200000000, 0.0003045400000000, 0.0001386500000000 ] - [ 0.0002946700000000, -0.0001571900000000, 0.0001329900000000 ] - [ -0.0002778000000000, -0.0001738100000000, 0.0001263100000000 ] - [ -0.0006472100000000, -0.0004194100000000, -0.0002751400000000 ] - [ 0.0000565300000000, 0.0007027700000000, -0.0002047800000000 ] - [ 0.0006499100000000, -0.0003915600000000, -0.0002508300000000 ] - [ 0.0006255300000000, 0.0002974300000000, 0.0002232400000000 ] - [ -0.0000560700000000, -0.0006808500000000, 0.0002258500000000 ] - [ -0.0005648700000000, 0.0003990300000000, 0.0002263000000000 ] - [ 0.0001663500000000, 0.0003019900000000, -0.0001662800000000 ] - [ 0.0001508600000000, -0.0003439600000000, -0.0002031800000000 ] - [ -0.0002710300000000, 0.0000272400000000, -0.0001396300000000 ] - [ -0.0001921700000000, -0.0002755400000000, 0.0001252100000000 ] - [ -0.0001541400000000, 0.0003074600000000, 0.0001150900000000 ] - [ 0.0003488200000000, -0.0000133600000000, 0.0001277400000000 ] - [ -0.0000235900000000, 0.0000696500000000, -0.0001747200000000 ] - [ 0.0000780400000000, -0.0000202700000000, -0.0001737200000000 ] - [ -0.0000559300000000, -0.0000665900000000, -0.0001705200000000 ] - [ -0.0000144400000000, -0.0002716700000000, -0.0000678400000000 ] - [ -0.0000419000000000, -0.0000939200000000, 0.0001123500000000 ] - [ 0.0002800600000000, 0.0001457000000000, 0.0003259100000000 ] - [ -0.0001028800000000, -0.0003862300000000, -0.0001692300000000 ] - [ -0.0002675100000000, 0.0002017900000000, -0.0001346900000000 ] - [ 0.0003736500000000, 0.0001379200000000, -0.0001818800000000 ] - [ -0.0000135600000000, 0.0004997000000000, 0.0001878400000000 ] - [ 0.0004342700000000, -0.0002128900000000, 0.0001769800000000 ] - [ -0.0004058900000000, -0.0002631700000000, 0.0001881300000000 ] - [ -0.0006224300000000, 0.0000082900000000, -0.0002378000000000 ] - [ 0.0003151100000000, 0.0005387100000000, -0.0002368000000000 ] - [ 0.0003064700000000, -0.0005432000000000, -0.0002359500000000 ] - [ 0.0006765600000000, 0.0001743200000000, 0.0000387100000000 ] - [ -0.0002795000000000, -0.0007775700000000, 0.0001665200000000 ] - [ -0.0004274300000000, 0.0002991000000000, 0.0004397300000000 ] - [ 0.0002096400000000, 0.0002087900000000, -0.0002275100000000 ] - [ 0.0000773800000000, -0.0002701100000000, -0.0002288900000000 ] - [ -0.0002894000000000, 0.0000754100000000, -0.0002079700000000 ] - [ -0.0002190400000000, -0.0001838200000000, 0.0001471900000000 ] - [ -0.0000418600000000, 0.0002385100000000, 0.0001262500000000 ] - [ 0.0002927000000000, -0.0001000900000000, 0.0002235100000000 ]- atom: 33 displacement: [ -0.0050000000088145, 0.0086602540327554, 0.0000000000000000 ] forces: - [ 0.0004474200000000, -0.0005065600000000, -0.0007529000000000 ] - [ 0.0000061300000000, -0.0004557300000000, 0.0006904200000000 ] - [ -0.0000330300000000, 0.0003992900000000, 0.0001851400000000 ] - [ 0.0001738900000000, 0.0003123600000000, 0.0004424500000000 ] - [ -0.0000009500000000, 0.0000004200000000, -0.0005212700000000 ] - [ -0.0000449700000000, 0.0000155200000000, 0.0005184800000000 ] - [ 0.0000177000000000, 0.0000228100000000, -0.0001216900000000 ] - [ 0.0000010200000000, -0.0000035900000000, 0.0001120900000000 ] - [ -0.0000124600000000, 0.0000239700000000, -0.0005318100000000 ] - [ 0.0000003100000000, 0.0000028000000000, 0.0005219400000000 ] - [ 0.0000021400000000, -0.0000021700000000, -0.0001096400000000 ] - [ -0.0000335500000000, -0.0000003700000000, 0.0001107100000000 ] - [ 0.0005993200000000, -0.0002156100000000, 0.0000426400000000 ] - [ -0.0001268800000000, -0.0003448900000000, 0.0001107700000000 ] - [ 0.0000697600000000, -0.0002601700000000, 0.0002739800000000 ] - [ -0.0001068900000000, 0.0003326700000000, 0.0005208600000000 ] - [ 0.0001362800000000, 0.0002600500000000, 0.0005840600000000 ] - [ -0.0002618400000000, 0.0003510200000000, -0.0008595100000000 ] - [ 0.0004503000000000, 0.0000610600000000, -0.0004756300000000 ] - [ -0.0006541100000000, 0.0001015500000000, -0.0001268700000000 ] - [ -0.0002031800000000, 0.0000571900000000, 0.0000944200000000 ] - [ -0.0003974900000000, 0.0033403900000000, 0.0007670300000000 ] - [ -0.0001212200000000, 0.0010896700000000, 0.0003981100000000 ] - [ -0.0043325000000000, 0.0038075400000000, -0.0003596700000000 ] - [ 0.0000960000000000, 0.0007681700000000, 0.0001548800000000 ] - [ -0.0000494000000000, -0.0000198500000000, -0.0002582600000000 ] - [ -0.0000001000000000, 0.0002468200000000, -0.0002768600000000 ] - [ 0.0002076300000000, -0.0001892600000000, -0.0002590400000000 ] - [ -0.0000186700000000, 0.0002559600000000, -0.0006380600000000 ] - [ -0.0000904100000000, -0.0001346000000000, 0.0001895300000000 ] - [ -0.0002656900000000, 0.0003770800000000, 0.0005058700000000 ] - [ 0.0001855600000000, 0.0001285800000000, 0.0001066200000000 ] - [ 0.0374012200000000, -0.0484823800000000, 0.0045033300000000 ] - [ 0.0001686500000000, 0.0008373200000000, 0.0004251400000000 ] - [ -0.0000629500000000, -0.0001613600000000, 0.0002356800000000 ] - [ -0.0053465600000000, -0.0012331900000000, -0.0017515500000000 ] - [ 0.0006742700000000, 0.0002348700000000, -0.0003666300000000 ] - [ -0.0007654500000000, -0.0003394200000000, -0.0001847000000000 ] - [ -0.0009322200000000, 0.0001433900000000, 0.0000565900000000 ] - [ -0.0010227700000000, -0.0001648300000000, 0.0020029500000000 ] - [ 0.0003288100000000, -0.0006606400000000, -0.0000541100000000 ] - [ 0.0007690100000000, -0.0003575200000000, 0.0000028000000000 ] - [ -0.0004412700000000, -0.0002356700000000, 0.0000240000000000 ] - [ 0.0000181100000000, 0.0009764200000000, -0.0002424500000000 ] - [ -0.0011276100000000, 0.0013721200000000, -0.0021281800000000 ] - [ -0.0001838600000000, 0.0003590600000000, 0.0002100500000000 ] - [ -0.0007556800000000, 0.0005255900000000, 0.0013270700000000 ] - [ 0.0019926900000000, 0.0015034200000000, -0.0017541700000000 ] - [ -0.0005755400000000, -0.0000955800000000, 0.0000953800000000 ] - [ -0.0006365600000000, -0.0002578300000000, 0.0000923900000000 ] - [ -0.0000007700000000, -0.0000023100000000, -0.0000749300000000 ] - [ -0.0000822100000000, 0.0000682600000000, 0.0000424000000000 ] - [ 0.0001531500000000, -0.0001841700000000, 0.0006884200000000 ] - [ -0.0004035800000000, 0.0000115300000000, 0.0005862900000000 ] - [ 0.0002261400000000, 0.0000683400000000, 0.0005444300000000 ] - [ -0.0000780000000000, 0.0002842000000000, -0.0005849200000000 ] - [ 0.0002839400000000, -0.0000738400000000, -0.0005848900000000 ] - [ -0.0002070300000000, -0.0002091100000000, -0.0005830700000000 ] - [ 0.0002953800000000, -0.0003150600000000, 0.0001313300000000 ] - [ -0.0004029100000000, -0.0000965700000000, 0.0001201700000000 ] - [ 0.0001145500000000, 0.0004165400000000, 0.0001263200000000 ] - [ -0.0002948600000000, 0.0003041200000000, -0.0001221200000000 ] - [ 0.0004060000000000, 0.0000973100000000, -0.0001310600000000 ] - [ -0.0001124200000000, -0.0004197600000000, -0.0001391200000000 ] - [ 0.0000725800000000, 0.0001872300000000, -0.0002873600000000 ] - [ 0.0001283500000000, -0.0001547900000000, -0.0002869100000000 ] - [ -0.0001949900000000, -0.0000269600000000, -0.0002877200000000 ] - [ -0.0000524500000000, -0.0001455100000000, 0.0003439000000000 ] - [ -0.0000728100000000, 0.0000480800000000, 0.0004674900000000 ] - [ 0.0003342200000000, -0.0000407700000000, 0.0000992500000000 ] - [ -0.0000426000000000, -0.0001833500000000, 0.0002720300000000 ] - [ -0.0001560700000000, 0.0001303700000000, 0.0002586800000000 ] - [ 0.0001915700000000, 0.0000442800000000, 0.0002704000000000 ] - [ 0.0000500300000000, 0.0001955700000000, -0.0002599700000000 ] - [ 0.0001402300000000, -0.0001293800000000, -0.0002907100000000 ] - [ -0.0001898600000000, -0.0000527000000000, -0.0002598700000000 ] - [ -0.0008638000000000, 0.0002342500000000, 0.0001392300000000 ] - [ 0.0006414000000000, 0.0007232400000000, 0.0000890200000000 ] - [ 0.0001653800000000, -0.0008261200000000, 0.0000154400000000 ] - [ 0.0008627700000000, -0.0002381800000000, -0.0001070500000000 ] - [ -0.0006344900000000, -0.0006251200000000, -0.0001043000000000 ] - [ -0.0002287300000000, 0.0008600000000000, -0.0001078400000000 ] - [ -0.0000351200000000, -0.0003923200000000, 0.0000055100000000 ] - [ -0.0003257600000000, 0.0002175700000000, -0.0000032200000000 ] - [ 0.0003599600000000, 0.0001676800000000, 0.0000080700000000 ] - [ 0.0000418200000000, 0.0004020200000000, -0.0000402300000000 ] - [ 0.0003051200000000, -0.0002196700000000, -0.0000140600000000 ] - [ -0.0003592700000000, -0.0001778700000000, 0.0000485900000000 ] - [ -0.0000117100000000, 0.0001402400000000, -0.0000766000000000 ] - [ 0.0000011300000000, -0.0000027900000000, 0.0000583500000000 ] - [ 0.0000741400000000, -0.0002706700000000, 0.0005796700000000 ] - [ -0.0002707900000000, 0.0000708800000000, 0.0005783300000000 ] - [ 0.0001964000000000, 0.0002032100000000, 0.0005792300000000 ] - [ -0.0000462100000000, 0.0003245400000000, -0.0006001600000000 ] - [ 0.0002121600000000, -0.0001206700000000, -0.0006534200000000 ] - [ -0.0000207800000000, -0.0001830000000000, -0.0003882900000000 ] - [ 0.0002990200000000, -0.0003036300000000, 0.0001279600000000 ] - [ -0.0004293000000000, -0.0001153400000000, 0.0001394000000000 ] - [ 0.0001281200000000, 0.0003907700000000, 0.0001146600000000 ] - [ -0.0003082300000000, 0.0003055000000000, -0.0001124300000000 ] - [ 0.0004293700000000, 0.0001067500000000, -0.0001246200000000 ] - [ -0.0001240200000000, -0.0004282000000000, -0.0001345500000000 ] - [ -0.0000041200000000, 0.0001901900000000, -0.0002891900000000 ] - [ -0.0002047600000000, -0.0001642100000000, -0.0002793800000000 ] - [ -0.0000650500000000, -0.0002666800000000, -0.0003479900000000 ] - [ -0.0000722900000000, -0.0001990700000000, 0.0002810200000000 ] - [ -0.0001349200000000, 0.0001592000000000, 0.0002826800000000 ] - [ 0.0002018100000000, 0.0000309900000000, 0.0002834000000000 ] - [ -0.0000579100000000, -0.0002139100000000, 0.0002695500000000 ] - [ -0.0001522700000000, 0.0001614900000000, 0.0002489100000000 ] - [ 0.0002104800000000, 0.0000810300000000, 0.0002740600000000 ] - [ 0.0000747200000000, 0.0002164700000000, -0.0002655800000000 ] - [ 0.0001370400000000, -0.0001785300000000, -0.0002803800000000 ] - [ -0.0002224000000000, -0.0000301100000000, -0.0002584200000000 ] - [ -0.0008386000000000, 0.0002437400000000, 0.0001168600000000 ] - [ 0.0006271400000000, 0.0006017800000000, 0.0001131300000000 ] - [ 0.0002103800000000, -0.0008438600000000, 0.0001099600000000 ] - [ 0.0008505000000000, -0.0001715800000000, -0.0000699200000000 ] - [ -0.0006721100000000, -0.0005789700000000, -0.0000972000000000 ] - [ -0.0002377800000000, 0.0008851200000000, -0.0002100700000000 ] - [ -0.0000093700000000, -0.0003734900000000, -0.0000159200000000 ] - [ -0.0003385800000000, 0.0002139900000000, -0.0000615500000000 ] - [ 0.0003369300000000, 0.0001639600000000, 0.0000465000000000 ] - [ 0.0000285700000000, 0.0003621600000000, -0.0000031700000000 ] - [ 0.0003024300000000, -0.0002132600000000, -0.0000078100000000 ] - [ -0.0003326100000000, -0.0001530900000000, -0.0000067900000000 ] - [ -0.0000023200000000, 0.0001306900000000, 0.0001017200000000 ] - [ -0.0006163100000000, 0.0008830700000000, -0.0005868200000000 ] - [ -0.0000834100000000, -0.0003163800000000, 0.0000306700000000 ] - [ 0.0000974600000000, 0.0001234500000000, -0.0000957400000000 ] - [ -0.0002109500000000, 0.0001913200000000, 0.0003591500000000 ] - [ -0.0001049500000000, -0.0001080100000000, 0.0001862800000000 ] - [ -0.0002301500000000, -0.0022560300000000, -0.0007342200000000 ] - [ -0.0000020100000000, -0.0001031000000000, -0.0005184900000000 ] - [ -0.0075279500000000, 0.0306615800000000, 0.0083781700000000 ] - [ -0.0013606600000000, -0.0004273900000000, 0.0014085700000000 ] - [ 0.0022759900000000, -0.0004204900000000, -0.0013421700000000 ] - [ 0.0009068900000000, -0.0015730900000000, -0.0002376800000000 ] - [ 0.0004616600000000, 0.0002345600000000, -0.0001746500000000 ] - [ -0.0007441900000000, 0.0009176500000000, 0.0003806300000000 ] - [ 0.0008042100000000, -0.0002748800000000, -0.0001527600000000 ] - [ -0.0002045600000000, 0.0005688000000000, -0.0004714400000000 ] - [ -0.0017470900000000, -0.0007085500000000, 0.0011039600000000 ] - [ -0.0003901100000000, 0.0003794500000000, 0.0000643300000000 ] - [ 0.0006355700000000, 0.0004745500000000, -0.0001375600000000 ] - [ -0.0035685100000000, 0.0031345900000000, -0.0000839900000000 ] - [ 0.0000504400000000, -0.0003753000000000, -0.0006238300000000 ] - [ 0.0005592200000000, 0.0004735800000000, 0.0004776200000000 ] - [ -0.0140432000000000, 0.0058988200000000, -0.0113585600000000 ] - [ -0.0000692600000000, -0.0001670100000000, 0.0004352400000000 ] - [ -0.0000475800000000, 0.0001552400000000, -0.0002947700000000 ] - [ -0.0004063000000000, -0.0004455100000000, -0.0003062800000000 ] - [ 0.0003939600000000, -0.0001444900000000, 0.0000438400000000 ] - [ 0.0000220600000000, 0.0000397300000000, 0.0001476100000000 ] - [ 0.0000265900000000, -0.0000399500000000, 0.0001435800000000 ] - [ -0.0000451300000000, 0.0000027200000000, 0.0001450300000000 ] - [ 0.0000071600000000, -0.0003184700000000, -0.0001496200000000 ] - [ -0.0002842300000000, 0.0001774000000000, -0.0001436500000000 ] - [ 0.0002551900000000, 0.0001697100000000, -0.0001598100000000 ] - [ 0.0000006100000000, 0.0003194100000000, 0.0001654500000000 ] - [ 0.0002886400000000, -0.0001617400000000, 0.0001559000000000 ] - [ -0.0002523200000000, -0.0001703200000000, 0.0001384800000000 ] - [ -0.0005407700000000, -0.0004289900000000, -0.0003438500000000 ] - [ 0.0001232500000000, 0.0007542700000000, -0.0000727400000000 ] - [ 0.0006048200000000, -0.0004175100000000, -0.0002543200000000 ] - [ 0.0006262300000000, 0.0002957900000000, 0.0002488800000000 ] - [ -0.0000588400000000, -0.0006807500000000, 0.0002507500000000 ] - [ -0.0005656300000000, 0.0004017200000000, 0.0002500000000000 ] - [ 0.0001789100000000, 0.0002942500000000, -0.0001554700000000 ] - [ 0.0001416100000000, -0.0003463900000000, -0.0001614600000000 ] - [ -0.0002822200000000, 0.0000198700000000, -0.0001081600000000 ] - [ -0.0001903700000000, -0.0002845600000000, 0.0001489200000000 ] - [ -0.0001561000000000, 0.0003079700000000, 0.0001467500000000 ] - [ 0.0003472800000000, -0.0000129900000000, 0.0001584400000000 ] - [ -0.0000259800000000, 0.0000729400000000, -0.0001513200000000 ] - [ 0.0000836500000000, -0.0000216900000000, -0.0001491800000000 ] - [ -0.0000567200000000, -0.0000703700000000, -0.0001478100000000 ] - [ 0.0000021200000000, -0.0003096700000000, -0.0000991100000000 ] - [ -0.0001895200000000, -0.0003061700000000, 0.0001590400000000 ] - [ -0.0000059000000000, 0.0002549100000000, 0.0001581700000000 ] - [ -0.0000812000000000, -0.0003642400000000, -0.0001338300000000 ] - [ -0.0002744600000000, 0.0002033300000000, -0.0001166900000000 ] - [ 0.0003804400000000, 0.0001289700000000, -0.0001649800000000 ] - [ -0.0000212900000000, 0.0005069700000000, 0.0002073600000000 ] - [ 0.0004304800000000, -0.0002033900000000, 0.0002040200000000 ] - [ -0.0004141800000000, -0.0002642900000000, 0.0002160800000000 ] - [ -0.0006215100000000, 0.0000058400000000, -0.0002124800000000 ] - [ 0.0003140500000000, 0.0005371800000000, -0.0002130400000000 ] - [ 0.0003054700000000, -0.0005396900000000, -0.0002127700000000 ] - [ 0.0007492400000000, 0.0001265500000000, 0.0000367200000000 ] - [ -0.0001873100000000, -0.0006009000000000, 0.0003865000000000 ] - [ -0.0004140300000000, 0.0002967700000000, 0.0003995900000000 ] - [ 0.0002117600000000, 0.0002006200000000, -0.0002000700000000 ] - [ 0.0000778700000000, -0.0002743500000000, -0.0001937400000000 ] - [ -0.0002864000000000, 0.0000760500000000, -0.0001842800000000 ] - [ -0.0001956700000000, -0.0001931700000000, 0.0001583800000000 ] - [ -0.0000453800000000, 0.0002299300000000, 0.0001832000000000 ] - [ 0.0002479700000000, -0.0000942800000000, 0.0002281400000000 ]- atom: 33 displacement: [ 0.0050000000088145, -0.0086602540327554, 0.0000000000000000 ] forces: - [ -0.0004455100000000, 0.0005056400000000, -0.0002952200000000 ] - [ -0.0000062900000000, 0.0004575700000000, 0.0003569600000000 ] - [ 0.0000322600000000, -0.0003890900000000, -0.0004095200000000 ] - [ -0.0001764400000000, -0.0003120200000000, -0.0002170000000000 ] - [ 0.0000016400000000, -0.0000012200000000, -0.0005274400000000 ] - [ 0.0000442100000000, -0.0000149000000000, 0.0005301300000000 ] - [ -0.0000169800000000, -0.0000211700000000, -0.0001047100000000 ] - [ -0.0000018100000000, 0.0000019500000000, 0.0001146500000000 ] - [ 0.0000118300000000, -0.0000255100000000, -0.0005149600000000 ] - [ -0.0000027300000000, -0.0000012400000000, 0.0005251200000000 ] - [ -0.0000000500000000, 0.0000021600000000, -0.0001164100000000 ] - [ 0.0000313100000000, -0.0000013000000000, 0.0001192200000000 ] - [ -0.0005981600000000, 0.0002147600000000, -0.0001535300000000 ] - [ 0.0001204400000000, 0.0003443600000000, 0.0000374200000000 ] - [ 0.0000892000000000, -0.0003118400000000, 0.0008733800000000 ] - [ -0.0004649500000000, -0.0001800800000000, 0.0006338600000000 ] - [ 0.0002805700000000, 0.0001596500000000, 0.0005668100000000 ] - [ 0.0001097600000000, 0.0001931300000000, -0.0002961200000000 ] - [ 0.0000943000000000, -0.0002033500000000, -0.0006783800000000 ] - [ 0.0002638000000000, -0.0005057900000000, -0.0010297800000000 ] - [ 0.0008148600000000, -0.0006874500000000, 0.0001458400000000 ] - [ -0.0004521600000000, -0.0035261900000000, -0.0005124800000000 ] - [ 0.0003614300000000, -0.0002421400000000, -0.0001606600000000 ] - [ 0.0036881300000000, -0.0031429900000000, 0.0000769700000000 ] - [ 0.0007402600000000, -0.0005693800000000, -0.0004135300000000 ] - [ -0.0001914800000000, -0.0008060000000000, 0.0000016400000000 ] - [ 0.0001421100000000, 0.0001513100000000, -0.0002852400000000 ] - [ 0.0000656600000000, -0.0001310300000000, -0.0003043200000000 ] - [ -0.0003876400000000, -0.0003216400000000, 0.0000729400000000 ] - [ -0.0000104800000000, -0.0002535400000000, 0.0003896000000000 ] - [ -0.0000191600000000, -0.0000966800000000, 0.0000740100000000 ] - [ 0.0001907200000000, -0.0000332700000000, 0.0004761600000000 ] - [ -0.0371492300000000, 0.0464838800000000, -0.0048446000000000 ] - [ -0.0004549900000000, -0.0005024200000000, 0.0001151700000000 ] - [ 0.0004953400000000, 0.0002361300000000, 0.0003058900000000 ] - [ 0.0054714600000000, 0.0016940900000000, 0.0012235300000000 ] - [ -0.0003592300000000, -0.0005486400000000, -0.0001694200000000 ] - [ 0.0003400400000000, 0.0002155100000000, -0.0003510800000000 ] - [ -0.0007970400000000, 0.0003456100000000, 0.0001510600000000 ] - [ 0.0022972300000000, 0.0014039100000000, -0.0017992200000000 ] - [ 0.0001129800000000, -0.0010728800000000, 0.0002623700000000 ] - [ 0.0009089500000000, -0.0001223000000000, -0.0002261500000000 ] - [ -0.0008145500000000, -0.0009681900000000, -0.0002531700000000 ] - [ -0.0004418900000000, 0.0007104400000000, 0.0000194300000000 ] - [ 0.0010775900000000, -0.0021372700000000, 0.0021677700000000 ] - [ -0.0004179600000000, 0.0000606900000000, -0.0001976500000000 ] - [ 0.0014057600000000, -0.0002008900000000, -0.0012976200000000 ] - [ -0.0019398600000000, -0.0007505400000000, 0.0017251900000000 ] - [ 0.0012054800000000, -0.0003229700000000, -0.0001205200000000 ] - [ -0.0000465600000000, -0.0000798800000000, -0.0001174000000000 ] - [ 0.0000013400000000, 0.0000024900000000, -0.0000695200000000 ] - [ 0.0000817600000000, -0.0000688800000000, 0.0001021600000000 ] - [ 0.0000021000000000, -0.0003844800000000, 0.0004717000000000 ] - [ -0.0001638700000000, 0.0001397600000000, 0.0005738300000000 ] - [ 0.0001868400000000, 0.0003497200000000, 0.0006124100000000 ] - [ -0.0000778100000000, 0.0002835600000000, -0.0005753500000000 ] - [ 0.0002831200000000, -0.0000770500000000, -0.0005750100000000 ] - [ -0.0002066900000000, -0.0002099400000000, -0.0005747700000000 ] - [ 0.0002934500000000, -0.0003032500000000, 0.0001182900000000 ] - [ -0.0004248500000000, -0.0001016000000000, 0.0001302900000000 ] - [ 0.0001268200000000, 0.0004013700000000, 0.0001214600000000 ] - [ -0.0002941400000000, 0.0003141400000000, -0.0001274000000000 ] - [ 0.0004214400000000, 0.0001007200000000, -0.0001195800000000 ] - [ -0.0001291700000000, -0.0003984500000000, -0.0001088100000000 ] - [ 0.0000694800000000, 0.0001920000000000, -0.0002807400000000 ] - [ 0.0001291400000000, -0.0001555000000000, -0.0002818700000000 ] - [ -0.0001952200000000, -0.0000281800000000, -0.0002847300000000 ] - [ -0.0000902100000000, -0.0002355100000000, 0.0002259500000000 ] - [ -0.0001847000000000, 0.0002631600000000, 0.0001012000000000 ] - [ 0.0000569100000000, 0.0000970400000000, 0.0004749900000000 ] - [ -0.0000537100000000, -0.0001968400000000, 0.0002635100000000 ] - [ -0.0001247300000000, 0.0001400100000000, 0.0002788400000000 ] - [ 0.0001787600000000, 0.0000668700000000, 0.0002663100000000 ] - [ 0.0000460700000000, 0.0001846100000000, -0.0002755800000000 ] - [ 0.0001404500000000, -0.0001408200000000, -0.0002467200000000 ] - [ -0.0001805100000000, -0.0000582800000000, -0.0002770000000000 ] - [ -0.0008644800000000, 0.0002377700000000, 0.0000685600000000 ] - [ 0.0006278600000000, 0.0005309700000000, 0.0001192500000000 ] - [ 0.0002908100000000, -0.0008986300000000, 0.0001927800000000 ] - [ 0.0008651700000000, -0.0002341000000000, -0.0001006700000000 ] - [ -0.0006346600000000, -0.0006298700000000, -0.0001036400000000 ] - [ -0.0002275200000000, 0.0008648500000000, -0.0001004100000000 ] - [ -0.0000328200000000, -0.0003921600000000, 0.0000027300000000 ] - [ -0.0003213200000000, 0.0002327700000000, 0.0000116400000000 ] - [ 0.0003591700000000, 0.0001702600000000, 0.0000021800000000 ] - [ 0.0000259700000000, 0.0003823800000000, 0.0000322000000000 ] - [ 0.0003421400000000, -0.0002308400000000, 0.0000059900000000 ] - [ -0.0003599000000000, -0.0001600700000000, -0.0000590400000000 ] - [ 0.0000151600000000, -0.0001406600000000, -0.0000697500000000 ] - [ -0.0000021000000000, 0.0000024700000000, 0.0000557200000000 ] - [ 0.0000767200000000, -0.0002726800000000, 0.0005754100000000 ] - [ -0.0002740700000000, 0.0000711300000000, 0.0005762700000000 ] - [ 0.0001976600000000, 0.0001997500000000, 0.0005724200000000 ] - [ -0.0001110600000000, 0.0002479900000000, -0.0005530700000000 ] - [ 0.0003591100000000, -0.0000320800000000, -0.0005010300000000 ] - [ -0.0003954700000000, -0.0002374500000000, -0.0007625100000000 ] - [ 0.0002950800000000, -0.0003150200000000, 0.0001285700000000 ] - [ -0.0004024700000000, -0.0000864600000000, 0.0001179600000000 ] - [ 0.0001122200000000, 0.0004320600000000, 0.0001394900000000 ] - [ -0.0003059800000000, 0.0003259700000000, -0.0001275800000000 ] - [ 0.0004238000000000, 0.0001074700000000, -0.0001165100000000 ] - [ -0.0001159000000000, -0.0004215000000000, -0.0001037000000000 ] - [ 0.0001043800000000, 0.0001979400000000, -0.0002891200000000 ] - [ 0.0004883100000000, -0.0001144900000000, -0.0002991100000000 ] - [ -0.0003117000000000, 0.0001705700000000, -0.0002333900000000 ] - [ -0.0000700400000000, -0.0001988600000000, 0.0002813900000000 ] - [ -0.0001385400000000, 0.0001604000000000, 0.0002794000000000 ] - [ 0.0002048200000000, 0.0000338400000000, 0.0002821600000000 ] - [ -0.0000540800000000, -0.0002187100000000, 0.0002637400000000 ] - [ -0.0001655200000000, 0.0001485400000000, 0.0002871700000000 ] - [ 0.0002132200000000, 0.0000430000000000, 0.0002623800000000 ] - [ 0.0000830100000000, 0.0002041500000000, -0.0002724300000000 ] - [ 0.0001467300000000, -0.0001652500000000, -0.0002604500000000 ] - [ -0.0002147600000000, -0.0000464200000000, -0.0002822400000000 ] - [ -0.0008403100000000, 0.0002381100000000, 0.0001067800000000 ] - [ 0.0006276100000000, 0.0006060800000000, 0.0001106300000000 ] - [ 0.0002124900000000, -0.0008448600000000, 0.0001144300000000 ] - [ 0.0008774300000000, -0.0003175600000000, -0.0001387100000000 ] - [ -0.0006109000000000, -0.0006678800000000, -0.0001103400000000 ] - [ -0.0002052200000000, 0.0008488000000000, -0.0000009700000000 ] - [ -0.0000406200000000, -0.0003776900000000, 0.0000378700000000 ] - [ -0.0002936300000000, 0.0002055600000000, 0.0000843700000000 ] - [ 0.0003446900000000, 0.0001746400000000, -0.0000221100000000 ] - [ 0.0000365700000000, 0.0003661100000000, -0.0000078000000000 ] - [ 0.0002987000000000, -0.0002074300000000, -0.0000036200000000 ] - [ -0.0003365300000000, -0.0001601200000000, -0.0000060500000000 ] - [ -0.0004563100000000, -0.0000691600000000, -0.0002692700000000 ] - [ 0.0008842700000000, -0.0005303300000000, 0.0004203900000000 ] - [ 0.0002602200000000, -0.0000912600000000, -0.0001975600000000 ] - [ -0.0000529000000000, -0.0002808900000000, 0.0003958300000000 ] - [ 0.0000468900000000, -0.0001485600000000, -0.0000639200000000 ] - [ 0.0002196800000000, 0.0002493000000000, 0.0001101000000000 ] - [ 0.0003044600000000, 0.0012898500000000, 0.0003213400000000 ] - [ -0.0008606600000000, 0.0005502600000000, 0.0001020700000000 ] - [ 0.0079106800000000, -0.0286779500000000, -0.0083124200000000 ] - [ 0.0014967800000000, 0.0011835700000000, -0.0011194300000000 ] - [ -0.0016991300000000, -0.0000514200000000, 0.0016201000000000 ] - [ -0.0016192700000000, 0.0013139400000000, 0.0005222700000000 ] - [ -0.0017249600000000, -0.0005665900000000, -0.0003681400000000 ] - [ 0.0010945000000000, 0.0003546100000000, -0.0009253000000000 ] - [ 0.0001237700000000, -0.0006638900000000, -0.0003878000000000 ] - [ 0.0014467700000000, -0.0005872600000000, 0.0008943300000000 ] - [ 0.0011224700000000, -0.0003558400000000, -0.0006847100000000 ] - [ -0.0002176300000000, 0.0007078900000000, 0.0003573300000000 ] - [ -0.0002337800000000, -0.0001547200000000, -0.0002313200000000 ] - [ 0.0035377400000000, -0.0036489900000000, -0.0002136300000000 ] - [ -0.0005237100000000, 0.0005555600000000, 0.0002532800000000 ] - [ -0.0009776700000000, -0.0009078600000000, -0.0000993100000000 ] - [ 0.0140824500000000, -0.0052769000000000, 0.0120535400000000 ] - [ 0.0006329700000000, 0.0000209200000000, -0.0000516300000000 ] - [ 0.0000074900000000, -0.0002306500000000, 0.0000085300000000 ] - [ 0.0003545100000000, 0.0005214200000000, 0.0000269700000000 ] - [ -0.0003043800000000, 0.0001415400000000, -0.0003283000000000 ] - [ 0.0000191000000000, 0.0000370200000000, 0.0001388100000000 ] - [ 0.0000259400000000, -0.0000325300000000, 0.0001378700000000 ] - [ -0.0000447000000000, -0.0000005500000000, 0.0001393600000000 ] - [ -0.0000050400000000, -0.0003230500000000, -0.0001550500000000 ] - [ -0.0002692700000000, 0.0001277100000000, -0.0001605200000000 ] - [ 0.0002866700000000, 0.0001809700000000, -0.0001460100000000 ] - [ -0.0000029900000000, 0.0003221300000000, 0.0001391900000000 ] - [ 0.0002644700000000, -0.0001427500000000, 0.0001479700000000 ] - [ -0.0002899400000000, -0.0001804800000000, 0.0001675700000000 ] - [ -0.0007149300000000, -0.0001563200000000, -0.0001502000000000 ] - [ 0.0000000700000000, 0.0006115400000000, -0.0004245000000000 ] - [ 0.0005274500000000, -0.0003760500000000, -0.0002393100000000 ] - [ 0.0006289800000000, 0.0002896500000000, 0.0002458500000000 ] - [ -0.0000649800000000, -0.0006853200000000, 0.0002459000000000 ] - [ -0.0005664200000000, 0.0003922900000000, 0.0002431200000000 ] - [ 0.0002014200000000, 0.0002828600000000, -0.0001395800000000 ] - [ 0.0001655800000000, -0.0002706600000000, -0.0001340100000000 ] - [ -0.0004080500000000, 0.0000199800000000, -0.0001880500000000 ] - [ -0.0001900800000000, -0.0002922900000000, 0.0001462800000000 ] - [ -0.0001511800000000, 0.0003092800000000, 0.0001489500000000 ] - [ 0.0003431300000000, -0.0000269800000000, 0.0001376300000000 ] - [ -0.0000182500000000, 0.0000816900000000, -0.0001486000000000 ] - [ 0.0000810200000000, -0.0000245700000000, -0.0001455600000000 ] - [ -0.0000575800000000, -0.0000693300000000, -0.0001492800000000 ] - [ 0.0004557900000000, 0.0002487200000000, 0.0002665600000000 ] - [ -0.0000812100000000, -0.0000439500000000, 0.0000055300000000 ] - [ -0.0001700000000000, 0.0001515900000000, 0.0000093900000000 ] - [ -0.0000558000000000, -0.0003895600000000, -0.0001490400000000 ] - [ -0.0003019300000000, 0.0002686200000000, -0.0001653000000000 ] - [ 0.0003277000000000, 0.0001222100000000, -0.0001214100000000 ] - [ -0.0000511000000000, 0.0004673200000000, 0.0002085800000000 ] - [ 0.0004342400000000, -0.0002391300000000, 0.0002121700000000 ] - [ -0.0004092000000000, -0.0002583700000000, 0.0002014200000000 ] - [ -0.0006214500000000, 0.0000061900000000, -0.0002122100000000 ] - [ 0.0003140700000000, 0.0005295400000000, -0.0002129000000000 ] - [ 0.0003069600000000, -0.0005475800000000, -0.0002113500000000 ] - [ 0.0005201800000000, 0.0002063700000000, 0.0005046200000000 ] - [ -0.0001622400000000, -0.0006704400000000, 0.0001557700000000 ] - [ -0.0005113800000000, 0.0006427000000000, 0.0001415800000000 ] - [ 0.0002055100000000, 0.0002282000000000, -0.0001814100000000 ] - [ 0.0000779500000000, -0.0002802200000000, -0.0001899400000000 ] - [ -0.0002781100000000, 0.0000706200000000, -0.0001999300000000 ] - [ -0.0002037500000000, -0.0001288000000000, 0.0002126000000000 ] - [ -0.0000310200000000, 0.0002740700000000, 0.0001893600000000 ] - [ 0.0002256100000000, -0.0000853500000000, 0.0001446500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000700400000000, -0.0000977200000000, -0.0003859700000000 ] - [ 0.0000305900000000, 0.0001339700000000, 0.0006743200000000 ] - [ 0.0006131300000000, 0.0007067300000000, 0.0013546200000000 ] - [ -0.0001015200000000, -0.0000443400000000, 0.0003755200000000 ] - [ 0.0000024200000000, 0.0000007700000000, -0.0006385600000000 ] - [ 0.0000206300000000, 0.0000164200000000, 0.0004213800000000 ] - [ -0.0000909400000000, -0.0000203900000000, -0.0002310800000000 ] - [ 0.0000004700000000, -0.0000006700000000, 0.0000001500000000 ] - [ 0.0000238200000000, 0.0000122200000000, -0.0006298300000000 ] - [ -0.0000000600000000, 0.0000021000000000, 0.0004044300000000 ] - [ 0.0000002400000000, 0.0000021400000000, -0.0002219700000000 ] - [ -0.0000350000000000, -0.0000252700000000, 0.0000040500000000 ] - [ -0.0010120100000000, -0.0007560600000000, 0.0003450400000000 ] - [ -0.0004977000000000, -0.0001705600000000, 0.0001069900000000 ] - [ 0.0007197200000000, -0.0007315200000000, 0.0012408600000000 ] - [ -0.0003116600000000, 0.0001590400000000, 0.0007058100000000 ] - [ 0.0003264800000000, 0.0001746400000000, 0.0005321700000000 ] - [ 0.0002905400000000, 0.0000110000000000, -0.0003716700000000 ] - [ 0.0004785600000000, 0.0001710800000000, -0.0005873300000000 ] - [ -0.0005775700000000, -0.0000462800000000, -0.0002909600000000 ] - [ 0.0002937200000000, -0.0002352400000000, -0.0002206300000000 ] - [ -0.0000383100000000, 0.0017297700000000, -0.0003368300000000 ] - [ 0.0001468500000000, 0.0001616400000000, -0.0004218400000000 ] - [ 0.0017040300000000, -0.0014030100000000, -0.0005432200000000 ] - [ 0.0004897900000000, 0.0001080800000000, -0.0005790400000000 ] - [ -0.0001057300000000, -0.0006870500000000, -0.0008393100000000 ] - [ 0.0001119300000000, 0.0001699100000000, -0.0002368100000000 ] - [ -0.0000293300000000, 0.0000232300000000, -0.0000446800000000 ] - [ -0.0003296400000000, -0.0001040200000000, -0.0001478500000000 ] - [ 0.0000456500000000, -0.0002633100000000, 0.0003857000000000 ] - [ -0.0003574600000000, 0.0004806800000000, 0.0006668600000000 ] - [ 0.0000829500000000, -0.0001456400000000, 0.0005941400000000 ] - [ -0.0074206800000000, 0.0013225800000000, -0.0573495500000000 ] - [ -0.0001779600000000, 0.0000952200000000, -0.0002823100000000 ] - [ 0.0000373100000000, -0.0000332900000000, -0.0002827000000000 ] - [ 0.0015485900000000, -0.0006316300000000, -0.0008003400000000 ] - [ 0.0002416100000000, -0.0002147900000000, -0.0007898300000000 ] - [ -0.0002144600000000, 0.0000532300000000, -0.0007906200000000 ] - [ -0.0009644100000000, 0.0002896300000000, -0.0001350700000000 ] - [ -0.0024219300000000, -0.0003897400000000, 0.0015233700000000 ] - [ -0.0000366000000000, -0.0010970800000000, 0.0001013400000000 ] - [ 0.0007203000000000, -0.0003030900000000, -0.0003013100000000 ] - [ 0.0014523700000000, -0.0009130100000000, 0.0041735000000000 ] - [ -0.0002151800000000, 0.0007670200000000, -0.0004047400000000 ] - [ 0.0009128400000000, -0.0002944400000000, -0.0000100500000000 ] - [ -0.0003723600000000, 0.0000757600000000, -0.0002929500000000 ] - [ -0.0015300800000000, 0.0011471600000000, 0.0009427100000000 ] - [ -0.0023536400000000, -0.0016299100000000, 0.0008414500000000 ] - [ 0.0005718600000000, -0.0003970000000000, -0.0003812600000000 ] - [ -0.0005316400000000, -0.0000638500000000, -0.0005505600000000 ] - [ 0.0000051900000000, -0.0000024500000000, 0.0000591000000000 ] - [ -0.0000083200000000, 0.0000883200000000, 0.0001924400000000 ] - [ 0.0000621900000000, -0.0002171600000000, 0.0006469300000000 ] - [ -0.0002754000000000, 0.0000270100000000, 0.0006612100000000 ] - [ 0.0005504400000000, 0.0005093700000000, 0.0013530900000000 ] - [ -0.0000327300000000, 0.0002450800000000, -0.0004161200000000 ] - [ 0.0002269700000000, -0.0000970700000000, -0.0004140800000000 ] - [ -0.0001967900000000, -0.0001479000000000, -0.0004128300000000 ] - [ 0.0003267200000000, -0.0003525600000000, 0.0002752200000000 ] - [ -0.0004671000000000, -0.0001245400000000, 0.0002669200000000 ] - [ 0.0001322900000000, 0.0004575900000000, 0.0002536200000000 ] - [ -0.0002541900000000, 0.0002734000000000, 0.0000127100000000 ] - [ 0.0003492600000000, 0.0000766300000000, 0.0000199800000000 ] - [ -0.0000913000000000, -0.0003894500000000, 0.0000013800000000 ] - [ 0.0000559500000000, 0.0001687500000000, -0.0001303200000000 ] - [ 0.0001205400000000, -0.0001314800000000, -0.0001333000000000 ] - [ -0.0001698800000000, -0.0000305400000000, -0.0001344400000000 ] - [ -0.0001232600000000, -0.0002397500000000, 0.0003381800000000 ] - [ -0.0003370000000000, 0.0001076500000000, 0.0002923900000000 ] - [ 0.0001559800000000, -0.0002371900000000, 0.0004111800000000 ] - [ -0.0000728200000000, -0.0002016100000000, 0.0004322600000000 ] - [ -0.0001351800000000, 0.0001542400000000, 0.0004358900000000 ] - [ 0.0001828800000000, 0.0000797800000000, 0.0004678500000000 ] - [ 0.0000199300000000, 0.0001836300000000, -0.0000969200000000 ] - [ 0.0001494600000000, -0.0001171700000000, -0.0000931200000000 ] - [ -0.0001717000000000, -0.0000383800000000, -0.0000927700000000 ] - [ -0.0008819400000000, 0.0003798500000000, 0.0003155600000000 ] - [ 0.0006004900000000, 0.0006333500000000, 0.0002624400000000 ] - [ 0.0002609100000000, -0.0009008100000000, 0.0002709500000000 ] - [ 0.0008401600000000, -0.0002284200000000, 0.0000880000000000 ] - [ -0.0006222100000000, -0.0006119000000000, 0.0000720600000000 ] - [ -0.0002187300000000, 0.0008432700000000, 0.0000718800000000 ] - [ -0.0001008800000000, -0.0003819500000000, 0.0001620900000000 ] - [ -0.0002766100000000, 0.0002774600000000, 0.0001686900000000 ] - [ 0.0003870100000000, 0.0001145100000000, 0.0001644600000000 ] - [ -0.0000194100000000, 0.0003815100000000, 0.0001251600000000 ] - [ 0.0003612900000000, -0.0001640200000000, 0.0001261800000000 ] - [ -0.0003413100000000, -0.0002392600000000, 0.0001590100000000 ] - [ 0.0000235400000000, 0.0000441900000000, 0.0000852100000000 ] - [ 0.0000001400000000, 0.0000014000000000, 0.0001917400000000 ] - [ 0.0001207400000000, -0.0003082400000000, 0.0007490000000000 ] - [ -0.0003304500000000, 0.0000488600000000, 0.0007530500000000 ] - [ 0.0002065700000000, 0.0002604600000000, 0.0007475800000000 ] - [ -0.0000680600000000, 0.0002589100000000, -0.0005377200000000 ] - [ 0.0003354000000000, -0.0000623900000000, -0.0004794800000000 ] - [ -0.0001126400000000, -0.0000213100000000, -0.0002627200000000 ] - [ 0.0003354400000000, -0.0003432600000000, 0.0002621500000000 ] - [ -0.0004685400000000, -0.0001143800000000, 0.0002806700000000 ] - [ 0.0001302000000000, 0.0004603600000000, 0.0002710800000000 ] - [ -0.0002692200000000, 0.0002756800000000, 0.0000234400000000 ] - [ 0.0003657300000000, 0.0000895400000000, 0.0000161400000000 ] - [ -0.0001000900000000, -0.0003796600000000, 0.0000137800000000 ] - [ 0.0000312500000000, 0.0001715200000000, -0.0002695000000000 ] - [ -0.0001961000000000, -0.0000946000000000, -0.0003606800000000 ] - [ -0.0002762500000000, -0.0002039400000000, -0.0000810800000000 ] - [ -0.0000867400000000, -0.0002172300000000, 0.0004378500000000 ] - [ -0.0001431900000000, 0.0001832300000000, 0.0004366700000000 ] - [ 0.0002277200000000, 0.0000258400000000, 0.0004390900000000 ] - [ -0.0000821500000000, -0.0002272900000000, 0.0004310900000000 ] - [ -0.0001575400000000, 0.0001726700000000, 0.0004673900000000 ] - [ 0.0002353800000000, 0.0000607800000000, 0.0004353200000000 ] - [ 0.0000508100000000, 0.0001985800000000, -0.0001002400000000 ] - [ 0.0001545700000000, -0.0001494500000000, -0.0000919000000000 ] - [ -0.0002073400000000, -0.0000338100000000, -0.0000919800000000 ] - [ -0.0008581800000000, 0.0002475700000000, 0.0002958100000000 ] - [ 0.0006391800000000, 0.0006178000000000, 0.0002902400000000 ] - [ 0.0002179000000000, -0.0008608500000000, 0.0002939800000000 ] - [ 0.0008611400000000, -0.0002185400000000, 0.0000598400000000 ] - [ -0.0006760100000000, -0.0006444500000000, 0.0000627300000000 ] - [ -0.0001588600000000, 0.0007736800000000, 0.0001910800000000 ] - [ -0.0000953900000000, -0.0003836900000000, 0.0001713600000000 ] - [ -0.0002593500000000, 0.0002686800000000, 0.0001696300000000 ] - [ 0.0003626200000000, 0.0001025700000000, 0.0001666500000000 ] - [ -0.0000384400000000, 0.0003743600000000, 0.0001561800000000 ] - [ 0.0003459600000000, -0.0001505900000000, 0.0001600300000000 ] - [ -0.0003082500000000, -0.0002154100000000, 0.0001492800000000 ] - [ -0.0000805300000000, -0.0000135500000000, 0.0000790400000000 ] - [ -0.0001931100000000, 0.0004285400000000, -0.0007017500000000 ] - [ 0.0000361700000000, -0.0002508800000000, -0.0002772200000000 ] - [ 0.0001563500000000, 0.0000885700000000, 0.0001592500000000 ] - [ -0.0010058400000000, 0.0014290500000000, -0.0008919900000000 ] - [ -0.0001098800000000, -0.0000485400000000, 0.0001620500000000 ] - [ 0.0001503600000000, -0.0001392100000000, 0.0008452400000000 ] - [ -0.0003902000000000, 0.0001956800000000, 0.0004234500000000 ] - [ -0.0016552600000000, 0.0086718400000000, 0.0067239900000000 ] - [ -0.0003827900000000, 0.0008739500000000, 0.0023502300000000 ] - [ -0.0004079900000000, -0.0003943700000000, 0.0014604300000000 ] - [ -0.0002965600000000, 0.0002385700000000, 0.0008730500000000 ] - [ 0.0010874900000000, 0.0000266700000000, 0.0002503800000000 ] - [ 0.0011883400000000, 0.0005955600000000, -0.0010240100000000 ] - [ 0.0007279000000000, -0.0003174000000000, -0.0002633600000000 ] - [ 0.0019006700000000, 0.0005184500000000, -0.0003390600000000 ] - [ -0.0001253600000000, -0.0002070400000000, 0.0002052200000000 ] - [ 0.0001048700000000, 0.0007583900000000, 0.0002602300000000 ] - [ 0.0002543600000000, 0.0000617200000000, 0.0004993800000000 ] - [ -0.0131546200000000, -0.0064836300000000, 0.0116243800000000 ] - [ -0.0003239500000000, 0.0002140300000000, 0.0005790900000000 ] - [ 0.0006359600000000, 0.0003236600000000, 0.0010962700000000 ] - [ 0.0215001200000000, -0.0029807200000000, 0.0278637700000000 ] - [ 0.0001349300000000, 0.0001270300000000, 0.0009560900000000 ] - [ -0.0002641000000000, -0.0009361800000000, -0.0005079900000000 ] - [ 0.0000053300000000, -0.0000703000000000, -0.0002565700000000 ] - [ -0.0001300300000000, 0.0001769700000000, -0.0003848900000000 ] - [ 0.0000399000000000, -0.0000023900000000, -0.0000815300000000 ] - [ -0.0000149900000000, -0.0000350800000000, -0.0000800300000000 ] - [ -0.0000245700000000, 0.0000365300000000, -0.0000779300000000 ] - [ 0.0000042800000000, -0.0003437600000000, -0.0003663300000000 ] - [ -0.0002920500000000, 0.0001830900000000, -0.0003871900000000 ] - [ 0.0003007500000000, 0.0001983400000000, -0.0003504600000000 ] - [ -0.0000074900000000, 0.0003269200000000, -0.0000511600000000 ] - [ 0.0002500400000000, -0.0001673200000000, -0.0000434200000000 ] - [ -0.0002180100000000, -0.0001470300000000, -0.0000835500000000 ] - [ -0.0005471100000000, -0.0002548400000000, -0.0006243800000000 ] - [ 0.0000598300000000, 0.0007149600000000, -0.0003889500000000 ] - [ 0.0005904700000000, -0.0005506700000000, -0.0003518400000000 ] - [ 0.0006184500000000, 0.0003013800000000, 0.0000189800000000 ] - [ -0.0000532600000000, -0.0006770900000000, 0.0000216100000000 ] - [ -0.0005736500000000, 0.0003877400000000, 0.0000144000000000 ] - [ 0.0002113500000000, 0.0002202500000000, -0.0004854800000000 ] - [ 0.0001922300000000, -0.0002909000000000, -0.0003998400000000 ] - [ -0.0003810400000000, -0.0000290600000000, -0.0004150900000000 ] - [ -0.0002080400000000, -0.0003056100000000, -0.0001544700000000 ] - [ -0.0001193400000000, 0.0003269200000000, -0.0001260400000000 ] - [ 0.0003345600000000, -0.0000555200000000, -0.0001284800000000 ] - [ -0.0000069500000000, 0.0000373400000000, -0.0003746100000000 ] - [ 0.0000418000000000, -0.0000209900000000, -0.0003704000000000 ] - [ -0.0000297700000000, -0.0000362500000000, -0.0003742500000000 ] - [ 0.0000289500000000, -0.0003743100000000, -0.0001764400000000 ] - [ 0.0000450700000000, 0.0000113200000000, 0.0000494600000000 ] - [ -0.0005170500000000, 0.0003970700000000, -0.0002485200000000 ] - [ -0.0000551400000000, -0.0003900500000000, -0.0003609900000000 ] - [ -0.0003292000000000, 0.0002489400000000, -0.0003481800000000 ] - [ 0.0003862300000000, 0.0001365800000000, -0.0003615300000000 ] - [ -0.0000324100000000, 0.0004658800000000, -0.0000125300000000 ] - [ 0.0004021400000000, -0.0002164000000000, -0.0000154500000000 ] - [ -0.0003739700000000, -0.0002419400000000, 0.0000094500000000 ] - [ -0.0006290800000000, 0.0000106800000000, -0.0004391000000000 ] - [ 0.0003260200000000, 0.0005378700000000, -0.0004405300000000 ] - [ 0.0003017000000000, -0.0005575900000000, -0.0004444700000000 ] - [ 0.0006902400000000, 0.0002729900000000, -0.0001171700000000 ] - [ -0.0001577200000000, -0.0006287500000000, 0.0000419000000000 ] - [ -0.0005122800000000, 0.0003940200000000, 0.0000772800000000 ] - [ 0.0001818000000000, 0.0002199200000000, -0.0004767300000000 ] - [ 0.0001140200000000, -0.0002627800000000, -0.0004683000000000 ] - [ -0.0002884000000000, 0.0000293200000000, -0.0004807300000000 ] - [ -0.0002196600000000, -0.0001760300000000, -0.0001094700000000 ] - [ 0.0000014600000000, 0.0002880600000000, -0.0000742800000000 ] - [ 0.0001542500000000, -0.0001391000000000, -0.0001192000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000687600000000, 0.0000965800000000, -0.0006550300000000 ] - [ -0.0000297000000000, -0.0001301800000000, 0.0003665800000000 ] - [ -0.0006382800000000, -0.0007383200000000, -0.0016192200000000 ] - [ 0.0000992900000000, 0.0000453500000000, -0.0001527600000000 ] - [ -0.0000017000000000, -0.0000015500000000, -0.0004053400000000 ] - [ -0.0000213700000000, -0.0000155900000000, 0.0006224500000000 ] - [ 0.0000910200000000, 0.0000218800000000, 0.0000094200000000 ] - [ -0.0000012000000000, -0.0000009800000000, 0.0002215300000000 ] - [ -0.0000243500000000, -0.0000140300000000, -0.0004119200000000 ] - [ -0.0000023200000000, -0.0000005800000000, 0.0006378700000000 ] - [ 0.0000018800000000, -0.0000021500000000, 0.0000009600000000 ] - [ 0.0000329900000000, 0.0000235800000000, 0.0002209300000000 ] - [ 0.0010033000000000, 0.0007487900000000, -0.0004541400000000 ] - [ 0.0004933500000000, 0.0001714900000000, 0.0000455000000000 ] - [ -0.0005680800000000, 0.0001645800000000, -0.0000875800000000 ] - [ -0.0002595600000000, -0.0000092600000000, 0.0004544800000000 ] - [ 0.0000874400000000, 0.0002448400000000, 0.0006248500000000 ] - [ -0.0004411300000000, 0.0005304700000000, -0.0007916300000000 ] - [ 0.0000661500000000, -0.0003115500000000, -0.0005745400000000 ] - [ 0.0001844800000000, -0.0003553800000000, -0.0008686600000000 ] - [ 0.0003188200000000, -0.0003899900000000, 0.0004641700000000 ] - [ -0.0008057400000000, -0.0019471200000000, 0.0005788800000000 ] - [ 0.0000902700000000, 0.0006849200000000, 0.0006626200000000 ] - [ -0.0022887800000000, 0.0020042200000000, 0.0002945900000000 ] - [ 0.0003432100000000, 0.0000942900000000, 0.0003197900000000 ] - [ -0.0001319400000000, -0.0001341500000000, 0.0005824100000000 ] - [ 0.0000314100000000, 0.0002257100000000, -0.0003296900000000 ] - [ 0.0002982700000000, -0.0003410300000000, -0.0005204100000000 ] - [ -0.0000747600000000, 0.0000418800000000, -0.0004232200000000 ] - [ -0.0001480300000000, -0.0001223400000000, 0.0001974100000000 ] - [ 0.0000776800000000, -0.0002043900000000, -0.0000867100000000 ] - [ 0.0002923400000000, 0.0002384800000000, -0.0000070100000000 ] - [ 0.0060215400000000, -0.0017238000000000, 0.0573239000000000 ] - [ -0.0001075500000000, 0.0002468200000000, 0.0008237700000000 ] - [ 0.0004039100000000, 0.0001128100000000, 0.0008233300000000 ] - [ -0.0014526700000000, 0.0010710500000000, 0.0002602000000000 ] - [ 0.0000752600000000, -0.0000994400000000, 0.0002542500000000 ] - [ -0.0002110200000000, -0.0001765400000000, 0.0002534600000000 ] - [ -0.0007610000000000, 0.0002021200000000, 0.0003475900000000 ] - [ 0.0037360000000000, 0.0016257400000000, -0.0013419300000000 ] - [ 0.0004768500000000, -0.0006351500000000, 0.0001117000000000 ] - [ 0.0009553900000000, -0.0001799900000000, 0.0000739200000000 ] - [ -0.0026877400000000, -0.0002686400000000, -0.0043202000000000 ] - [ -0.0002050800000000, 0.0009200600000000, 0.0001777600000000 ] - [ -0.0009676000000000, -0.0004360200000000, 0.0000240200000000 ] - [ -0.0002303700000000, 0.0003415700000000, 0.0003037900000000 ] - [ 0.0021750300000000, -0.0008252500000000, -0.0009180700000000 ] - [ 0.0024028900000000, 0.0024038100000000, -0.0008614300000000 ] - [ 0.0000638100000000, -0.0000214700000000, 0.0003582000000000 ] - [ -0.0001471500000000, -0.0002754100000000, 0.0005286100000000 ] - [ -0.0000045200000000, 0.0000025400000000, -0.0002071700000000 ] - [ 0.0000074200000000, -0.0000881500000000, -0.0000444200000000 ] - [ 0.0000925300000000, -0.0003492900000000, 0.0005193700000000 ] - [ -0.0002915500000000, 0.0001227500000000, 0.0005057900000000 ] - [ -0.0001351500000000, -0.0000891500000000, -0.0001815500000000 ] - [ -0.0001229200000000, 0.0003216300000000, -0.0007513000000000 ] - [ 0.0003390600000000, -0.0000532800000000, -0.0007524800000000 ] - [ -0.0002158600000000, -0.0002710800000000, -0.0007518500000000 ] - [ 0.0002623300000000, -0.0002619900000000, -0.0000227500000000 ] - [ -0.0003574900000000, -0.0000759400000000, -0.0000138300000000 ] - [ 0.0001055700000000, 0.0003587700000000, -0.0000030600000000 ] - [ -0.0003352200000000, 0.0003411000000000, -0.0002651000000000 ] - [ 0.0004753200000000, 0.0001237200000000, -0.0002735300000000 ] - [ -0.0001466400000000, -0.0004279900000000, -0.0002525900000000 ] - [ 0.0000875300000000, 0.0002079200000000, -0.0004414400000000 ] - [ 0.0001345400000000, -0.0001786800000000, -0.0004392200000000 ] - [ -0.0002186500000000, -0.0000222300000000, -0.0004418200000000 ] - [ -0.0000202300000000, -0.0001389800000000, 0.0002352600000000 ] - [ 0.0000819200000000, 0.0002023200000000, 0.0002790200000000 ] - [ 0.0002333000000000, 0.0002889900000000, 0.0001649000000000 ] - [ -0.0000242000000000, -0.0001801600000000, 0.0001032400000000 ] - [ -0.0001468300000000, 0.0001174700000000, 0.0001015400000000 ] - [ 0.0001892400000000, 0.0000320700000000, 0.0000688900000000 ] - [ 0.0000768400000000, 0.0001983000000000, -0.0004386300000000 ] - [ 0.0001322500000000, -0.0001544300000000, -0.0004443700000000 ] - [ -0.0002005200000000, -0.0000725400000000, -0.0004440000000000 ] - [ -0.0008435000000000, 0.0000950600000000, -0.0001044500000000 ] - [ 0.0006683100000000, 0.0006185300000000, -0.0000517400000000 ] - [ 0.0001926600000000, -0.0008223600000000, -0.0000603000000000 ] - [ 0.0008851200000000, -0.0002452100000000, -0.0002981800000000 ] - [ -0.0006470700000000, -0.0006398600000000, -0.0002829700000000 ] - [ -0.0002348900000000, 0.0008799900000000, -0.0002828600000000 ] - [ 0.0000348000000000, -0.0004013800000000, -0.0001537700000000 ] - [ -0.0003701700000000, 0.0001705000000000, -0.0001600100000000 ] - [ 0.0003303600000000, 0.0002245900000000, -0.0001542000000000 ] - [ 0.0000854800000000, 0.0004017200000000, -0.0001334300000000 ] - [ 0.0002858100000000, -0.0002841200000000, -0.0001343600000000 ] - [ -0.0003759700000000, -0.0000997200000000, -0.0001695800000000 ] - [ -0.0000203700000000, -0.0000458900000000, -0.0002354500000000 ] - [ -0.0000010800000000, -0.0000017400000000, -0.0000739700000000 ] - [ 0.0000297200000000, -0.0002338900000000, 0.0004128500000000 ] - [ -0.0002130800000000, 0.0000929200000000, 0.0004082200000000 ] - [ 0.0001865200000000, 0.0001423900000000, 0.0004110900000000 ] - [ -0.0000894100000000, 0.0003122100000000, -0.0006218900000000 ] - [ 0.0002352400000000, -0.0000893700000000, -0.0006813400000000 ] - [ -0.0003042300000000, -0.0003984600000000, -0.0008959700000000 ] - [ 0.0002589700000000, -0.0002715100000000, -0.0000029000000000 ] - [ -0.0003601400000000, -0.0000896800000000, -0.0000202800000000 ] - [ 0.0001066300000000, 0.0003607500000000, -0.0000140800000000 ] - [ -0.0003458200000000, 0.0003521500000000, -0.0002663600000000 ] - [ 0.0004847400000000, 0.0001272900000000, -0.0002602200000000 ] - [ -0.0001362100000000, -0.0004684600000000, -0.0002549100000000 ] - [ 0.0000704000000000, 0.0002136200000000, -0.0003120800000000 ] - [ 0.0004806700000000, -0.0001836300000000, -0.0002211100000000 ] - [ -0.0000999100000000, 0.0001111500000000, -0.0005037100000000 ] - [ -0.0000566100000000, -0.0001785700000000, 0.0001283200000000 ] - [ -0.0001279500000000, 0.0001362200000000, 0.0001291200000000 ] - [ 0.0001772800000000, 0.0000365000000000, 0.0001303000000000 ] - [ -0.0000305000000000, -0.0002071000000000, 0.0001021500000000 ] - [ -0.0001616000000000, 0.0001388200000000, 0.0000685600000000 ] - [ 0.0001902400000000, 0.0000634600000000, 0.0001010700000000 ] - [ 0.0001078200000000, 0.0002234500000000, -0.0004378800000000 ] - [ 0.0001305700000000, -0.0001957200000000, -0.0004488700000000 ] - [ -0.0002315200000000, -0.0000428200000000, -0.0004487900000000 ] - [ -0.0008179900000000, 0.0002358300000000, -0.0000694800000000 ] - [ 0.0006157300000000, 0.0005868300000000, -0.0000635000000000 ] - [ 0.0002022000000000, -0.0008264000000000, -0.0000665900000000 ] - [ 0.0008641600000000, -0.0002727700000000, -0.0002717900000000 ] - [ -0.0006066100000000, -0.0005995100000000, -0.0002733000000000 ] - [ -0.0002810400000000, 0.0009588000000000, -0.0004049700000000 ] - [ 0.0000472900000000, -0.0003663500000000, -0.0001492300000000 ] - [ -0.0003726700000000, 0.0001486700000000, -0.0001459400000000 ] - [ 0.0003170200000000, 0.0002371000000000, -0.0001423900000000 ] - [ 0.0001018800000000, 0.0003527100000000, -0.0001673200000000 ] - [ 0.0002553000000000, -0.0002681000000000, -0.0001713600000000 ] - [ -0.0003591100000000, -0.0000989300000000, -0.0001619200000000 ] - [ -0.0003833300000000, 0.0000711800000000, -0.0002527400000000 ] - [ 0.0004695600000000, -0.0000770200000000, 0.0005371200000000 ] - [ 0.0001457200000000, -0.0001569700000000, 0.0001069100000000 ] - [ -0.0001080400000000, -0.0002410200000000, 0.0001450800000000 ] - [ 0.0008328400000000, -0.0013753200000000, 0.0011857400000000 ] - [ 0.0002201900000000, 0.0001909400000000, 0.0001397400000000 ] - [ -0.0000836900000000, -0.0008321400000000, -0.0012668900000000 ] - [ -0.0004712000000000, 0.0002495200000000, -0.0008407100000000 ] - [ 0.0024736600000000, -0.0081115200000000, -0.0071952900000000 ] - [ 0.0005266300000000, -0.0001171900000000, -0.0020725400000000 ] - [ 0.0009741500000000, -0.0000769800000000, -0.0011737600000000 ] - [ -0.0004132800000000, -0.0004973100000000, -0.0005931000000000 ] - [ -0.0023658800000000, -0.0003654900000000, -0.0007994400000000 ] - [ -0.0008390800000000, 0.0006773000000000, 0.0004768700000000 ] - [ 0.0001995900000000, -0.0006222700000000, -0.0002805300000000 ] - [ -0.0006483700000000, -0.0005262300000000, 0.0007677700000000 ] - [ -0.0005029100000000, -0.0008600600000000, 0.0002250700000000 ] - [ -0.0007174800000000, 0.0003281200000000, 0.0001670200000000 ] - [ 0.0001442200000000, 0.0002581400000000, -0.0008730500000000 ] - [ 0.0136254700000000, 0.0061313400000000, -0.0121065000000000 ] - [ -0.0001492000000000, -0.0000312800000000, -0.0009503000000000 ] - [ -0.0010514700000000, -0.0007523700000000, -0.0007112300000000 ] - [ -0.0207928700000000, 0.0033234300000000, -0.0267753300000000 ] - [ 0.0004301100000000, -0.0002716000000000, -0.0005728400000000 ] - [ 0.0002173900000000, 0.0008482000000000, 0.0002135100000000 ] - [ -0.0000590500000000, 0.0001465300000000, -0.0000277600000000 ] - [ 0.0002235200000000, -0.0001809800000000, 0.0000971000000000 ] - [ 0.0000046000000000, 0.0000812900000000, 0.0003712700000000 ] - [ 0.0000680200000000, -0.0000410400000000, 0.0003638700000000 ] - [ -0.0000688900000000, -0.0000325200000000, 0.0003656300000000 ] - [ -0.0000051400000000, -0.0002978600000000, 0.0000613600000000 ] - [ -0.0002599400000000, 0.0001250600000000, 0.0000825400000000 ] - [ 0.0002427400000000, 0.0001496700000000, 0.0000444900000000 ] - [ 0.0000081700000000, 0.0003149500000000, 0.0003564700000000 ] - [ 0.0003015200000000, -0.0001400300000000, 0.0003478800000000 ] - [ -0.0003256300000000, -0.0002009300000000, 0.0003896300000000 ] - [ -0.0007082900000000, -0.0003320000000000, 0.0001274900000000 ] - [ 0.0000630300000000, 0.0006528100000000, -0.0001082100000000 ] - [ 0.0005435800000000, -0.0002437400000000, -0.0001424900000000 ] - [ 0.0006374800000000, 0.0002855000000000, 0.0004764800000000 ] - [ -0.0000697400000000, -0.0006903200000000, 0.0004759100000000 ] - [ -0.0005598600000000, 0.0004062200000000, 0.0004795200000000 ] - [ 0.0001681300000000, 0.0003555700000000, 0.0001879700000000 ] - [ 0.0001153100000000, -0.0003248600000000, 0.0001025600000000 ] - [ -0.0003079600000000, 0.0000679800000000, 0.0001171300000000 ] - [ -0.0001708200000000, -0.0002708700000000, 0.0004514000000000 ] - [ -0.0001880000000000, 0.0002887700000000, 0.0004238700000000 ] - [ 0.0003545700000000, 0.0000164700000000, 0.0004264200000000 ] - [ -0.0000402800000000, 0.0001149700000000, 0.0000715200000000 ] - [ 0.0001225400000000, -0.0000216000000000, 0.0000725500000000 ] - [ -0.0000813600000000, -0.0001050200000000, 0.0000739800000000 ] - [ 0.0004346000000000, 0.0003174700000000, 0.0003505200000000 ] - [ -0.0003160700000000, -0.0003649400000000, 0.0001183700000000 ] - [ 0.0003362400000000, 0.0000116000000000, 0.0004167200000000 ] - [ -0.0000844100000000, -0.0003638100000000, 0.0000777000000000 ] - [ -0.0002459400000000, 0.0002260100000000, 0.0000658500000000 ] - [ 0.0003231000000000, 0.0001120700000000, 0.0000748900000000 ] - [ -0.0000370300000000, 0.0005082200000000, 0.0004284300000000 ] - [ 0.0004611100000000, -0.0002289000000000, 0.0004321400000000 ] - [ -0.0004506800000000, -0.0002783200000000, 0.0004083400000000 ] - [ -0.0006144600000000, 0.0000000700000000, 0.0000136900000000 ] - [ 0.0003013600000000, 0.0005300500000000, 0.0000139500000000 ] - [ 0.0003120200000000, -0.0005295600000000, 0.0000194500000000 ] - [ 0.0005789100000000, 0.0000615100000000, 0.0006628500000000 ] - [ -0.0001903500000000, -0.0006438700000000, 0.0005013900000000 ] - [ -0.0004149700000000, 0.0005466800000000, 0.0004645000000000 ] - [ 0.0002341100000000, 0.0002082200000000, 0.0000934200000000 ] - [ 0.0000418500000000, -0.0002903400000000, 0.0000827300000000 ] - [ -0.0002748100000000, 0.0001165700000000, 0.0000946900000000 ] - [ -0.0001782400000000, -0.0001451200000000, 0.0004824300000000 ] - [ -0.0000777600000000, 0.0002145100000000, 0.0004488900000000 ] - [ 0.0003182400000000, -0.0000396800000000, 0.0004934000000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000216584, 0.0000000000000000 ] forces: - [ 0.0000218100000000, -0.0000228200000000, -0.0005099500000000 ] - [ 0.0000046100000000, -0.0001369800000000, 0.0003535200000000 ] - [ -0.0004504600000000, 0.0002293400000000, -0.0001847000000000 ] - [ -0.0000300500000000, 0.0000216200000000, 0.0001994100000000 ] - [ 0.0000003900000000, -0.0000000500000000, -0.0005136300000000 ] - [ -0.0000027500000000, -0.0000009200000000, 0.0005368500000000 ] - [ 0.0000004000000000, -0.0000006000000000, -0.0001027900000000 ] - [ -0.0000005000000000, -0.0000018700000000, 0.0001284300000000 ] - [ 0.0000001100000000, 0.0001021300000000, -0.0006938900000000 ] - [ 0.0000033000000000, 0.0000033600000000, 0.0005363800000000 ] - [ 0.0000068400000000, -0.0000057000000000, -0.0001034200000000 ] - [ -0.0001868000000000, 0.0001955000000000, 0.0001780400000000 ] - [ 0.0001542100000000, -0.0000392900000000, 0.0000067900000000 ] - [ 0.0059609200000000, -0.0021954400000000, 0.0005290500000000 ] - [ 0.0018607700000000, -0.0005872000000000, 0.0002427400000000 ] - [ -0.0002663700000000, 0.0000305000000000, 0.0007043100000000 ] - [ -0.0001869900000000, -0.0018616200000000, -0.0007629400000000 ] - [ -0.0001043700000000, 0.0002911100000000, -0.0006172200000000 ] - [ 0.0002956100000000, -0.0001114000000000, -0.0005604400000000 ] - [ -0.0002179400000000, -0.0002173600000000, -0.0006512800000000 ] - [ 0.0000871500000000, -0.0002514100000000, -0.0000208300000000 ] - [ -0.0001857400000000, -0.0000806100000000, 0.0002173700000000 ] - [ 0.0001345100000000, 0.0004317100000000, 0.0000939500000000 ] - [ 0.0010573800000000, 0.0013723400000000, 0.0012634900000000 ] - [ 0.0006644400000000, 0.0002552900000000, -0.0004937300000000 ] - [ -0.0001322100000000, -0.0005741400000000, -0.0002618400000000 ] - [ 0.0000661700000000, 0.0002047700000000, -0.0003023700000000 ] - [ 0.0001426100000000, -0.0001695700000000, -0.0003024000000000 ] - [ -0.0002065500000000, -0.0000365100000000, -0.0003171700000000 ] - [ 0.0006073700000000, 0.0018999900000000, -0.0010483600000000 ] - [ -0.0001147500000000, 0.0003405700000000, 0.0004104100000000 ] - [ 0.0000720400000000, -0.0003887800000000, 0.0000636600000000 ] - [ 0.0000713600000000, -0.0002028500000000, 0.0001678100000000 ] - [ -0.0000180000000000, 0.0001267800000000, 0.0001984500000000 ] - [ -0.0000598000000000, -0.0015424800000000, 0.0026815900000000 ] - [ 0.0002755200000000, 0.0002627700000000, -0.0003837200000000 ] - [ 0.0001608500000000, -0.0002725200000000, -0.0003320600000000 ] - [ -0.0005618200000000, 0.0006161600000000, -0.0010242000000000 ] - [ -0.0602164200000000, 0.0081759000000000, 0.0083810600000000 ] - [ 0.0012169800000000, 0.0006568100000000, 0.0002843900000000 ] - [ 0.0002307700000000, -0.0012259600000000, 0.0003026700000000 ] - [ 0.0007336200000000, -0.0001345800000000, 0.0000247900000000 ] - [ -0.0005650700000000, -0.0005897600000000, -0.0001754700000000 ] - [ -0.0001861500000000, 0.0008087500000000, -0.0001567000000000 ] - [ 0.0000737500000000, -0.0003448500000000, -0.0001035800000000 ] - [ -0.0002810700000000, 0.0000079700000000, 0.0001513900000000 ] - [ 0.0003336300000000, 0.0002505700000000, 0.0000057700000000 ] - [ 0.0009356200000000, 0.0000472200000000, -0.0004290900000000 ] - [ 0.0003570000000000, -0.0005898100000000, -0.0000743600000000 ] - [ 0.0013279000000000, 0.0017054900000000, -0.0017451500000000 ] - [ -0.0000013900000000, 0.0000012600000000, -0.0000859500000000 ] - [ -0.0000062700000000, 0.0000012000000000, 0.0000525800000000 ] - [ 0.0000932300000000, -0.0002834500000000, 0.0005566000000000 ] - [ -0.0002935700000000, 0.0000911800000000, 0.0005756900000000 ] - [ 0.0002029100000000, 0.0001879100000000, 0.0005566500000000 ] - [ -0.0000843400000000, 0.0002952800000000, -0.0006045000000000 ] - [ 0.0002888300000000, -0.0000733600000000, -0.0005939200000000 ] - [ -0.0002080900000000, -0.0002152400000000, -0.0005937300000000 ] - [ 0.0002902000000000, -0.0003062700000000, 0.0001083800000000 ] - [ -0.0004089900000000, -0.0000971400000000, 0.0001079400000000 ] - [ 0.0001208800000000, 0.0004033500000000, 0.0001061500000000 ] - [ -0.0002962700000000, 0.0003149200000000, -0.0001388500000000 ] - [ 0.0004215400000000, 0.0001005400000000, -0.0001412700000000 ] - [ -0.0001233600000000, -0.0004159400000000, -0.0001386600000000 ] - [ 0.0000764600000000, 0.0001901000000000, -0.0002999300000000 ] - [ 0.0001318800000000, -0.0001611100000000, -0.0002987600000000 ] - [ -0.0001997700000000, -0.0000323900000000, -0.0002996300000000 ] - [ -0.0000643100000000, -0.0001910200000000, 0.0002885400000000 ] - [ -0.0001332800000000, 0.0001685200000000, 0.0002807900000000 ] - [ 0.0002360600000000, 0.0000205500000000, 0.0002798500000000 ] - [ -0.0000453700000000, -0.0001886000000000, 0.0002474200000000 ] - [ -0.0001405300000000, 0.0001313800000000, 0.0002497000000000 ] - [ 0.0001822700000000, 0.0000559500000000, 0.0002489200000000 ] - [ 0.0000493700000000, 0.0001906600000000, -0.0002903900000000 ] - [ 0.0001394500000000, -0.0001376000000000, -0.0002888000000000 ] - [ -0.0001869700000000, -0.0000532800000000, -0.0002868600000000 ] - [ -0.0008656200000000, 0.0002353200000000, 0.0000838500000000 ] - [ 0.0006311100000000, 0.0006213300000000, 0.0000680300000000 ] - [ 0.0002228100000000, -0.0008621400000000, 0.0000796300000000 ] - [ 0.0008684600000000, -0.0002355000000000, -0.0001233800000000 ] - [ -0.0006370900000000, -0.0006292000000000, -0.0001234600000000 ] - [ -0.0002307500000000, 0.0008640300000000, -0.0001231000000000 ] - [ -0.0000263400000000, -0.0003939500000000, -0.0000151100000000 ] - [ -0.0003280200000000, 0.0002199400000000, -0.0000131000000000 ] - [ 0.0003575900000000, 0.0001755100000000, -0.0000123100000000 ] - [ 0.0000445900000000, 0.0003898800000000, -0.0000270300000000 ] - [ 0.0003174400000000, -0.0002325000000000, -0.0000252800000000 ] - [ -0.0003653300000000, -0.0001607600000000, -0.0000244400000000 ] - [ 0.0001331500000000, 0.0002771300000000, -0.0002143900000000 ] - [ 0.0000048500000000, -0.0000219000000000, 0.0000406500000000 ] - [ 0.0000666100000000, -0.0002691400000000, 0.0005565100000000 ] - [ -0.0002592400000000, 0.0000759900000000, 0.0005524500000000 ] - [ 0.0001935200000000, 0.0002023200000000, 0.0005598600000000 ] - [ 0.0002210200000000, 0.0000016400000000, -0.0006099100000000 ] - [ 0.0015305900000000, -0.0003751400000000, -0.0037170000000000 ] - [ -0.0000874000000000, -0.0001793500000000, -0.0004274600000000 ] - [ 0.0002972900000000, -0.0003055300000000, 0.0001373000000000 ] - [ -0.0004756200000000, -0.0001605400000000, 0.0001855100000000 ] - [ 0.0001474300000000, 0.0003950900000000, 0.0001416100000000 ] - [ -0.0003362000000000, 0.0002955300000000, -0.0001111400000000 ] - [ 0.0004420500000000, 0.0000991900000000, -0.0001269500000000 ] - [ -0.0001485000000000, -0.0004213200000000, -0.0001620300000000 ] - [ 0.0001652400000000, -0.0003612200000000, -0.0010722600000000 ] - [ 0.0012706700000000, 0.0010945500000000, 0.0018318500000000 ] - [ 0.0003006700000000, -0.0000763800000000, -0.0000382200000000 ] - [ -0.0000686300000000, -0.0002014000000000, 0.0002618800000000 ] - [ -0.0001348700000000, 0.0001572300000000, 0.0002636300000000 ] - [ 0.0001972400000000, 0.0000330400000000, 0.0002608600000000 ] - [ -0.0000621800000000, -0.0002206400000000, 0.0002475000000000 ] - [ -0.0000968300000000, 0.0001867700000000, 0.0002169500000000 ] - [ 0.0002220700000000, 0.0001568900000000, 0.0002786300000000 ] - [ 0.0000834000000000, 0.0001983800000000, -0.0002704400000000 ] - [ 0.0001666700000000, -0.0000698300000000, -0.0003812700000000 ] - [ -0.0001791900000000, -0.0000354900000000, -0.0002336100000000 ] - [ -0.0008410800000000, 0.0002388400000000, 0.0000979100000000 ] - [ 0.0006273600000000, 0.0006007200000000, 0.0000943100000000 ] - [ 0.0002201800000000, -0.0008312600000000, 0.0000406900000000 ] - [ 0.0008101500000000, -0.0001581200000000, -0.0000389300000000 ] - [ -0.0006398200000000, -0.0005533900000000, -0.0001402400000000 ] - [ 0.0000529600000000, 0.0009543300000000, -0.0003406600000000 ] - [ 0.0000295400000000, -0.0003682200000000, -0.0000375800000000 ] - [ -0.0003757800000000, 0.0002627500000000, -0.0000500300000000 ] - [ 0.0003717900000000, 0.0002671500000000, 0.0000772300000000 ] - [ 0.0000313000000000, 0.0003564100000000, -0.0000187500000000 ] - [ 0.0003326800000000, -0.0002139900000000, -0.0000188000000000 ] - [ -0.0003266500000000, -0.0001553000000000, -0.0000029500000000 ] - [ 0.0051139900000000, 0.0077951200000000, 0.0084117500000000 ] - [ -0.0003446800000000, 0.0003432300000000, 0.0000350600000000 ] - [ -0.0000942800000000, 0.0002488700000000, -0.0001724600000000 ] - [ 0.0000081600000000, -0.0001632800000000, 0.0001420300000000 ] - [ -0.0000918300000000, 0.0000213200000000, 0.0001949600000000 ] - [ 0.0000122700000000, 0.0000575700000000, 0.0001665600000000 ] - [ -0.0001186300000000, -0.0005566500000000, 0.0000520600000000 ] - [ 0.0005787900000000, 0.0008355500000000, -0.0001406900000000 ] - [ 0.0004373200000000, 0.0005109900000000, 0.0000546600000000 ] - [ -0.0000795000000000, 0.0007115000000000, 0.0004921800000000 ] - [ 0.0001974700000000, -0.0003038300000000, 0.0001137000000000 ] - [ -0.0008255500000000, -0.0000488500000000, 0.0011028000000000 ] - [ -0.0017327600000000, -0.0013743500000000, -0.0009298900000000 ] - [ -0.0011647000000000, 0.0021429500000000, -0.0019081300000000 ] - [ 0.0276127900000000, -0.0262378700000000, 0.0063819900000000 ] - [ 0.0005621100000000, -0.0000853300000000, 0.0002016700000000 ] - [ -0.0004734100000000, -0.0004432100000000, 0.0002597900000000 ] - [ -0.0002984100000000, 0.0005206100000000, 0.0000929700000000 ] - [ 0.0153388200000000, 0.0110802600000000, -0.0197456000000000 ] - [ -0.0005904900000000, -0.0006541000000000, 0.0000207400000000 ] - [ -0.0002408800000000, 0.0003611300000000, -0.0000115000000000 ] - [ 0.0003094700000000, -0.0011836600000000, -0.0003189100000000 ] - [ -0.0003089000000000, 0.0002408600000000, 0.0003629700000000 ] - [ 0.0001583400000000, 0.0001182200000000, 0.0003475000000000 ] - [ 0.0000086700000000, -0.0000217700000000, -0.0001305400000000 ] - [ -0.0000407900000000, 0.0000618000000000, -0.0000882200000000 ] - [ 0.0000907000000000, -0.0000036400000000, -0.0001152400000000 ] - [ 0.0000116900000000, 0.0000388600000000, 0.0001683400000000 ] - [ 0.0000385900000000, -0.0000477900000000, 0.0001672700000000 ] - [ -0.0000434200000000, -0.0000020700000000, 0.0001621300000000 ] - [ 0.0000011200000000, -0.0003156300000000, -0.0001273100000000 ] - [ -0.0002739800000000, 0.0001498200000000, -0.0001281800000000 ] - [ 0.0002656800000000, 0.0001752400000000, -0.0001286900000000 ] - [ -0.0000032500000000, 0.0003266200000000, 0.0001777800000000 ] - [ 0.0002803300000000, -0.0001534600000000, 0.0001758500000000 ] - [ -0.0002721300000000, -0.0001803500000000, 0.0001779300000000 ] - [ -0.0006195100000000, -0.0003023400000000, -0.0002202200000000 ] - [ 0.0000596700000000, 0.0006950500000000, -0.0002057200000000 ] - [ 0.0005759700000000, -0.0003970900000000, -0.0002213500000000 ] - [ 0.0006303500000000, 0.0002901300000000, 0.0002707700000000 ] - [ -0.0000637600000000, -0.0006807300000000, 0.0002770200000000 ] - [ -0.0005654800000000, 0.0003990800000000, 0.0002697500000000 ] - [ 0.0001958100000000, 0.0002882300000000, -0.0001155900000000 ] - [ 0.0001460900000000, -0.0003061300000000, -0.0001099400000000 ] - [ -0.0003419500000000, 0.0000267700000000, -0.0001145500000000 ] - [ -0.0001878900000000, -0.0002923600000000, 0.0001780100000000 ] - [ -0.0001564700000000, 0.0003066000000000, 0.0001801500000000 ] - [ 0.0003469600000000, -0.0000154000000000, 0.0001780000000000 ] - [ -0.0000226100000000, 0.0000801700000000, -0.0001269000000000 ] - [ 0.0000877100000000, -0.0000232100000000, -0.0001243300000000 ] - [ -0.0000822300000000, -0.0000749600000000, -0.0001076400000000 ] - [ 0.0001625500000000, -0.0000959600000000, -0.0001202400000000 ] - [ -0.0003182900000000, 0.0003557900000000, 0.0011993100000000 ] - [ -0.0008472200000000, -0.0004171900000000, -0.0007544500000000 ] - [ -0.0001266300000000, -0.0003339600000000, -0.0001325100000000 ] - [ -0.0002108200000000, 0.0001426900000000, -0.0000202500000000 ] - [ 0.0004786100000000, 0.0001878200000000, -0.0002127600000000 ] - [ 0.0000699200000000, 0.0005146100000000, 0.0002644100000000 ] - [ 0.0004388900000000, -0.0001988200000000, 0.0001678400000000 ] - [ -0.0004493800000000, -0.0002583100000000, 0.0002260800000000 ] - [ -0.0006248700000000, 0.0000243400000000, -0.0001915200000000 ] - [ 0.0003194600000000, 0.0005566500000000, -0.0001791200000000 ] - [ 0.0003007300000000, -0.0005375400000000, -0.0001850400000000 ] - [ 0.0007893400000000, -0.0004583400000000, -0.0000035500000000 ] - [ -0.0004376900000000, -0.0006876800000000, 0.0004571700000000 ] - [ 0.0000178400000000, 0.0003730800000000, 0.0006593100000000 ] - [ 0.0002268800000000, 0.0002028500000000, -0.0001976400000000 ] - [ 0.0000629000000000, -0.0002679200000000, -0.0001690900000000 ] - [ -0.0003732300000000, 0.0000097200000000, -0.0000828800000000 ] - [ -0.0003062100000000, -0.0002580100000000, 0.0001331600000000 ] - [ -0.0001276100000000, 0.0002538500000000, 0.0001892200000000 ] - [ 0.0001237300000000, -0.0003828200000000, 0.0004617700000000 ]- atom: 39 displacement: [ -0.0100000000000000, -0.0000000000216584, 0.0000000000000000 ] forces: - [ -0.0000189500000000, 0.0000208800000000, -0.0005364800000000 ] - [ -0.0000037500000000, 0.0001380800000000, 0.0006902100000000 ] - [ 0.0004466900000000, -0.0002227600000000, -0.0000463000000000 ] - [ 0.0000266800000000, -0.0000215400000000, 0.0000270100000000 ] - [ 0.0000003000000000, -0.0000007700000000, -0.0005341900000000 ] - [ 0.0000016800000000, 0.0000017000000000, 0.0005114000000000 ] - [ 0.0000001900000000, 0.0000022000000000, -0.0001234300000000 ] - [ -0.0000002900000000, 0.0000001800000000, 0.0000982700000000 ] - [ -0.0000016700000000, -0.0001053400000000, -0.0003530600000000 ] - [ -0.0000056900000000, -0.0000019200000000, 0.0005101900000000 ] - [ -0.0000047600000000, 0.0000055800000000, -0.0001222200000000 ] - [ 0.0001838000000000, -0.0001956100000000, 0.0000513900000000 ] - [ -0.0001542800000000, 0.0000394300000000, -0.0001224300000000 ] - [ -0.0060578400000000, 0.0022179100000000, -0.0003655500000000 ] - [ -0.0016729300000000, 0.0000110100000000, 0.0009067900000000 ] - [ -0.0003059700000000, 0.0001196300000000, 0.0004516600000000 ] - [ 0.0005987200000000, 0.0023032200000000, 0.0019264900000000 ] - [ -0.0000466300000000, 0.0002512800000000, -0.0005386000000000 ] - [ 0.0002489600000000, -0.0000297100000000, -0.0005951000000000 ] - [ -0.0001764500000000, -0.0001849600000000, -0.0005026400000000 ] - [ 0.0005266800000000, -0.0003793200000000, 0.0002619100000000 ] - [ -0.0006636500000000, -0.0001317400000000, 0.0000286200000000 ] - [ 0.0001045500000000, 0.0004157600000000, 0.0001433000000000 ] - [ -0.0016376500000000, -0.0007375400000000, -0.0015014200000000 ] - [ 0.0001652500000000, -0.0000553400000000, 0.0002347900000000 ] - [ -0.0001076900000000, -0.0002471100000000, 0.0000063700000000 ] - [ 0.0000761900000000, 0.0001931000000000, -0.0002607600000000 ] - [ 0.0001302400000000, -0.0001499800000000, -0.0002604400000000 ] - [ -0.0002001500000000, -0.0000283900000000, -0.0002492200000000 ] - [ -0.0007051600000000, -0.0022583700000000, 0.0016049000000000 ] - [ -0.0001686000000000, -0.0000594200000000, 0.0001696000000000 ] - [ 0.0003059200000000, 0.0004845700000000, 0.0005181200000000 ] - [ -0.0002310000000000, -0.0002189100000000, 0.0003708400000000 ] - [ -0.0002647300000000, 0.0002177200000000, 0.0003412500000000 ] - [ 0.0004946800000000, 0.0016205600000000, -0.0021430300000000 ] - [ -0.0001628400000000, 0.0001684500000000, -0.0001482600000000 ] - [ 0.0001585900000000, -0.0000381000000000, -0.0002042200000000 ] - [ 0.0001399400000000, -0.0007342300000000, 0.0004879400000000 ] - [ 0.0587982100000000, -0.0084409000000000, -0.0082272200000000 ] - [ 0.0000689800000000, 0.0005879100000000, -0.0000739100000000 ] - [ 0.0002131000000000, -0.0005045600000000, -0.0000934800000000 ] - [ 0.0009446400000000, -0.0003475700000000, -0.0002501700000000 ] - [ -0.0006903600000000, -0.0006185700000000, -0.0000483800000000 ] - [ -0.0002367900000000, 0.0008805500000000, -0.0000680900000000 ] - [ -0.0001389100000000, -0.0003848100000000, 0.0001142200000000 ] - [ -0.0003200000000000, 0.0004124400000000, -0.0001390600000000 ] - [ 0.0003341700000000, 0.0000616700000000, 0.0000073400000000 ] - [ -0.0008958100000000, 0.0007065800000000, 0.0004111700000000 ] - [ 0.0002820200000000, 0.0001631800000000, 0.0000429600000000 ] - [ -0.0020215200000000, -0.0020689400000000, 0.0017212600000000 ] - [ 0.0000019200000000, -0.0000010900000000, -0.0000593500000000 ] - [ 0.0000055200000000, -0.0000014000000000, 0.0000921300000000 ] - [ 0.0000616200000000, -0.0002833500000000, 0.0006039400000000 ] - [ -0.0002731900000000, 0.0000590500000000, 0.0005850700000000 ] - [ 0.0002102000000000, 0.0002298600000000, 0.0006017700000000 ] - [ -0.0000710200000000, 0.0002719000000000, -0.0005570400000000 ] - [ 0.0002773700000000, -0.0000774300000000, -0.0005670700000000 ] - [ -0.0002050700000000, -0.0002034400000000, -0.0005652600000000 ] - [ 0.0002982600000000, -0.0003118800000000, 0.0001419600000000 ] - [ -0.0004183700000000, -0.0001009600000000, 0.0001430600000000 ] - [ 0.0001203700000000, 0.0004140300000000, 0.0001422700000000 ] - [ -0.0002925700000000, 0.0003031500000000, -0.0001117300000000 ] - [ 0.0004057000000000, 0.0000973600000000, -0.0001105700000000 ] - [ -0.0001181800000000, -0.0004023800000000, -0.0001106600000000 ] - [ 0.0000657100000000, 0.0001889500000000, -0.0002690300000000 ] - [ 0.0001255900000000, -0.0001493200000000, -0.0002707400000000 ] - [ -0.0001904200000000, -0.0000227000000000, -0.0002735600000000 ] - [ -0.0000777300000000, -0.0001883200000000, 0.0002797900000000 ] - [ -0.0001238000000000, 0.0001413700000000, 0.0002884000000000 ] - [ 0.0001540400000000, 0.0000345500000000, 0.0002927000000000 ] - [ -0.0000519600000000, -0.0001916600000000, 0.0002873600000000 ] - [ -0.0001400900000000, 0.0001396900000000, 0.0002870100000000 ] - [ 0.0001887200000000, 0.0000545600000000, 0.0002869600000000 ] - [ 0.0000477400000000, 0.0001897600000000, -0.0002450400000000 ] - [ 0.0001408900000000, -0.0001336500000000, -0.0002486100000000 ] - [ -0.0001841500000000, -0.0000569500000000, -0.0002500100000000 ] - [ -0.0008628400000000, 0.0002373000000000, 0.0001240600000000 ] - [ 0.0006383000000000, 0.0006334900000000, 0.0001399700000000 ] - [ 0.0002333100000000, -0.0008631600000000, 0.0001286000000000 ] - [ 0.0008598700000000, -0.0002371000000000, -0.0000849500000000 ] - [ -0.0006326100000000, -0.0006258600000000, -0.0000853200000000 ] - [ -0.0002253800000000, 0.0008611800000000, -0.0000859500000000 ] - [ -0.0000414300000000, -0.0003907600000000, 0.0000230700000000 ] - [ -0.0003194100000000, 0.0002301300000000, 0.0000211600000000 ] - [ 0.0003616900000000, 0.0001628400000000, 0.0000220900000000 ] - [ 0.0000231300000000, 0.0003947800000000, 0.0000186600000000 ] - [ 0.0003298900000000, -0.0002179600000000, 0.0000169900000000 ] - [ -0.0003539200000000, -0.0001773500000000, 0.0000138800000000 ] - [ -0.0001254200000000, -0.0002744700000000, 0.0000624800000000 ] - [ -0.0000058800000000, 0.0000213400000000, 0.0000737400000000 ] - [ 0.0000839200000000, -0.0002734400000000, 0.0005991600000000 ] - [ -0.0002845800000000, 0.0000660000000000, 0.0006025800000000 ] - [ 0.0002000100000000, 0.0002002700000000, 0.0005924500000000 ] - [ -0.0003754000000000, 0.0005681100000000, -0.0005420400000000 ] - [ -0.0009544200000000, 0.0002212500000000, 0.0025353600000000 ] - [ -0.0003289300000000, -0.0002405100000000, -0.0007232600000000 ] - [ 0.0002963200000000, -0.0003128500000000, 0.0001208000000000 ] - [ -0.0003561300000000, -0.0000413600000000, 0.0000729000000000 ] - [ 0.0000928800000000, 0.0004275200000000, 0.0001135000000000 ] - [ -0.0002781300000000, 0.0003357900000000, -0.0001302400000000 ] - [ 0.0004112700000000, 0.0001150400000000, -0.0001152100000000 ] - [ -0.0000918100000000, -0.0004278000000000, -0.0000775300000000 ] - [ -0.0000588400000000, 0.0007419200000000, 0.0004958800000000 ] - [ -0.0009976700000000, -0.0013772200000000, -0.0024257800000000 ] - [ -0.0006761000000000, -0.0000179000000000, -0.0005463300000000 ] - [ -0.0000737500000000, -0.0001963900000000, 0.0003006600000000 ] - [ -0.0001385400000000, 0.0001622800000000, 0.0002986600000000 ] - [ 0.0002091000000000, 0.0000315200000000, 0.0003048900000000 ] - [ -0.0000502200000000, -0.0002122300000000, 0.0002854800000000 ] - [ -0.0002202100000000, 0.0001245200000000, 0.0003185500000000 ] - [ 0.0002016000000000, -0.0000336900000000, 0.0002570700000000 ] - [ 0.0000759400000000, 0.0002222300000000, -0.0002671900000000 ] - [ 0.0001170500000000, -0.0002741900000000, -0.0001596100000000 ] - [ -0.0002589200000000, -0.0000402100000000, -0.0003070200000000 ] - [ -0.0008381700000000, 0.0002431700000000, 0.0001256700000000 ] - [ 0.0006278400000000, 0.0006071500000000, 0.0001295900000000 ] - [ 0.0002025700000000, -0.0008577700000000, 0.0001833100000000 ] - [ 0.0009171200000000, -0.0003307300000000, -0.0001700400000000 ] - [ -0.0006419100000000, -0.0006907400000000, -0.0000666900000000 ] - [ -0.0004914900000000, 0.0007784100000000, 0.0001271800000000 ] - [ -0.0000788400000000, -0.0003829800000000, 0.0000591100000000 ] - [ -0.0002579600000000, 0.0001571300000000, 0.0000714100000000 ] - [ 0.0003096400000000, 0.0000719300000000, -0.0000522900000000 ] - [ 0.0000339000000000, 0.0003719000000000, 0.0000074100000000 ] - [ 0.0002689900000000, -0.0002068100000000, 0.0000070200000000 ] - [ -0.0003426600000000, -0.0001585500000000, -0.0000094600000000 ] - [ -0.0054438100000000, -0.0077071600000000, -0.0085673900000000 ] - [ 0.0006209300000000, 0.0000086600000000, -0.0001984100000000 ] - [ 0.0002696600000000, -0.0006478700000000, 0.0000095400000000 ] - [ 0.0000359800000000, 0.0000091100000000, 0.0001584600000000 ] - [ -0.0000731800000000, 0.0000260400000000, 0.0000992800000000 ] - [ 0.0001021700000000, 0.0000815600000000, 0.0001311900000000 ] - [ 0.0001923900000000, -0.0004147400000000, -0.0004664200000000 ] - [ -0.0014445400000000, -0.0003964000000000, -0.0002745000000000 ] - [ 0.0003894700000000, 0.0000161600000000, -0.0004707500000000 ] - [ 0.0002128300000000, 0.0000383800000000, -0.0002115100000000 ] - [ 0.0003831800000000, -0.0001697100000000, 0.0001663700000000 ] - [ 0.0001177800000000, -0.0002026900000000, -0.0008169900000000 ] - [ 0.0004586500000000, 0.0010469500000000, 0.0003886200000000 ] - [ 0.0015146900000000, -0.0008836900000000, 0.0013755900000000 ] - [ -0.0271140500000000, 0.0261145900000000, -0.0071300200000000 ] - [ 0.0006815200000000, 0.0000736100000000, 0.0002226700000000 ] - [ -0.0001549400000000, -0.0006244300000000, 0.0001660600000000 ] - [ -0.0003138600000000, 0.0005666900000000, 0.0003302000000000 ] - [ -0.0148719200000000, -0.0109016500000000, 0.0196616100000000 ] - [ 0.0006712500000000, 0.0001539000000000, -0.0003980600000000 ] - [ -0.0002400900000000, -0.0001815500000000, -0.0003595900000000 ] - [ -0.0007237600000000, 0.0007540700000000, 0.0007042700000000 ] - [ 0.0001532600000000, 0.0003150600000000, 0.0000195400000000 ] - [ 0.0004055000000000, -0.0002664700000000, 0.0000372800000000 ] - [ -0.0000498600000000, -0.0000548800000000, -0.0001552300000000 ] - [ -0.0000121000000000, 0.0000107900000000, -0.0001925600000000 ] - [ -0.0000018000000000, 0.0000015300000000, -0.0001688500000000 ] - [ 0.0000289800000000, 0.0000376700000000, 0.0001181200000000 ] - [ 0.0000141200000000, -0.0000243900000000, 0.0001142100000000 ] - [ -0.0000460700000000, 0.0000039700000000, 0.0001223900000000 ] - [ 0.0000015800000000, -0.0003254300000000, -0.0001767800000000 ] - [ -0.0002790500000000, 0.0001550700000000, -0.0001753400000000 ] - [ 0.0002755700000000, 0.0001754600000000, -0.0001765500000000 ] - [ 0.0000004700000000, 0.0003143500000000, 0.0001271700000000 ] - [ 0.0002723800000000, -0.0001507300000000, 0.0001283100000000 ] - [ -0.0002696200000000, -0.0001704800000000, 0.0001282500000000 ] - [ -0.0006366800000000, -0.0002828800000000, -0.0002734800000000 ] - [ 0.0000647700000000, 0.0006714900000000, -0.0002897800000000 ] - [ 0.0005562400000000, -0.0003979900000000, -0.0002708000000000 ] - [ 0.0006259600000000, 0.0002950000000000, 0.0002233800000000 ] - [ -0.0000607400000000, -0.0006860900000000, 0.0002192600000000 ] - [ -0.0005668900000000, 0.0003958800000000, 0.0002229700000000 ] - [ 0.0001849600000000, 0.0002887000000000, -0.0001792000000000 ] - [ 0.0001606600000000, -0.0003115000000000, -0.0001850400000000 ] - [ -0.0003486000000000, 0.0000133000000000, -0.0001811600000000 ] - [ -0.0001929000000000, -0.0002847800000000, 0.0001178200000000 ] - [ -0.0001507100000000, 0.0003109800000000, 0.0001161900000000 ] - [ 0.0003436700000000, -0.0000247800000000, 0.0001186400000000 ] - [ -0.0000210300000000, 0.0000745000000000, -0.0001722200000000 ] - [ 0.0000772000000000, -0.0000234900000000, -0.0001695700000000 ] - [ -0.0000327000000000, -0.0000647900000000, -0.0001887900000000 ] - [ 0.0002981300000000, 0.0000360100000000, 0.0002862500000000 ] - [ 0.0000383000000000, -0.0007105600000000, -0.0010388300000000 ] - [ 0.0006557900000000, 0.0008305300000000, 0.0008982000000000 ] - [ -0.0000102500000000, -0.0004196100000000, -0.0001501600000000 ] - [ -0.0003634000000000, 0.0003279200000000, -0.0002607400000000 ] - [ 0.0002289100000000, 0.0000640700000000, -0.0000731200000000 ] - [ -0.0001416100000000, 0.0004590700000000, 0.0001523900000000 ] - [ 0.0004256200000000, -0.0002432500000000, 0.0002482600000000 ] - [ -0.0003741600000000, -0.0002645100000000, 0.0001908000000000 ] - [ -0.0006191300000000, -0.0000118300000000, -0.0002321000000000 ] - [ 0.0003091800000000, 0.0005107700000000, -0.0002456600000000 ] - [ 0.0003117100000000, -0.0005504800000000, -0.0002375300000000 ] - [ 0.0004795700000000, 0.0007880700000000, 0.0005444400000000 ] - [ 0.0000842400000000, -0.0005836200000000, 0.0000861700000000 ] - [ -0.0009327400000000, 0.0005683700000000, -0.0001101300000000 ] - [ 0.0001911800000000, 0.0002260600000000, -0.0001834200000000 ] - [ 0.0000921400000000, -0.0002869100000000, -0.0002145500000000 ] - [ -0.0001918500000000, 0.0001365700000000, -0.0003004500000000 ] - [ -0.0000933100000000, -0.0000640200000000, 0.0002377400000000 ] - [ 0.0000503600000000, 0.0002495900000000, 0.0001822800000000 ] - [ 0.0003484200000000, 0.0002008000000000, -0.0000867300000000 ]- atom: 39 displacement: [ -0.0050000000088145, 0.0086602540327554, 0.0000000000000000 ] forces: - [ -0.0000436600000000, -0.0000562300000000, -0.0005396200000000 ] - [ -0.0001440200000000, -0.0000966500000000, 0.0006369400000000 ] - [ 0.0006838000000000, -0.0002953500000000, 0.0000174200000000 ] - [ 0.0000880200000000, 0.0000060200000000, -0.0000049800000000 ] - [ 0.0000012200000000, -0.0000010400000000, -0.0005311300000000 ] - [ -0.0000002600000000, 0.0000040400000000, 0.0005174400000000 ] - [ 0.0000017600000000, 0.0000070500000000, -0.0001203700000000 ] - [ -0.0000007900000000, -0.0000012500000000, 0.0001023700000000 ] - [ 0.0000641200000000, 0.0001759300000000, -0.0003947200000000 ] - [ -0.0000024500000000, 0.0000034600000000, 0.0005134200000000 ] - [ -0.0000095900000000, -0.0000065500000000, -0.0001234600000000 ] - [ 0.0001165400000000, -0.0000881900000000, 0.0000386200000000 ] - [ -0.0001933700000000, 0.0000677600000000, -0.0001428000000000 ] - [ -0.0050798300000000, 0.0013748100000000, -0.0004774000000000 ] - [ -0.0010106300000000, -0.0002124000000000, 0.0009598500000000 ] - [ -0.0002268500000000, 0.0003641900000000, 0.0003646500000000 ] - [ -0.0001972300000000, 0.0076102900000000, 0.0044742100000000 ] - [ -0.0000297100000000, 0.0002522400000000, -0.0005430500000000 ] - [ 0.0002514000000000, 0.0000323000000000, -0.0005958900000000 ] - [ -0.0001899500000000, -0.0001852100000000, -0.0004855900000000 ] - [ 0.0005450200000000, -0.0002421500000000, 0.0000202700000000 ] - [ -0.0002772500000000, 0.0000535800000000, 0.0002594100000000 ] - [ 0.0002433400000000, 0.0005483400000000, 0.0002718200000000 ] - [ 0.0006820300000000, -0.0001321900000000, 0.0006720600000000 ] - [ 0.0008100300000000, 0.0003748500000000, -0.0002071800000000 ] - [ -0.0002243200000000, -0.0000193200000000, -0.0000712300000000 ] - [ 0.0000735800000000, 0.0001988600000000, -0.0002729800000000 ] - [ 0.0001317500000000, -0.0001508500000000, -0.0002664200000000 ] - [ -0.0001929700000000, -0.0000133800000000, -0.0002513900000000 ] - [ 0.0010419700000000, 0.0003651100000000, -0.0006401400000000 ] - [ 0.0000207800000000, 0.0000974600000000, 0.0003275300000000 ] - [ 0.0005006900000000, 0.0008856800000000, 0.0007885300000000 ] - [ -0.0001247100000000, -0.0003008800000000, 0.0003579500000000 ] - [ -0.0003760400000000, 0.0005272000000000, 0.0006009600000000 ] - [ 0.0009140600000000, 0.0015531800000000, -0.0027993700000000 ] - [ 0.0000258400000000, 0.0001220900000000, -0.0002612800000000 ] - [ -0.0000709000000000, 0.0000144900000000, -0.0001993500000000 ] - [ -0.0001441700000000, -0.0003175300000000, 0.0018012200000000 ] - [ 0.0369662900000000, -0.0686914800000000, 0.0042366100000000 ] - [ 0.0003245100000000, 0.0004482400000000, -0.0000455000000000 ] - [ -0.0000373000000000, -0.0003506500000000, -0.0002021800000000 ] - [ 0.0009824400000000, -0.0004495800000000, -0.0003105500000000 ] - [ -0.0006553600000000, -0.0006071300000000, -0.0000824500000000 ] - [ -0.0002444600000000, 0.0008956700000000, -0.0000546000000000 ] - [ -0.0000911400000000, -0.0003146100000000, 0.0000874300000000 ] - [ -0.0004102300000000, 0.0004586200000000, -0.0002018400000000 ] - [ 0.0003601600000000, -0.0000718300000000, 0.0000602800000000 ] - [ -0.0007963100000000, 0.0006925600000000, 0.0003134700000000 ] - [ -0.0016674100000000, 0.0033633000000000, 0.0023275100000000 ] - [ 0.0006770200000000, -0.0003029100000000, -0.0006430200000000 ] - [ 0.0000007700000000, -0.0000016900000000, -0.0000637900000000 ] - [ 0.0000148500000000, 0.0000071500000000, 0.0000853000000000 ] - [ 0.0000696200000000, -0.0002812300000000, 0.0006170600000000 ] - [ -0.0002718300000000, 0.0000464400000000, 0.0005658800000000 ] - [ 0.0002152200000000, 0.0002183000000000, 0.0005867900000000 ] - [ -0.0000736900000000, 0.0002768500000000, -0.0005686100000000 ] - [ 0.0002824100000000, -0.0000756300000000, -0.0005720300000000 ] - [ -0.0002059600000000, -0.0002030400000000, -0.0005688700000000 ] - [ 0.0002978300000000, -0.0003110900000000, 0.0001360400000000 ] - [ -0.0004164200000000, -0.0000992300000000, 0.0001377100000000 ] - [ 0.0001184900000000, 0.0004122400000000, 0.0001346700000000 ] - [ -0.0002965700000000, 0.0003053100000000, -0.0001175600000000 ] - [ 0.0004069300000000, 0.0000953100000000, -0.0001139100000000 ] - [ -0.0001180100000000, -0.0004046800000000, -0.0001155200000000 ] - [ 0.0000682400000000, 0.0001878500000000, -0.0002749400000000 ] - [ 0.0001252200000000, -0.0001496300000000, -0.0002813600000000 ] - [ -0.0001946700000000, -0.0000254300000000, -0.0002741300000000 ] - [ -0.0000887400000000, -0.0001757800000000, 0.0002640000000000 ] - [ -0.0001282600000000, 0.0001255700000000, 0.0002999500000000 ] - [ 0.0001528700000000, 0.0000406300000000, 0.0002702300000000 ] - [ -0.0000506500000000, -0.0001899500000000, 0.0002830800000000 ] - [ -0.0001408500000000, 0.0001378000000000, 0.0002798500000000 ] - [ 0.0001881500000000, 0.0000551300000000, 0.0002802000000000 ] - [ 0.0000491200000000, 0.0001898500000000, -0.0002490400000000 ] - [ 0.0001434100000000, -0.0001319000000000, -0.0002566400000000 ] - [ -0.0001843800000000, -0.0000566000000000, -0.0002558000000000 ] - [ -0.0008636100000000, 0.0002389100000000, 0.0001180800000000 ] - [ 0.0006429100000000, 0.0006391800000000, 0.0001468100000000 ] - [ 0.0002359500000000, -0.0008563400000000, 0.0001157000000000 ] - [ 0.0008609200000000, -0.0002369100000000, -0.0000922500000000 ] - [ -0.0006338600000000, -0.0006260800000000, -0.0000918900000000 ] - [ -0.0002248800000000, 0.0008597700000000, -0.0000908000000000 ] - [ -0.0000389400000000, -0.0003919900000000, 0.0000170600000000 ] - [ -0.0003197400000000, 0.0002275700000000, 0.0000156800000000 ] - [ 0.0003598700000000, 0.0001647100000000, 0.0000168100000000 ] - [ 0.0000255900000000, 0.0003986100000000, 0.0000179600000000 ] - [ 0.0003248500000000, -0.0002197700000000, 0.0000015500000000 ] - [ -0.0003534000000000, -0.0001755000000000, 0.0000110200000000 ] - [ 0.0002745000000000, 0.0000877000000000, -0.0001353900000000 ] - [ -0.0000105800000000, 0.0000086900000000, 0.0000688100000000 ] - [ 0.0000846300000000, -0.0002752900000000, 0.0006003800000000 ] - [ -0.0002794500000000, 0.0000682200000000, 0.0005916500000000 ] - [ 0.0002020100000000, 0.0001990000000000, 0.0005864300000000 ] - [ -0.0009471800000000, 0.0010399100000000, -0.0003194600000000 ] - [ -0.0000213100000000, -0.0002797900000000, 0.0007081400000000 ] - [ -0.0002321500000000, -0.0001658700000000, -0.0006644100000000 ] - [ 0.0002034100000000, -0.0002914600000000, 0.0000571000000000 ] - [ -0.0004327100000000, -0.0001203800000000, 0.0000966200000000 ] - [ 0.0001060400000000, 0.0004212300000000, 0.0001274600000000 ] - [ -0.0002763600000000, 0.0003052300000000, -0.0001087300000000 ] - [ 0.0004021800000000, 0.0001204600000000, -0.0001085500000000 ] - [ -0.0001186200000000, -0.0004373500000000, -0.0000977700000000 ] - [ -0.0009049700000000, 0.0023005900000000, 0.0007577100000000 ] - [ 0.0005290900000000, -0.0006967200000000, -0.0003972000000000 ] - [ -0.0006572200000000, -0.0000526600000000, -0.0005050900000000 ] - [ -0.0000716200000000, -0.0001988200000000, 0.0002944100000000 ] - [ -0.0001394600000000, 0.0001619600000000, 0.0002929400000000 ] - [ 0.0002045300000000, 0.0000292800000000, 0.0002974800000000 ] - [ -0.0000352800000000, -0.0002068100000000, 0.0003996800000000 ] - [ -0.0001596400000000, 0.0001506600000000, 0.0002852400000000 ] - [ 0.0002436700000000, 0.0000369700000000, 0.0002343400000000 ] - [ 0.0000140400000000, 0.0002544200000000, -0.0002445900000000 ] - [ 0.0001347900000000, -0.0002384200000000, -0.0002201600000000 ] - [ -0.0002053900000000, -0.0000108200000000, -0.0003048400000000 ] - [ -0.0008378900000000, 0.0002441600000000, 0.0001174600000000 ] - [ 0.0006183400000000, 0.0006047300000000, 0.0001323300000000 ] - [ 0.0002052600000000, -0.0008502600000000, 0.0001455400000000 ] - [ 0.0009640200000000, -0.0001193200000000, -0.0003059100000000 ] - [ -0.0007114500000000, -0.0003345300000000, 0.0002685400000000 ] - [ -0.0001523100000000, 0.0009053700000000, -0.0001227800000000 ] - [ -0.0000503200000000, -0.0002738800000000, 0.0001247900000000 ] - [ -0.0002499200000000, 0.0001880200000000, 0.0000285400000000 ] - [ 0.0004469900000000, 0.0002144900000000, 0.0000157300000000 ] - [ 0.0000165900000000, 0.0003645700000000, 0.0000174300000000 ] - [ 0.0002921200000000, -0.0002074900000000, -0.0000041100000000 ] - [ -0.0003535500000000, -0.0001319000000000, -0.0000359400000000 ] - [ 0.0026142700000000, 0.0102727100000000, 0.0076702400000000 ] - [ 0.0004874500000000, 0.0000559700000000, -0.0002841800000000 ] - [ 0.0008061000000000, -0.0017114100000000, -0.0003562300000000 ] - [ 0.0000539800000000, 0.0000821800000000, 0.0001780000000000 ] - [ -0.0000883300000000, 0.0000303200000000, 0.0001112300000000 ] - [ 0.0001153900000000, 0.0000471100000000, 0.0001333900000000 ] - [ -0.0001188100000000, -0.0008860900000000, -0.0004012600000000 ] - [ -0.0013806400000000, -0.0007047700000000, -0.0000750200000000 ] - [ 0.0004921200000000, 0.0006270600000000, -0.0006180500000000 ] - [ 0.0002679600000000, -0.0002533200000000, 0.0000620100000000 ] - [ -0.0005172800000000, -0.0000395700000000, -0.0007388700000000 ] - [ -0.0009406600000000, -0.0000501100000000, 0.0005392600000000 ] - [ -0.0007793400000000, 0.0016958200000000, 0.0003427800000000 ] - [ 0.0015186000000000, -0.0007456700000000, 0.0011412500000000 ] - [ -0.0357323900000000, 0.0341427200000000, -0.0107907800000000 ] - [ 0.0006172000000000, 0.0001073600000000, 0.0001995600000000 ] - [ -0.0001640900000000, -0.0006757400000000, 0.0001880800000000 ] - [ -0.0002947800000000, 0.0005983300000000, 0.0004050400000000 ] - [ 0.0015500000000000, 0.0074006600000000, -0.0067247700000000 ] - [ 0.0005184200000000, 0.0002077100000000, -0.0003688400000000 ] - [ 0.0013474800000000, -0.0003287900000000, -0.0005871800000000 ] - [ -0.0010280400000000, 0.0012927500000000, 0.0007552600000000 ] - [ 0.0000287800000000, 0.0002442000000000, 0.0000982000000000 ] - [ 0.0005816200000000, -0.0002597600000000, -0.0000952700000000 ] - [ -0.0000524200000000, -0.0000339200000000, -0.0001629600000000 ] - [ -0.0000137400000000, -0.0000071700000000, -0.0001998800000000 ] - [ -0.0000056200000000, 0.0000053800000000, -0.0001360200000000 ] - [ 0.0000248700000000, 0.0000346000000000, 0.0001284100000000 ] - [ 0.0000226200000000, -0.0000285800000000, 0.0001261500000000 ] - [ -0.0000539800000000, 0.0000058100000000, 0.0001255500000000 ] - [ 0.0000037100000000, -0.0003220100000000, -0.0001681700000000 ] - [ -0.0002793700000000, 0.0001568300000000, -0.0001678600000000 ] - [ 0.0002768600000000, 0.0001735600000000, -0.0001695300000000 ] - [ -0.0000018600000000, 0.0003115500000000, 0.0001328500000000 ] - [ 0.0002767300000000, -0.0001557200000000, 0.0001397800000000 ] - [ -0.0002712400000000, -0.0001692900000000, 0.0001357100000000 ] - [ -0.0006408100000000, -0.0002893800000000, -0.0002743500000000 ] - [ 0.0000560800000000, 0.0006573900000000, -0.0002913400000000 ] - [ 0.0005576500000000, -0.0004120900000000, -0.0002437700000000 ] - [ 0.0006266200000000, 0.0002966100000000, 0.0002329800000000 ] - [ -0.0000592900000000, -0.0006821900000000, 0.0002311600000000 ] - [ -0.0005664600000000, 0.0003963000000000, 0.0002315500000000 ] - [ 0.0001828300000000, 0.0002902000000000, -0.0001674300000000 ] - [ 0.0001579800000000, -0.0003173000000000, -0.0001828600000000 ] - [ -0.0003494200000000, 0.0000141100000000, -0.0001657000000000 ] - [ -0.0001915800000000, -0.0002853100000000, 0.0001281500000000 ] - [ -0.0001514500000000, 0.0003115100000000, 0.0001258500000000 ] - [ 0.0003421500000000, -0.0000241900000000, 0.0001290900000000 ] - [ -0.0000255200000000, 0.0000731000000000, -0.0001625200000000 ] - [ 0.0000817400000000, -0.0000237300000000, -0.0001680700000000 ] - [ -0.0000444500000000, -0.0000652600000000, -0.0001732400000000 ] - [ -0.0000913300000000, -0.0000967200000000, 0.0002459100000000 ] - [ -0.0000457600000000, -0.0015825900000000, -0.0027263800000000 ] - [ -0.0001698200000000, 0.0003695300000000, 0.0006344600000000 ] - [ -0.0000720700000000, -0.0004418400000000, -0.0002109600000000 ] - [ -0.0003340800000000, 0.0002918300000000, -0.0001459800000000 ] - [ 0.0002901400000000, 0.0001571600000000, -0.0001548400000000 ] - [ -0.0000387500000000, 0.0005015600000000, 0.0001620300000000 ] - [ 0.0003973400000000, -0.0002243200000000, 0.0002162400000000 ] - [ -0.0002990800000000, -0.0003051400000000, 0.0002323200000000 ] - [ -0.0005981500000000, -0.0000126000000000, -0.0002216200000000 ] - [ 0.0003238600000000, 0.0005266500000000, -0.0002383000000000 ] - [ 0.0003123800000000, -0.0005447900000000, -0.0002281900000000 ] - [ 0.0003314200000000, 0.0002074100000000, 0.0002732500000000 ] - [ -0.0001717400000000, -0.0007250900000000, -0.0001677700000000 ] - [ -0.0009781600000000, 0.0004473000000000, 0.0004841900000000 ] - [ 0.0001956200000000, 0.0002125800000000, -0.0001844800000000 ] - [ 0.0001244500000000, -0.0002621400000000, -0.0002389100000000 ] - [ -0.0002419900000000, 0.0000981900000000, -0.0002424100000000 ] - [ -0.0003161900000000, -0.0002420400000000, 0.0003531300000000 ] - [ 0.0001626700000000, 0.0000761700000000, -0.0000667600000000 ] - [ 0.0002225200000000, 0.0000698900000000, 0.0000381000000000 ]- atom: 39 displacement: [ 0.0050000000088145, -0.0086602540327554, 0.0000000000000000 ] forces: - [ 0.0000460500000000, 0.0000543000000000, -0.0005045700000000 ] - [ 0.0001444200000000, 0.0000971900000000, 0.0004077200000000 ] - [ -0.0006837600000000, 0.0002995900000000, -0.0002410900000000 ] - [ -0.0000907000000000, -0.0000058300000000, 0.0002264800000000 ] - [ -0.0000004800000000, 0.0000003500000000, -0.0005148000000000 ] - [ -0.0000007100000000, -0.0000030900000000, 0.0005278600000000 ] - [ -0.0000010300000000, -0.0000053300000000, -0.0001019000000000 ] - [ 0.0000000900000000, -0.0000002900000000, 0.0001193900000000 ] - [ -0.0000649400000000, -0.0001746400000000, -0.0006494600000000 ] - [ 0.0000001100000000, -0.0000017300000000, 0.0005302600000000 ] - [ 0.0000117200000000, 0.0000066700000000, -0.0000982400000000 ] - [ -0.0001171200000000, 0.0000844100000000, 0.0001862600000000 ] - [ 0.0001943800000000, -0.0000674300000000, 0.0000257100000000 ] - [ 0.0050211300000000, -0.0013733600000000, 0.0006386500000000 ] - [ 0.0011702400000000, -0.0003578800000000, 0.0001965200000000 ] - [ -0.0003434700000000, -0.0002127300000000, 0.0007961100000000 ] - [ 0.0006125300000000, -0.0072668900000000, -0.0033297900000000 ] - [ -0.0001213000000000, 0.0002901000000000, -0.0006177200000000 ] - [ 0.0002933800000000, -0.0001726900000000, -0.0005642600000000 ] - [ -0.0002039500000000, -0.0002169700000000, -0.0006731200000000 ] - [ 0.0000686600000000, -0.0003851500000000, 0.0002206700000000 ] - [ -0.0005728800000000, -0.0002696300000000, -0.0000149500000000 ] - [ -0.0000064300000000, 0.0003009100000000, -0.0000307500000000 ] - [ -0.0012800200000000, 0.0007331400000000, -0.0009316000000000 ] - [ 0.0000224000000000, -0.0001691100000000, -0.0000543000000000 ] - [ -0.0000130900000000, -0.0008017000000000, -0.0001872000000000 ] - [ 0.0000698700000000, 0.0001969000000000, -0.0002919900000000 ] - [ 0.0001389400000000, -0.0001685200000000, -0.0002983200000000 ] - [ -0.0002121900000000, -0.0000491300000000, -0.0003168900000000 ] - [ -0.0011433800000000, -0.0007449100000000, 0.0012122000000000 ] - [ -0.0002998700000000, 0.0001840200000000, 0.0002525000000000 ] - [ -0.0001295500000000, -0.0007983800000000, -0.0002075200000000 ] - [ -0.0000314800000000, -0.0001229100000000, 0.0001806100000000 ] - [ 0.0000885000000000, -0.0001782200000000, -0.0000555400000000 ] - [ -0.0004692800000000, -0.0014812100000000, 0.0033586000000000 ] - [ 0.0000870100000000, 0.0003122300000000, -0.0002724700000000 ] - [ 0.0003894400000000, -0.0003256800000000, -0.0003371600000000 ] - [ -0.0002770600000000, 0.0001902400000000, -0.0023387600000000 ] - [ -0.0369471700000000, 0.0676062500000000, -0.0032532800000000 ] - [ 0.0009594200000000, 0.0007932700000000, 0.0002541500000000 ] - [ 0.0004758300000000, -0.0013800700000000, 0.0004140000000000 ] - [ 0.0006928500000000, -0.0000339700000000, 0.0000846100000000 ] - [ -0.0005988400000000, -0.0005973500000000, -0.0001436000000000 ] - [ -0.0001761400000000, 0.0007908900000000, -0.0001713000000000 ] - [ 0.0000278400000000, -0.0004122300000000, -0.0000759800000000 ] - [ -0.0001907700000000, -0.0000409300000000, 0.0002150800000000 ] - [ 0.0003070300000000, 0.0003850800000000, -0.0000458300000000 ] - [ 0.0008411600000000, 0.0000578500000000, -0.0003356200000000 ] - [ 0.0022780700000000, -0.0037049600000000, -0.0023096500000000 ] - [ -0.0013601900000000, -0.0000386600000000, 0.0006050700000000 ] - [ -0.0000001000000000, 0.0000019000000000, -0.0000837000000000 ] - [ -0.0000154300000000, -0.0000073000000000, 0.0000626500000000 ] - [ 0.0000850500000000, -0.0002852500000000, 0.0005494500000000 ] - [ -0.0002955100000000, 0.0001033200000000, 0.0006013000000000 ] - [ 0.0001977800000000, 0.0002000800000000, 0.0005777800000000 ] - [ -0.0000817700000000, 0.0002900900000000, -0.0005975200000000 ] - [ 0.0002837700000000, -0.0000747600000000, -0.0005936500000000 ] - [ -0.0002068100000000, -0.0002158100000000, -0.0005950600000000 ] - [ 0.0002914800000000, -0.0003040700000000, 0.0001158600000000 ] - [ -0.0004089300000000, -0.0001008100000000, 0.0001149400000000 ] - [ 0.0001199800000000, 0.0004046100000000, 0.0001153500000000 ] - [ -0.0002929100000000, 0.0003099000000000, -0.0001337100000000 ] - [ 0.0004182500000000, 0.0001048200000000, -0.0001384300000000 ] - [ -0.0001204400000000, -0.0004129200000000, -0.0001344000000000 ] - [ 0.0000750700000000, 0.0001893100000000, -0.0002957900000000 ] - [ 0.0001300800000000, -0.0001604800000000, -0.0002901600000000 ] - [ -0.0001940000000000, -0.0000272900000000, -0.0003010700000000 ] - [ -0.0000543600000000, -0.0002020700000000, 0.0003074300000000 ] - [ -0.0001262500000000, 0.0001846000000000, 0.0002725200000000 ] - [ 0.0002364300000000, 0.0000126400000000, 0.0003054400000000 ] - [ -0.0000457700000000, -0.0001917700000000, 0.0002529400000000 ] - [ -0.0001415100000000, 0.0001334500000000, 0.0002580800000000 ] - [ 0.0001839400000000, 0.0000571200000000, 0.0002569200000000 ] - [ 0.0000471400000000, 0.0001921000000000, -0.0002862100000000 ] - [ 0.0001386800000000, -0.0001390500000000, -0.0002806100000000 ] - [ -0.0001873700000000, -0.0000549000000000, -0.0002808000000000 ] - [ -0.0008614500000000, 0.0002351200000000, 0.0000928300000000 ] - [ 0.0006261800000000, 0.0006124200000000, 0.0000646000000000 ] - [ 0.0002176900000000, -0.0008665700000000, 0.0000956200000000 ] - [ 0.0008640200000000, -0.0002365800000000, -0.0001176600000000 ] - [ -0.0006349800000000, -0.0006253800000000, -0.0001184700000000 ] - [ -0.0002286000000000, 0.0008632200000000, -0.0001198100000000 ] - [ -0.0000274800000000, -0.0003911500000000, -0.0000081500000000 ] - [ -0.0003267300000000, 0.0002206700000000, -0.0000064900000000 ] - [ 0.0003576000000000, 0.0001740300000000, -0.0000060200000000 ] - [ 0.0000405300000000, 0.0003848500000000, -0.0000258300000000 ] - [ 0.0003223000000000, -0.0002283800000000, -0.0000094400000000 ] - [ -0.0003638600000000, -0.0001633100000000, -0.0000213200000000 ] - [ -0.0002692400000000, -0.0000862400000000, -0.0000175700000000 ] - [ 0.0000097000000000, -0.0000088000000000, 0.0000489000000000 ] - [ 0.0000662100000000, -0.0002671200000000, 0.0005614100000000 ] - [ -0.0002647200000000, 0.0000733000000000, 0.0005693000000000 ] - [ 0.0001914800000000, 0.0002040900000000, 0.0005718600000000 ] - [ 0.0007889400000000, -0.0004665200000000, -0.0008451300000000 ] - [ 0.0005841200000000, 0.0001291200000000, -0.0018526700000000 ] - [ -0.0001835600000000, -0.0002535400000000, -0.0004934700000000 ] - [ 0.0003913500000000, -0.0003239900000000, 0.0002014900000000 ] - [ -0.0003964900000000, -0.0000826400000000, 0.0001629300000000 ] - [ 0.0001314000000000, 0.0004003300000000, 0.0001288700000000 ] - [ -0.0003380200000000, 0.0003230800000000, -0.0001328000000000 ] - [ 0.0004487000000000, 0.0000959500000000, -0.0001348100000000 ] - [ -0.0001179500000000, -0.0004113100000000, -0.0001423500000000 ] - [ 0.0009871200000000, -0.0018879000000000, -0.0013411800000000 ] - [ -0.0002244300000000, 0.0004262100000000, -0.0001679000000000 ] - [ 0.0002817700000000, -0.0000416300000000, -0.0000816400000000 ] - [ -0.0000718300000000, -0.0001969900000000, 0.0002712900000000 ] - [ -0.0001317200000000, 0.0001577700000000, 0.0002723200000000 ] - [ 0.0002009100000000, 0.0000333400000000, 0.0002713700000000 ] - [ -0.0000768600000000, -0.0002269500000000, 0.0001341000000000 ] - [ -0.0001599600000000, 0.0001600100000000, 0.0002515700000000 ] - [ 0.0001820100000000, 0.0000882400000000, 0.0003022800000000 ] - [ 0.0001436900000000, 0.0001681100000000, -0.0002933400000000 ] - [ 0.0001499700000000, -0.0001072200000000, -0.0003196900000000 ] - [ -0.0002325700000000, -0.0000661200000000, -0.0002357200000000 ] - [ -0.0008378900000000, 0.0002392700000000, 0.0001091600000000 ] - [ 0.0006363300000000, 0.0005998500000000, 0.0000946000000000 ] - [ 0.0002149400000000, -0.0008366100000000, 0.0000822100000000 ] - [ 0.0007612600000000, -0.0003710400000000, 0.0000928200000000 ] - [ -0.0005717800000000, -0.0009057800000000, -0.0004782800000000 ] - [ -0.0002900500000000, 0.0008235800000000, -0.0000891700000000 ] - [ 0.0000021000000000, -0.0004759700000000, -0.0001028100000000 ] - [ -0.0003819600000000, 0.0002292700000000, -0.0000050700000000 ] - [ 0.0002340900000000, 0.0001270800000000, 0.0000087100000000 ] - [ 0.0000467400000000, 0.0003627300000000, -0.0000281900000000 ] - [ 0.0003089100000000, -0.0002111300000000, -0.0000072800000000 ] - [ -0.0003136900000000, -0.0001820400000000, 0.0000229600000000 ] - [ -0.0032043400000000, -0.0103299000000000, -0.0081024700000000 ] - [ -0.0002141500000000, 0.0003014200000000, 0.0001154300000000 ] - [ -0.0006240600000000, 0.0012981700000000, 0.0001841300000000 ] - [ -0.0000063000000000, -0.0002339200000000, 0.0001243300000000 ] - [ -0.0000762800000000, 0.0000126300000000, 0.0001854600000000 ] - [ -0.0000045700000000, 0.0000949200000000, 0.0001674600000000 ] - [ 0.0001854700000000, -0.0000924100000000, -0.0000171400000000 ] - [ 0.0005198500000000, 0.0011496400000000, -0.0003402900000000 ] - [ 0.0003304300000000, -0.0001031300000000, 0.0001947600000000 ] - [ -0.0001289800000000, 0.0010057500000000, 0.0002223300000000 ] - [ 0.0010951000000000, -0.0004338400000000, 0.0010130000000000 ] - [ 0.0002264900000000, -0.0001981900000000, -0.0002474500000000 ] - [ -0.0004992900000000, -0.0020269600000000, -0.0008781800000000 ] - [ -0.0011714000000000, 0.0020147600000000, -0.0016837900000000 ] - [ 0.0351518900000000, -0.0335434400000000, 0.0097241600000000 ] - [ 0.0006242000000000, -0.0001174200000000, 0.0002264600000000 ] - [ -0.0004625400000000, -0.0003911200000000, 0.0002397400000000 ] - [ -0.0003183900000000, 0.0004875100000000, 0.0000201000000000 ] - [ -0.0011827500000000, -0.0069702500000000, 0.0063035700000000 ] - [ -0.0004400600000000, -0.0007073700000000, -0.0000046500000000 ] - [ -0.0018075400000000, 0.0005088000000000, 0.0002120300000000 ] - [ 0.0006141900000000, -0.0017226600000000, -0.0003708700000000 ] - [ -0.0001852600000000, 0.0003084900000000, 0.0002864300000000 ] - [ -0.0000178900000000, 0.0001148200000000, 0.0004797300000000 ] - [ 0.0000075200000000, -0.0000452400000000, -0.0001271400000000 ] - [ -0.0000396200000000, 0.0000839500000000, -0.0000856400000000 ] - [ 0.0000991100000000, -0.0000092900000000, -0.0001526400000000 ] - [ 0.0000200600000000, 0.0000444500000000, 0.0001611500000000 ] - [ 0.0000303100000000, -0.0000477500000000, 0.0001578900000000 ] - [ -0.0000395800000000, -0.0000017100000000, 0.0001616800000000 ] - [ -0.0000045700000000, -0.0003194900000000, -0.0001377200000000 ] - [ -0.0002724900000000, 0.0001514000000000, -0.0001373800000000 ] - [ 0.0002668800000000, 0.0001746100000000, -0.0001373200000000 ] - [ 0.0000028000000000, 0.0003299800000000, 0.0001719900000000 ] - [ 0.0002743800000000, -0.0001516500000000, 0.0001642400000000 ] - [ -0.0002725900000000, -0.0001787500000000, 0.0001702700000000 ] - [ -0.0006138000000000, -0.0002977000000000, -0.0002235300000000 ] - [ 0.0000657900000000, 0.0007090100000000, -0.0002089600000000 ] - [ 0.0005755100000000, -0.0003803700000000, -0.0002528800000000 ] - [ 0.0006277300000000, 0.0002908400000000, 0.0002638400000000 ] - [ -0.0000623300000000, -0.0006839400000000, 0.0002677200000000 ] - [ -0.0005666800000000, 0.0003960400000000, 0.0002637200000000 ] - [ 0.0001963100000000, 0.0002859700000000, -0.0001305600000000 ] - [ 0.0001487100000000, -0.0002983400000000, -0.0001154300000000 ] - [ -0.0003392500000000, 0.0000253900000000, -0.0001332100000000 ] - [ -0.0001877100000000, -0.0002902700000000, 0.0001683500000000 ] - [ -0.0001551500000000, 0.0003043100000000, 0.0001713000000000 ] - [ 0.0003467500000000, -0.0000152800000000, 0.0001683000000000 ] - [ -0.0000217800000000, 0.0000790600000000, -0.0001413500000000 ] - [ 0.0000826200000000, -0.0000183100000000, -0.0001307300000000 ] - [ -0.0000661200000000, -0.0000759500000000, -0.0001278100000000 ] - [ 0.0005519500000000, 0.0000379700000000, -0.0000733200000000 ] - [ -0.0002202500000000, 0.0012177400000000, 0.0029016200000000 ] - [ -0.0000181800000000, 0.0000524300000000, -0.0004595100000000 ] - [ -0.0000665800000000, -0.0003115900000000, -0.0000728000000000 ] - [ -0.0002420500000000, 0.0001833400000000, -0.0001372300000000 ] - [ 0.0004194600000000, 0.0000911300000000, -0.0001329300000000 ] - [ -0.0000309100000000, 0.0004736500000000, 0.0002529600000000 ] - [ 0.0004660400000000, -0.0002202500000000, 0.0002006100000000 ] - [ -0.0005252400000000, -0.0002159400000000, 0.0001859000000000 ] - [ -0.0006439700000000, 0.0000227900000000, -0.0002058400000000 ] - [ 0.0003025400000000, 0.0005403200000000, -0.0001906500000000 ] - [ 0.0003010900000000, -0.0005408000000000, -0.0001989400000000 ] - [ 0.0009367400000000, 0.0001201000000000, 0.0002710900000000 ] - [ -0.0001752400000000, -0.0005436400000000, 0.0007172900000000 ] - [ 0.0000522200000000, 0.0004945300000000, 0.0000608300000000 ] - [ 0.0002205000000000, 0.0002150200000000, -0.0001996900000000 ] - [ 0.0000312500000000, -0.0002910400000000, -0.0001472400000000 ] - [ -0.0003203000000000, 0.0000487500000000, -0.0001450300000000 ] - [ -0.0000837800000000, -0.0000802600000000, 0.0000211100000000 ] - [ -0.0002380700000000, 0.0004252200000000, 0.0004409200000000 ] - [ 0.0002500800000000, -0.0002467800000000, 0.0003351100000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000148700000000, -0.0000034400000000, -0.0006046900000000 ] - [ 0.0000506500000000, 0.0001101400000000, 0.0010560800000000 ] - [ -0.0001347300000000, 0.0001026800000000, 0.0002592300000000 ] - [ 0.0003710200000000, -0.0000507400000000, -0.0001619800000000 ] - [ 0.0000002700000000, -0.0000001100000000, -0.0006470000000000 ] - [ -0.0000059700000000, 0.0000044200000000, 0.0004078200000000 ] - [ 0.0000126800000000, -0.0000013400000000, -0.0002334000000000 ] - [ -0.0000004700000000, -0.0000007200000000, 0.0000008800000000 ] - [ -0.0001460100000000, 0.0000735900000000, -0.0006972100000000 ] - [ -0.0000097800000000, 0.0000051700000000, 0.0004089000000000 ] - [ -0.0000007600000000, -0.0000012900000000, -0.0002291600000000 ] - [ 0.0002687400000000, -0.0002664700000000, 0.0000444700000000 ] - [ 0.0001866300000000, -0.0000583400000000, 0.0001104100000000 ] - [ -0.0015197200000000, 0.0004309800000000, -0.0011533700000000 ] - [ -0.0010832500000000, -0.0000474000000000, 0.0002848900000000 ] - [ -0.0001367700000000, 0.0000268400000000, -0.0000672700000000 ] - [ -0.0000728700000000, 0.0014435600000000, 0.0002224500000000 ] - [ -0.0000942900000000, 0.0002306400000000, -0.0004350100000000 ] - [ 0.0002315600000000, -0.0001073500000000, -0.0003827400000000 ] - [ -0.0001501300000000, 0.0000137900000000, -0.0001729100000000 ] - [ 0.0001518500000000, -0.0004647200000000, 0.0000637500000000 ] - [ -0.0000115600000000, 0.0000429500000000, 0.0002012200000000 ] - [ 0.0002077700000000, 0.0007036700000000, 0.0000474200000000 ] - [ 0.0021225800000000, 0.0015458100000000, 0.0016055700000000 ] - [ 0.0002687200000000, 0.0000172200000000, 0.0000912200000000 ] - [ -0.0002014900000000, -0.0006738100000000, -0.0004174800000000 ] - [ 0.0000368700000000, 0.0001391300000000, -0.0001064700000000 ] - [ 0.0001691000000000, -0.0001509300000000, -0.0001270900000000 ] - [ -0.0001658900000000, 0.0000139800000000, -0.0001317700000000 ] - [ -0.0013698800000000, -0.0032039300000000, 0.0019388900000000 ] - [ -0.0000016600000000, 0.0002640600000000, -0.0002575800000000 ] - [ 0.0000715300000000, 0.0000526700000000, 0.0000056500000000 ] - [ -0.0000567600000000, -0.0002531900000000, 0.0000268200000000 ] - [ -0.0003003200000000, 0.0002367300000000, 0.0002635800000000 ] - [ -0.0004427000000000, -0.0017864100000000, 0.0017177600000000 ] - [ -0.0000500600000000, 0.0002881000000000, -0.0004547500000000 ] - [ 0.0000290100000000, -0.0001720900000000, -0.0005603300000000 ] - [ -0.0009467300000000, 0.0002082100000000, 0.0040238600000000 ] - [ 0.0078635900000000, 0.0100802800000000, -0.0728833100000000 ] - [ 0.0003350400000000, 0.0005726000000000, -0.0005553000000000 ] - [ 0.0001922100000000, -0.0006765200000000, -0.0005542600000000 ] - [ 0.0009772000000000, -0.0003907400000000, 0.0003428800000000 ] - [ -0.0005686700000000, -0.0005865400000000, -0.0000616600000000 ] - [ -0.0001781900000000, 0.0007897500000000, -0.0000623700000000 ] - [ -0.0000534700000000, -0.0002766100000000, 0.0000012300000000 ] - [ -0.0002748800000000, -0.0000271900000000, 0.0001317900000000 ] - [ 0.0006763400000000, 0.0001438200000000, 0.0001879300000000 ] - [ -0.0000258200000000, 0.0003779600000000, -0.0003392500000000 ] - [ -0.0006716700000000, 0.0018772800000000, 0.0006806500000000 ] - [ -0.0017723200000000, -0.0006771200000000, 0.0009871800000000 ] - [ 0.0000012800000000, -0.0000017300000000, 0.0000656800000000 ] - [ -0.0000049800000000, -0.0000020000000000, 0.0001994000000000 ] - [ 0.0001077100000000, -0.0002856800000000, 0.0007467300000000 ] - [ -0.0003897000000000, 0.0000389800000000, 0.0007958000000000 ] - [ 0.0002064400000000, 0.0002423800000000, 0.0007130900000000 ] - [ -0.0000307600000000, 0.0002392500000000, -0.0003956500000000 ] - [ 0.0002269000000000, -0.0000979900000000, -0.0004054700000000 ] - [ -0.0001975900000000, -0.0001490300000000, -0.0004053800000000 ] - [ 0.0003353100000000, -0.0003514900000000, 0.0002669200000000 ] - [ -0.0004689400000000, -0.0001102500000000, 0.0002683000000000 ] - [ 0.0001365200000000, 0.0004641600000000, 0.0002697300000000 ] - [ -0.0002574100000000, 0.0002689100000000, 0.0000214300000000 ] - [ 0.0003599400000000, 0.0000826300000000, 0.0000205800000000 ] - [ -0.0001066600000000, -0.0003541100000000, 0.0000201500000000 ] - [ 0.0000493800000000, 0.0001719200000000, -0.0001271800000000 ] - [ 0.0001213100000000, -0.0001288500000000, -0.0001213600000000 ] - [ -0.0001700600000000, -0.0000279100000000, -0.0001244600000000 ] - [ -0.0000595800000000, -0.0002493300000000, 0.0004033000000000 ] - [ -0.0000743800000000, 0.0001717500000000, 0.0004531400000000 ] - [ 0.0002437600000000, 0.0000257200000000, 0.0004138400000000 ] - [ -0.0000690800000000, -0.0001973900000000, 0.0004504800000000 ] - [ -0.0001434700000000, 0.0001523000000000, 0.0004491000000000 ] - [ 0.0002056500000000, 0.0000433800000000, 0.0004452900000000 ] - [ 0.0000337700000000, 0.0001790900000000, -0.0000742000000000 ] - [ 0.0001375600000000, -0.0001140400000000, -0.0000910000000000 ] - [ -0.0001653900000000, -0.0000674900000000, -0.0000906400000000 ] - [ -0.0008778000000000, 0.0002331100000000, 0.0002800300000000 ] - [ 0.0006663900000000, 0.0006916000000000, 0.0003411500000000 ] - [ 0.0002265200000000, -0.0008834900000000, 0.0002840500000000 ] - [ 0.0008447700000000, -0.0002326900000000, 0.0000807000000000 ] - [ -0.0006201900000000, -0.0006141800000000, 0.0000835500000000 ] - [ -0.0002220700000000, 0.0008436500000000, 0.0000834200000000 ] - [ -0.0001068500000000, -0.0003828000000000, 0.0001724100000000 ] - [ -0.0002809200000000, 0.0002813800000000, 0.0001685700000000 ] - [ 0.0003869200000000, 0.0001023800000000, 0.0001699000000000 ] - [ -0.0000357300000000, 0.0004065500000000, 0.0001600000000000 ] - [ 0.0003683600000000, -0.0001723700000000, 0.0001592400000000 ] - [ -0.0003259700000000, -0.0002295300000000, 0.0001554100000000 ] - [ -0.0002047600000000, -0.0001106300000000, 0.0000472900000000 ] - [ -0.0000034000000000, 0.0000192000000000, 0.0001956700000000 ] - [ 0.0001295800000000, -0.0003083200000000, 0.0007493000000000 ] - [ -0.0003368300000000, 0.0000463600000000, 0.0007497900000000 ] - [ 0.0002086600000000, 0.0002575000000000, 0.0007456000000000 ] - [ 0.0001095200000000, 0.0001057700000000, -0.0008628600000000 ] - [ -0.0019831800000000, 0.0010555000000000, 0.0042718700000000 ] - [ -0.0002725600000000, -0.0002450200000000, -0.0008824600000000 ] - [ 0.0003877000000000, -0.0003735900000000, 0.0002926000000000 ] - [ -0.0004530700000000, -0.0000332200000000, 0.0001582500000000 ] - [ 0.0001255800000000, 0.0004397000000000, 0.0002152500000000 ] - [ -0.0002277200000000, 0.0002694100000000, 0.0000186800000000 ] - [ 0.0003951000000000, 0.0001125000000000, -0.0000299800000000 ] - [ -0.0000802300000000, -0.0003832800000000, 0.0000358900000000 ] - [ 0.0013005700000000, -0.0020780500000000, -0.0006825200000000 ] - [ 0.0025021200000000, 0.0016159600000000, 0.0009949400000000 ] - [ -0.0003125400000000, -0.0000578400000000, -0.0007290500000000 ] - [ -0.0000870200000000, -0.0002163800000000, 0.0004383800000000 ] - [ -0.0001456800000000, 0.0001844700000000, 0.0004364100000000 ] - [ 0.0002322500000000, 0.0000286200000000, 0.0004427200000000 ] - [ -0.0000804600000000, -0.0001904600000000, 0.0004766200000000 ] - [ -0.0002481900000000, 0.0001155300000000, 0.0004336300000000 ] - [ 0.0002614100000000, 0.0000515700000000, 0.0004253500000000 ] - [ 0.0000596400000000, 0.0002400600000000, -0.0001028300000000 ] - [ 0.0000380900000000, -0.0003207800000000, 0.0000281300000000 ] - [ -0.0001609400000000, -0.0000800800000000, -0.0001020400000000 ] - [ -0.0008594600000000, 0.0002439900000000, 0.0002879100000000 ] - [ 0.0006375300000000, 0.0006263100000000, 0.0002916900000000 ] - [ 0.0002062000000000, -0.0008887900000000, 0.0003487500000000 ] - [ 0.0009290500000000, -0.0004372300000000, -0.0000857200000000 ] - [ -0.0006580100000000, -0.0003426600000000, 0.0000894300000000 ] - [ -0.0005574900000000, 0.0006303200000000, 0.0000867900000000 ] - [ -0.0001146700000000, -0.0003084800000000, 0.0000895700000000 ] - [ -0.0003107800000000, 0.0002520800000000, 0.0000640200000000 ] - [ 0.0004737000000000, 0.0002991100000000, 0.0000815000000000 ] - [ -0.0000434000000000, 0.0003867100000000, 0.0001767000000000 ] - [ 0.0003011700000000, -0.0001779700000000, 0.0001461200000000 ] - [ -0.0003056200000000, -0.0002276700000000, 0.0001641400000000 ] - [ 0.0068721900000000, 0.0134283600000000, 0.0186460300000000 ] - [ 0.0005273100000000, 0.0000515200000000, 0.0001442500000000 ] - [ -0.0002827600000000, 0.0008638500000000, 0.0012268200000000 ] - [ -0.0000171600000000, -0.0001010900000000, -0.0002003700000000 ] - [ -0.0000839000000000, -0.0000064200000000, -0.0000248200000000 ] - [ 0.0000349400000000, 0.0000805000000000, -0.0000039900000000 ] - [ 0.0000586200000000, -0.0007228500000000, -0.0003631100000000 ] - [ 0.0003616400000000, 0.0012981500000000, -0.0000711100000000 ] - [ 0.0003028600000000, 0.0008272800000000, -0.0001914500000000 ] - [ 0.0000684800000000, 0.0004302400000000, 0.0005663300000000 ] - [ -0.0010217400000000, -0.0016907600000000, 0.0003720100000000 ] - [ 0.0001610000000000, -0.0002977700000000, -0.0004077900000000 ] - [ -0.0005444200000000, -0.0003564000000000, 0.0023631200000000 ] - [ 0.0003274100000000, 0.0000766700000000, 0.0008058100000000 ] - [ 0.0065160800000000, -0.0071072000000000, 0.0058803200000000 ] - [ 0.0004845700000000, 0.0000323300000000, -0.0000452400000000 ] - [ -0.0004494300000000, -0.0004471900000000, 0.0000475600000000 ] - [ -0.0004752600000000, 0.0007390500000000, -0.0000320300000000 ] - [ -0.0179282800000000, -0.0176318900000000, 0.0304772500000000 ] - [ 0.0001653900000000, -0.0001233900000000, 0.0005670600000000 ] - [ 0.0006845700000000, 0.0000314900000000, 0.0003844700000000 ] - [ -0.0013026800000000, 0.0002630700000000, -0.0009425100000000 ] - [ -0.0000169100000000, 0.0002271400000000, 0.0002561500000000 ] - [ 0.0001177800000000, 0.0001164000000000, 0.0002050000000000 ] - [ 0.0000061700000000, -0.0000352000000000, -0.0003495200000000 ] - [ -0.0000345100000000, -0.0001773000000000, -0.0004485000000000 ] - [ 0.0001736400000000, 0.0000415700000000, -0.0003626700000000 ] - [ 0.0000400100000000, 0.0000009600000000, -0.0000858800000000 ] - [ -0.0000236100000000, -0.0000219000000000, -0.0000966100000000 ] - [ -0.0000214700000000, 0.0000343000000000, -0.0000866100000000 ] - [ 0.0000088200000000, -0.0003518300000000, -0.0003767500000000 ] - [ -0.0003075300000000, 0.0001653600000000, -0.0003694700000000 ] - [ 0.0002938200000000, 0.0001919500000000, -0.0003753600000000 ] - [ 0.0000018400000000, 0.0002862500000000, -0.0000687800000000 ] - [ 0.0002507000000000, -0.0001365000000000, -0.0000699600000000 ] - [ -0.0002548800000000, -0.0001557400000000, -0.0000689700000000 ] - [ -0.0006711100000000, -0.0002973900000000, -0.0004599600000000 ] - [ 0.0000801300000000, 0.0006926300000000, -0.0004789600000000 ] - [ 0.0005495200000000, -0.0004045800000000, -0.0004944300000000 ] - [ 0.0006152500000000, 0.0003004700000000, 0.0000138000000000 ] - [ -0.0000510200000000, -0.0006800100000000, 0.0000072400000000 ] - [ -0.0005674400000000, 0.0003865600000000, 0.0000120300000000 ] - [ 0.0001558900000000, 0.0003084800000000, -0.0004268100000000 ] - [ 0.0002010900000000, -0.0003221100000000, -0.0004540700000000 ] - [ -0.0003390200000000, -0.0000038000000000, -0.0004405800000000 ] - [ -0.0002205900000000, -0.0002675400000000, -0.0001408700000000 ] - [ -0.0001205300000000, 0.0003270600000000, -0.0001479700000000 ] - [ 0.0003471600000000, -0.0000521200000000, -0.0001443200000000 ] - [ 0.0000011300000000, 0.0000440300000000, -0.0003753500000000 ] - [ 0.0000400400000000, -0.0000290400000000, -0.0003704300000000 ] - [ -0.0000102600000000, -0.0000295600000000, -0.0003885400000000 ] - [ 0.0000036300000000, 0.0000683800000000, 0.0005570600000000 ] - [ -0.0001950000000000, -0.0005292200000000, 0.0003553600000000 ] - [ 0.0008029700000000, 0.0006476700000000, 0.0005381000000000 ] - [ 0.0000083600000000, -0.0004030900000000, -0.0002818200000000 ] - [ -0.0003693900000000, 0.0002684200000000, -0.0003790700000000 ] - [ 0.0003111300000000, 0.0000908300000000, -0.0003697200000000 ] - [ -0.0001123100000000, 0.0004822500000000, -0.0000873700000000 ] - [ 0.0003958100000000, -0.0001427200000000, 0.0000769500000000 ] - [ -0.0004413700000000, -0.0002858600000000, -0.0000091000000000 ] - [ -0.0006369200000000, 0.0000020200000000, -0.0004467700000000 ] - [ 0.0003275200000000, 0.0005217400000000, -0.0004636300000000 ] - [ 0.0003104300000000, -0.0005510100000000, -0.0004467200000000 ] - [ 0.0003325300000000, -0.0004026100000000, 0.0004389600000000 ] - [ 0.0001675800000000, -0.0004867200000000, 0.0005365500000000 ] - [ -0.0006533400000000, 0.0005335500000000, -0.0004553900000000 ] - [ 0.0001688100000000, 0.0002425100000000, -0.0004643100000000 ] - [ 0.0001341600000000, -0.0002795400000000, -0.0004801100000000 ] - [ -0.0001696800000000, 0.0001686600000000, -0.0005628200000000 ] - [ -0.0003815700000000, -0.0002258600000000, 0.0000602800000000 ] - [ 0.0001480400000000, 0.0001268800000000, -0.0001516700000000 ] - [ 0.0004806100000000, 0.0002516300000000, -0.0002039200000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000173400000000, 0.0000018300000000, -0.0004419200000000 ] - [ -0.0000495900000000, -0.0001080400000000, -0.0000098000000000 ] - [ 0.0001319200000000, -0.0000946700000000, -0.0004878600000000 ] - [ -0.0003694700000000, 0.0000502000000000, 0.0003851500000000 ] - [ 0.0000004800000000, -0.0000006500000000, -0.0004015900000000 ] - [ 0.0000049400000000, -0.0000035600000000, 0.0006402700000000 ] - [ -0.0000119100000000, 0.0000029700000000, 0.0000068200000000 ] - [ -0.0000002800000000, -0.0000009300000000, 0.0002251100000000 ] - [ 0.0001450900000000, -0.0000747400000000, -0.0003494800000000 ] - [ 0.0000073700000000, -0.0000035900000000, 0.0006374100000000 ] - [ 0.0000028900000000, 0.0000012600000000, 0.0000031600000000 ] - [ -0.0002700100000000, 0.0002650700000000, 0.0001840400000000 ] - [ -0.0001847900000000, 0.0000576600000000, -0.0002248900000000 ] - [ 0.0015405000000000, -0.0004324500000000, 0.0012971100000000 ] - [ 0.0012478900000000, -0.0005251400000000, 0.0008667200000000 ] - [ -0.0004351000000000, 0.0001258300000000, 0.0012232400000000 ] - [ 0.0004858000000000, -0.0010071400000000, 0.0009279800000000 ] - [ -0.0000577000000000, 0.0003120800000000, -0.0007208100000000 ] - [ 0.0003130800000000, -0.0000335100000000, -0.0007728100000000 ] - [ -0.0002434700000000, -0.0004144800000000, -0.0009785200000000 ] - [ 0.0004605200000000, -0.0001667900000000, 0.0001767900000000 ] - [ -0.0008377100000000, -0.0002556400000000, 0.0000423900000000 ] - [ 0.0000310700000000, 0.0001474900000000, 0.0001891700000000 ] - [ -0.0026765300000000, -0.0009015200000000, -0.0018422300000000 ] - [ 0.0005594600000000, 0.0001832200000000, -0.0003514500000000 ] - [ -0.0000393300000000, -0.0001489800000000, 0.0001590000000000 ] - [ 0.0001055700000000, 0.0002577900000000, -0.0004560500000000 ] - [ 0.0001039900000000, -0.0001686900000000, -0.0004352500000000 ] - [ -0.0002404300000000, -0.0000780400000000, -0.0004340700000000 ] - [ 0.0012785100000000, 0.0028546700000000, -0.0013655300000000 ] - [ -0.0002811700000000, 0.0000160000000000, 0.0008362700000000 ] - [ 0.0003055400000000, 0.0000426900000000, 0.0005766500000000 ] - [ -0.0001010900000000, -0.0001674800000000, 0.0005095600000000 ] - [ 0.0000179100000000, 0.0001058600000000, 0.0002741600000000 ] - [ 0.0008882900000000, 0.0018341000000000, -0.0011474300000000 ] - [ 0.0001632500000000, 0.0001449000000000, -0.0000795000000000 ] - [ 0.0002895800000000, -0.0001386900000000, 0.0000220900000000 ] - [ 0.0005000700000000, -0.0003049300000000, -0.0044699300000000 ] - [ -0.0087512600000000, -0.0081568500000000, 0.0726761500000000 ] - [ 0.0009513100000000, 0.0006745200000000, 0.0007627400000000 ] - [ 0.0002507300000000, -0.0010565300000000, 0.0007639100000000 ] - [ 0.0007024500000000, -0.0000933300000000, -0.0005655300000000 ] - [ -0.0006857200000000, -0.0006213400000000, -0.0001624100000000 ] - [ -0.0002444500000000, 0.0008986700000000, -0.0001627800000000 ] - [ -0.0000111700000000, -0.0004518000000000, 0.0000086000000000 ] - [ -0.0003253800000000, 0.0004451100000000, -0.0001186300000000 ] - [ -0.0000042200000000, 0.0001708500000000, -0.0001748500000000 ] - [ 0.0000789400000000, 0.0003723700000000, 0.0003148400000000 ] - [ 0.0013134500000000, -0.0023079300000000, -0.0007238200000000 ] - [ 0.0010755700000000, 0.0003241000000000, -0.0010095900000000 ] - [ -0.0000006700000000, 0.0000019300000000, -0.0002103600000000 ] - [ 0.0000042900000000, 0.0000018300000000, -0.0000543100000000 ] - [ 0.0000469600000000, -0.0002811000000000, 0.0004145800000000 ] - [ -0.0001777600000000, 0.0001113100000000, 0.0003665300000000 ] - [ 0.0002068900000000, 0.0001758800000000, 0.0004458500000000 ] - [ -0.0001243300000000, 0.0003280300000000, -0.0007654900000000 ] - [ 0.0003394800000000, -0.0000527600000000, -0.0007550400000000 ] - [ -0.0002156800000000, -0.0002695300000000, -0.0007532700000000 ] - [ 0.0002535500000000, -0.0002662100000000, -0.0000160600000000 ] - [ -0.0003582000000000, -0.0000882200000000, -0.0000167000000000 ] - [ 0.0001042600000000, 0.0003534200000000, -0.0000207200000000 ] - [ -0.0003314400000000, 0.0003485900000000, -0.0002715100000000 ] - [ 0.0004668900000000, 0.0001156900000000, -0.0002718700000000 ] - [ -0.0001342300000000, -0.0004638200000000, -0.0002689400000000 ] - [ 0.0000928700000000, 0.0002070800000000, -0.0004411900000000 ] - [ 0.0001361000000000, -0.0001814200000000, -0.0004476700000000 ] - [ -0.0002199800000000, -0.0000270400000000, -0.0004482000000000 ] - [ -0.0000823100000000, -0.0001305500000000, 0.0001653200000000 ] - [ -0.0001818400000000, 0.0001383300000000, 0.0001164400000000 ] - [ 0.0001466800000000, 0.0000293700000000, 0.0001591800000000 ] - [ -0.0000277100000000, -0.0001828900000000, 0.0000852500000000 ] - [ -0.0001375100000000, 0.0001184000000000, 0.0000885300000000 ] - [ 0.0001652900000000, 0.0000676300000000, 0.0000915300000000 ] - [ 0.0000627900000000, 0.0002013900000000, -0.0004606000000000 ] - [ 0.0001431300000000, -0.0001566000000000, -0.0004459700000000 ] - [ -0.0002054000000000, -0.0000432300000000, -0.0004457200000000 ] - [ -0.0008501700000000, 0.0002395700000000, -0.0000715500000000 ] - [ 0.0006031100000000, 0.0005635700000000, -0.0001316600000000 ] - [ 0.0002293200000000, -0.0008415400000000, -0.0000748500000000 ] - [ 0.0008831100000000, -0.0002398300000000, -0.0002884700000000 ] - [ -0.0006492400000000, -0.0006404400000000, -0.0002917700000000 ] - [ -0.0002339100000000, 0.0008811700000000, -0.0002917000000000 ] - [ 0.0000390300000000, -0.0004015600000000, -0.0001636700000000 ] - [ -0.0003661000000000, 0.0001687700000000, -0.0001596700000000 ] - [ 0.0003322300000000, 0.0002356800000000, -0.0001593000000000 ] - [ 0.0001032000000000, 0.0003779600000000, -0.0001679200000000 ] - [ 0.0002790000000000, -0.0002776600000000, -0.0001671800000000 ] - [ -0.0003928900000000, -0.0001086900000000, -0.0001655900000000 ] - [ 0.0002080400000000, 0.0001094900000000, -0.0001943000000000 ] - [ 0.0000024400000000, -0.0000196000000000, -0.0000807900000000 ] - [ 0.0000213000000000, -0.0002346000000000, 0.0004072100000000 ] - [ -0.0002077000000000, 0.0000954200000000, 0.0004062100000000 ] - [ 0.0001851800000000, 0.0001458300000000, 0.0004077000000000 ] - [ -0.0002669300000000, 0.0004668400000000, -0.0002915500000000 ] - [ 0.0025772600000000, -0.0012241900000000, -0.0055046000000000 ] - [ -0.0001437600000000, -0.0001753000000000, -0.0002696900000000 ] - [ 0.0002064600000000, -0.0002445600000000, -0.0000345500000000 ] - [ -0.0003776200000000, -0.0001688600000000, 0.0001005100000000 ] - [ 0.0001141700000000, 0.0003830200000000, 0.0000404300000000 ] - [ -0.0003862700000000, 0.0003614000000000, -0.0002592600000000 ] - [ 0.0004575300000000, 0.0001021200000000, -0.0002118400000000 ] - [ -0.0001589800000000, -0.0004657600000000, -0.0002744700000000 ] - [ -0.0012097100000000, 0.0024823500000000, 0.0000842400000000 ] - [ -0.0022347200000000, -0.0019030800000000, -0.0015844000000000 ] - [ -0.0000626200000000, -0.0000373800000000, 0.0001466800000000 ] - [ -0.0000554600000000, -0.0001813600000000, 0.0001248000000000 ] - [ -0.0001273700000000, 0.0001351900000000, 0.0001265300000000 ] - [ 0.0001740600000000, 0.0000356900000000, 0.0001237400000000 ] - [ -0.0000320200000000, -0.0002422300000000, 0.0000568300000000 ] - [ -0.0000693600000000, 0.0001954200000000, 0.0001025200000000 ] - [ 0.0001626500000000, 0.0000717300000000, 0.0001111900000000 ] - [ 0.0000987100000000, 0.0001806900000000, -0.0004346300000000 ] - [ 0.0002456700000000, -0.0000228700000000, -0.0005680900000000 ] - [ -0.0002765500000000, 0.0000038600000000, -0.0004382300000000 ] - [ -0.0008193200000000, 0.0002380200000000, -0.0000635800000000 ] - [ 0.0006174000000000, 0.0005814100000000, -0.0000671100000000 ] - [ 0.0002165400000000, -0.0007998700000000, -0.0001239800000000 ] - [ 0.0007981600000000, -0.0000524100000000, -0.0001234500000000 ] - [ -0.0006241900000000, -0.0009026000000000, -0.0002970000000000 ] - [ 0.0001157900000000, 0.0011038700000000, -0.0002998100000000 ] - [ 0.0000649300000000, -0.0004425500000000, -0.0000673600000000 ] - [ -0.0003205900000000, 0.0001672200000000, -0.0000401100000000 ] - [ 0.0002084800000000, 0.0000403600000000, -0.0000564900000000 ] - [ 0.0001080400000000, 0.0003415500000000, -0.0001873200000000 ] - [ 0.0003004700000000, -0.0002423400000000, -0.0001574200000000 ] - [ -0.0003633700000000, -0.0000858800000000, -0.0001766000000000 ] - [ -0.0075713600000000, -0.0140439500000000, -0.0193795500000000 ] - [ -0.0002592800000000, 0.0003002700000000, -0.0003060100000000 ] - [ 0.0004612100000000, -0.0012707600000000, -0.0013968100000000 ] - [ 0.0000610200000000, -0.0000521100000000, 0.0004992100000000 ] - [ -0.0000802600000000, 0.0000528700000000, 0.0003189200000000 ] - [ 0.0000790700000000, 0.0000592400000000, 0.0003024000000000 ] - [ 0.0000156000000000, -0.0002503400000000, -0.0000490400000000 ] - [ -0.0012212600000000, -0.0008483000000000, -0.0003443600000000 ] - [ 0.0005231100000000, -0.0003012700000000, -0.0002249600000000 ] - [ 0.0000671300000000, 0.0003230400000000, -0.0002813700000000 ] - [ 0.0015894900000000, 0.0012038500000000, -0.0000781000000000 ] - [ -0.0008665800000000, 0.0000459600000000, 0.0006936500000000 ] - [ -0.0007290400000000, 0.0000126800000000, -0.0029024500000000 ] - [ 0.0000150900000000, 0.0011968200000000, -0.0013539000000000 ] - [ -0.0055674900000000, 0.0061246500000000, -0.0063486700000000 ] - [ 0.0007579500000000, -0.0000435600000000, 0.0004686200000000 ] - [ -0.0001797700000000, -0.0006191100000000, 0.0003783400000000 ] - [ -0.0001383900000000, 0.0003499400000000, 0.0004548800000000 ] - [ 0.0176543400000000, 0.0171816900000000, -0.0299382800000000 ] - [ -0.0000926100000000, -0.0003830500000000, -0.0009369500000000 ] - [ -0.0011667500000000, 0.0001503000000000, -0.0007524200000000 ] - [ 0.0008738200000000, -0.0006857900000000, 0.0013148400000000 ] - [ -0.0001395600000000, 0.0003280800000000, 0.0001281700000000 ] - [ 0.0004451800000000, -0.0002629100000000, 0.0001813300000000 ] - [ -0.0000479900000000, -0.0000418500000000, 0.0000626900000000 ] - [ -0.0000184000000000, 0.0002480200000000, 0.0001655700000000 ] - [ -0.0000830600000000, -0.0000434000000000, 0.0000771500000000 ] - [ 0.0000010300000000, 0.0000759100000000, 0.0003719000000000 ] - [ 0.0000764900000000, -0.0000505300000000, 0.0003774100000000 ] - [ -0.0000684000000000, -0.0000320800000000, 0.0003708000000000 ] - [ -0.0000063200000000, -0.0002897400000000, 0.0000714700000000 ] - [ -0.0002458200000000, 0.0001401100000000, 0.0000648200000000 ] - [ 0.0002480300000000, 0.0001588000000000, 0.0000689400000000 ] - [ -0.0000041800000000, 0.0003551000000000, 0.0003730700000000 ] - [ 0.0003022100000000, -0.0001678400000000, 0.0003735600000000 ] - [ -0.0002873000000000, -0.0001949100000000, 0.0003744900000000 ] - [ -0.0005848800000000, -0.0002880900000000, -0.0000346400000000 ] - [ 0.0000438200000000, 0.0006736700000000, -0.0000179300000000 ] - [ 0.0005825700000000, -0.0003897000000000, 0.0000007700000000 ] - [ 0.0006403200000000, 0.0002850600000000, 0.0004799400000000 ] - [ -0.0000727700000000, -0.0006862000000000, 0.0004887200000000 ] - [ -0.0005647300000000, 0.0004075200000000, 0.0004804900000000 ] - [ 0.0002248300000000, 0.0002685600000000, 0.0001313700000000 ] - [ 0.0001060800000000, -0.0002957300000000, 0.0001579400000000 ] - [ -0.0003515300000000, 0.0000440300000000, 0.0001439200000000 ] - [ -0.0001603000000000, -0.0003094300000000, 0.0004351900000000 ] - [ -0.0001864600000000, 0.0002907700000000, 0.0004428900000000 ] - [ 0.0003435500000000, 0.0000118700000000, 0.0004395600000000 ] - [ -0.0000450100000000, 0.0001100400000000, 0.0000749200000000 ] - [ 0.0001242200000000, -0.0000173900000000, 0.0000751600000000 ] - [ -0.0001041100000000, -0.0001099300000000, 0.0000907300000000 ] - [ 0.0004556600000000, -0.0001287200000000, -0.0003895000000000 ] - [ -0.0000789200000000, 0.0001760600000000, -0.0001954000000000 ] - [ -0.0009580300000000, -0.0002324400000000, -0.0003651400000000 ] - [ -0.0001455000000000, -0.0003504800000000, -0.0000014400000000 ] - [ -0.0002075700000000, 0.0002042700000000, 0.0000962000000000 ] - [ 0.0003964100000000, 0.0001601600000000, 0.0000827900000000 ] - [ 0.0000413000000000, 0.0004916400000000, 0.0005026900000000 ] - [ 0.0004686300000000, -0.0002997900000000, 0.0003386800000000 ] - [ -0.0003815100000000, -0.0002367100000000, 0.0004256300000000 ] - [ -0.0006060300000000, 0.0000098500000000, 0.0000214500000000 ] - [ 0.0003005700000000, 0.0005453000000000, 0.0000368700000000 ] - [ 0.0003020900000000, -0.0005360300000000, 0.0000220000000000 ] - [ 0.0009353900000000, 0.0007346100000000, 0.0001040800000000 ] - [ -0.0005161900000000, -0.0007846200000000, 0.0000063700000000 ] - [ -0.0002724600000000, 0.0004099100000000, 0.0009997000000000 ] - [ 0.0002487300000000, 0.0001866300000000, 0.0000824700000000 ] - [ 0.0000216900000000, -0.0002754000000000, 0.0000959100000000 ] - [ -0.0003954000000000, -0.0000223400000000, 0.0001782400000000 ] - [ -0.0000184500000000, -0.0000963300000000, 0.0003100100000000 ] - [ -0.0002242300000000, 0.0003771000000000, 0.0005228000000000 ] - [ -0.0000070000000000, -0.0004339200000000, 0.0005763700000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000216584, 0.0000000000000000 ] forces: - [ -0.0001055200000000, -0.0000289000000000, -0.0007833000000000 ] - [ -0.0002303400000000, 0.0002360100000000, 0.0006237500000000 ] - [ 0.0000090400000000, 0.0000118600000000, -0.0002541100000000 ] - [ -0.0000331000000000, -0.0000679600000000, -0.0002283600000000 ] - [ -0.0000008500000000, -0.0000005500000000, -0.0004799700000000 ] - [ -0.0000629000000000, 0.0000278000000000, 0.0006497100000000 ] - [ 0.0000128100000000, -0.0000186400000000, -0.0000848800000000 ] - [ -0.0000013300000000, -0.0000020600000000, 0.0001576100000000 ] - [ 0.0000044200000000, -0.0000029800000000, -0.0004806800000000 ] - [ -0.0000014300000000, -0.0000003400000000, 0.0005719700000000 ] - [ 0.0000008300000000, 0.0000006900000000, -0.0000718100000000 ] - [ 0.0000064300000000, -0.0000039100000000, 0.0001573300000000 ] - [ 0.0052848000000000, -0.0006707400000000, -0.0021971200000000 ] - [ 0.0001253500000000, 0.0001818900000000, -0.0000735300000000 ] - [ 0.0000611500000000, -0.0002926600000000, 0.0006027400000000 ] - [ -0.0004030100000000, -0.0000307800000000, 0.0005599600000000 ] - [ 0.0002794800000000, 0.0001514100000000, 0.0005324700000000 ] - [ 0.0013879800000000, 0.0014558400000000, 0.0010664400000000 ] - [ 0.0005434200000000, 0.0000733800000000, -0.0007793700000000 ] - [ -0.0001586600000000, -0.0003223500000000, -0.0005222500000000 ] - [ 0.0017539000000000, -0.0007374100000000, -0.0002480500000000 ] - [ -0.0004797900000000, -0.0001340300000000, 0.0002874100000000 ] - [ -0.0001237700000000, -0.0013310600000000, -0.0006823400000000 ] - [ 0.0000453000000000, 0.0000067900000000, -0.0001027100000000 ] - [ 0.0014984100000000, -0.0003352500000000, -0.0036303800000000 ] - [ 0.0000109000000000, -0.0004025600000000, 0.0000624900000000 ] - [ 0.0001160300000000, 0.0002581700000000, -0.0003371800000000 ] - [ 0.0002409100000000, -0.0001708100000000, -0.0003099400000000 ] - [ -0.0002992000000000, -0.0003066000000000, 0.0002315300000000 ] - [ -0.0000340300000000, -0.0002167900000000, 0.0002520600000000 ] - [ -0.0001185800000000, 0.0001238300000000, 0.0001899500000000 ] - [ 0.0002353400000000, 0.0000494800000000, 0.0002795400000000 ] - [ -0.0003060000000000, -0.0016168200000000, 0.0012041100000000 ] - [ 0.0007052800000000, 0.0014634700000000, 0.0020439700000000 ] - [ 0.0006273300000000, 0.0000218600000000, 0.0004198000000000 ] - [ 0.0009351100000000, 0.0030008700000000, -0.0026476800000000 ] - [ 0.0002297000000000, 0.0000986200000000, -0.0000795900000000 ] - [ -0.0001360600000000, -0.0005086800000000, -0.0002333600000000 ] - [ -0.0007581700000000, 0.0002373700000000, 0.0000825400000000 ] - [ 0.0004303300000000, 0.0006510800000000, -0.0000777300000000 ] - [ 0.0002175000000000, -0.0006789200000000, 0.0002959900000000 ] - [ 0.0017509700000000, -0.0006554200000000, -0.0001628500000000 ] - [ -0.0012484600000000, -0.0011674800000000, 0.0001680400000000 ] - [ 0.0015553700000000, 0.0022115500000000, -0.0014255100000000 ] - [ -0.0528309700000000, 0.0016824400000000, 0.0095400400000000 ] - [ 0.0002007700000000, 0.0004016100000000, 0.0004016000000000 ] - [ 0.0004627000000000, -0.0002494800000000, 0.0004329000000000 ] - [ -0.0002385200000000, 0.0005238100000000, 0.0000707100000000 ] - [ 0.0002772000000000, -0.0001362500000000, -0.0000676700000000 ] - [ 0.0000376600000000, -0.0000017600000000, -0.0001669300000000 ] - [ -0.0000013500000000, 0.0000002000000000, -0.0001235900000000 ] - [ 0.0001073500000000, -0.0000222600000000, 0.0001139000000000 ] - [ -0.0000382700000000, -0.0001848800000000, 0.0004594600000000 ] - [ -0.0001923800000000, 0.0000618800000000, 0.0006608700000000 ] - [ 0.0002212600000000, 0.0001848800000000, 0.0005558200000000 ] - [ -0.0000934400000000, 0.0002985400000000, -0.0006434400000000 ] - [ 0.0003061000000000, -0.0000650700000000, -0.0006449500000000 ] - [ -0.0002101500000000, -0.0002338600000000, -0.0006425500000000 ] - [ 0.0002938300000000, -0.0003028800000000, 0.0000724200000000 ] - [ -0.0003979200000000, -0.0000848000000000, 0.0000773200000000 ] - [ 0.0001166800000000, 0.0003837300000000, 0.0000748900000000 ] - [ -0.0003136000000000, 0.0003345100000000, -0.0001871600000000 ] - [ 0.0004357800000000, 0.0000951600000000, -0.0001784900000000 ] - [ -0.0001307400000000, -0.0004611000000000, -0.0002530400000000 ] - [ 0.0000773800000000, 0.0001977000000000, -0.0003429000000000 ] - [ 0.0001326800000000, -0.0001642000000000, -0.0003434100000000 ] - [ -0.0002054100000000, -0.0000266100000000, -0.0003448200000000 ] - [ 0.0001138300000000, 0.0000177500000000, 0.0001334400000000 ] - [ -0.0000425800000000, -0.0000769700000000, 0.0001189100000000 ] - [ 0.0005797500000000, 0.0003210900000000, 0.0001174300000000 ] - [ -0.0000539500000000, -0.0001755700000000, 0.0001962700000000 ] - [ -0.0001435100000000, 0.0001185100000000, 0.0001988600000000 ] - [ 0.0001810400000000, 0.0000492500000000, 0.0001877700000000 ] - [ 0.0000496200000000, 0.0002005600000000, -0.0003199300000000 ] - [ 0.0001326900000000, -0.0001353200000000, -0.0003378500000000 ] - [ -0.0001796300000000, -0.0000642800000000, -0.0003393000000000 ] - [ -0.0008098800000000, 0.0002366700000000, 0.0000135800000000 ] - [ 0.0006196500000000, 0.0005559200000000, 0.0001513100000000 ] - [ 0.0002597700000000, -0.0008631000000000, 0.0000645900000000 ] - [ 0.0008753000000000, -0.0002384900000000, -0.0001733100000000 ] - [ -0.0006424700000000, -0.0006349700000000, -0.0001729200000000 ] - [ -0.0002335200000000, 0.0008707100000000, -0.0001719800000000 ] - [ -0.0000119700000000, -0.0003965700000000, -0.0000580900000000 ] - [ -0.0003498100000000, 0.0001942400000000, -0.0000771800000000 ] - [ 0.0003499200000000, 0.0001958400000000, -0.0000632000000000 ] - [ 0.0000322100000000, 0.0004344300000000, 0.0000110200000000 ] - [ 0.0003332700000000, -0.0002364400000000, -0.0000473000000000 ] - [ -0.0003488100000000, -0.0001572800000000, -0.0000439800000000 ] - [ 0.0000230800000000, -0.0000738300000000, -0.0001370500000000 ] - [ -0.0000005700000000, 0.0000012300000000, 0.0000030700000000 ] - [ 0.0000575000000000, -0.0002572700000000, 0.0005085200000000 ] - [ -0.0002508700000000, 0.0000792000000000, 0.0005085300000000 ] - [ 0.0001943300000000, 0.0001779700000000, 0.0005058400000000 ] - [ -0.0001361600000000, 0.0002726300000000, -0.0006248400000000 ] - [ 0.0003171700000000, -0.0000734800000000, -0.0006047800000000 ] - [ -0.0002566700000000, -0.0002109700000000, -0.0006666000000000 ] - [ 0.0002787900000000, -0.0002962600000000, 0.0000721600000000 ] - [ -0.0003907600000000, -0.0000895300000000, 0.0000703600000000 ] - [ 0.0001120500000000, 0.0003994100000000, 0.0000756700000000 ] - [ -0.0003219900000000, 0.0003408600000000, -0.0001871400000000 ] - [ 0.0004474000000000, 0.0001114400000000, -0.0001736400000000 ] - [ -0.0001263900000000, -0.0004460700000000, -0.0001702800000000 ] - [ 0.0000568400000000, 0.0002243100000000, -0.0003773800000000 ] - [ 0.0002005500000000, -0.0001218900000000, -0.0003414500000000 ] - [ -0.0002160300000000, 0.0000417200000000, -0.0003579400000000 ] - [ -0.0000655500000000, -0.0001927900000000, 0.0002158100000000 ] - [ -0.0001343800000000, 0.0001508800000000, 0.0002179300000000 ] - [ 0.0001942900000000, 0.0000356300000000, 0.0002214300000000 ] - [ -0.0000449600000000, -0.0002115300000000, 0.0001985400000000 ] - [ -0.0001605000000000, 0.0001414100000000, 0.0002061400000000 ] - [ 0.0002026900000000, 0.0000586100000000, 0.0001982800000000 ] - [ 0.0000887800000000, 0.0002118000000000, -0.0003391600000000 ] - [ 0.0001441500000000, -0.0001804300000000, -0.0003334600000000 ] - [ -0.0002281000000000, -0.0000350600000000, -0.0003438200000000 ] - [ -0.0008322400000000, 0.0002383800000000, 0.0000384900000000 ] - [ 0.0006228700000000, 0.0005997200000000, 0.0000401200000000 ] - [ 0.0002099900000000, -0.0008380900000000, 0.0000418900000000 ] - [ 0.0008632700000000, -0.0002625500000000, -0.0001798400000000 ] - [ -0.0006096800000000, -0.0006391100000000, -0.0001798500000000 ] - [ -0.0002115200000000, 0.0008580900000000, -0.0001327900000000 ] - [ -0.0000029600000000, -0.0003825100000000, -0.0000412600000000 ] - [ -0.0003286700000000, 0.0001846700000000, -0.0000428100000000 ] - [ 0.0003370400000000, 0.0002131400000000, -0.0001227700000000 ] - [ 0.0000608600000000, 0.0003616200000000, -0.0000686300000000 ] - [ 0.0002825100000000, -0.0002314900000000, -0.0000688700000000 ] - [ -0.0003465700000000, -0.0001318600000000, -0.0000707700000000 ] - [ -0.0003010800000000, 0.0000483100000000, -0.0000309000000000 ] - [ 0.0003339200000000, 0.0000373300000000, 0.0001074400000000 ] - [ 0.0002458400000000, -0.0001100400000000, -0.0000879200000000 ] - [ -0.0001658600000000, 0.0002048600000000, 0.0002911900000000 ] - [ -0.0002253500000000, 0.0002553100000000, 0.0001408100000000 ] - [ -0.0002838800000000, 0.0000050300000000, 0.0007229400000000 ] - [ 0.0064952400000000, 0.0086989100000000, 0.0107276000000000 ] - [ -0.0008956800000000, 0.0006213400000000, -0.0002774400000000 ] - [ 0.0002787200000000, 0.0007150600000000, -0.0003163200000000 ] - [ 0.0000489300000000, 0.0002798300000000, -0.0001611600000000 ] - [ 0.0000819300000000, 0.0002165400000000, 0.0010647000000000 ] - [ -0.0028226200000000, -0.0004602000000000, 0.0006401900000000 ] - [ -0.0006846800000000, -0.0002416100000000, -0.0000589200000000 ] - [ 0.0002878400000000, 0.0004121900000000, -0.0002337400000000 ] - [ 0.0002716400000000, -0.0004865700000000, -0.0001686900000000 ] - [ 0.0010122900000000, 0.0014394400000000, 0.0005981500000000 ] - [ 0.0282600400000000, 0.0025827500000000, -0.0211778400000000 ] - [ -0.0018195900000000, -0.0007814300000000, 0.0010267500000000 ] - [ -0.0002704400000000, 0.0001495500000000, -0.0002917700000000 ] - [ 0.0018046200000000, -0.0003723500000000, 0.0003264500000000 ] - [ 0.0001379300000000, -0.0006836800000000, -0.0005571100000000 ] - [ -0.0006936700000000, 0.0002761100000000, -0.0006699400000000 ] - [ 0.0067030000000000, -0.0153270700000000, 0.0041062300000000 ] - [ -0.0002210200000000, -0.0005273700000000, -0.0004611200000000 ] - [ -0.0001419800000000, -0.0000544600000000, 0.0000494500000000 ] - [ 0.0003818200000000, -0.0000097400000000, -0.0001017700000000 ] - [ 0.0000996900000000, 0.0000938700000000, 0.0001954000000000 ] - [ 0.0000107800000000, 0.0000529500000000, 0.0002286500000000 ] - [ 0.0000420600000000, -0.0000350300000000, 0.0002258600000000 ] - [ -0.0000492000000000, -0.0000144800000000, 0.0002288100000000 ] - [ 0.0000123800000000, -0.0003137100000000, -0.0000758400000000 ] - [ -0.0002908800000000, 0.0001869000000000, -0.0000339400000000 ] - [ 0.0002782800000000, 0.0001670400000000, -0.0000632100000000 ] - [ -0.0000052800000000, 0.0002786900000000, 0.0002326200000000 ] - [ 0.0002695200000000, -0.0001451700000000, 0.0002348800000000 ] - [ -0.0002903600000000, -0.0001797400000000, 0.0002262600000000 ] - [ -0.0006667400000000, -0.0001571600000000, -0.0001843000000000 ] - [ 0.0001216100000000, 0.0003949000000000, -0.0003517100000000 ] - [ 0.0003824500000000, -0.0004170700000000, -0.0001266000000000 ] - [ 0.0006343700000000, 0.0002881100000000, 0.0003373400000000 ] - [ -0.0000643900000000, -0.0006852400000000, 0.0003355800000000 ] - [ -0.0005630500000000, 0.0004123000000000, 0.0003400300000000 ] - [ 0.0001677800000000, 0.0002914900000000, -0.0000231600000000 ] - [ 0.0001938600000000, -0.0003583500000000, -0.0000792600000000 ] - [ -0.0003584500000000, 0.0000308800000000, -0.0000678200000000 ] - [ -0.0001908300000000, -0.0002879300000000, 0.0002635300000000 ] - [ -0.0001513800000000, 0.0003062800000000, 0.0002540700000000 ] - [ 0.0003579300000000, -0.0000099800000000, 0.0002554400000000 ] - [ -0.0000286400000000, 0.0000936800000000, -0.0000589800000000 ] - [ 0.0000985400000000, -0.0000268100000000, -0.0000578300000000 ] - [ -0.0000686100000000, -0.0000813600000000, -0.0000597500000000 ] - [ 0.0003506000000000, -0.0000085200000000, 0.0002749100000000 ] - [ -0.0001272700000000, -0.0001365300000000, 0.0000816000000000 ] - [ -0.0001601800000000, 0.0002241700000000, 0.0001324100000000 ] - [ -0.0000666000000000, -0.0003681000000000, -0.0000595900000000 ] - [ -0.0002793700000000, 0.0002380100000000, -0.0000624700000000 ] - [ 0.0003129100000000, 0.0001180000000000, -0.0000395900000000 ] - [ -0.0000435800000000, 0.0004964400000000, 0.0002926100000000 ] - [ 0.0004516900000000, -0.0002362300000000, 0.0002958000000000 ] - [ -0.0004178100000000, -0.0002684100000000, 0.0002907000000000 ] - [ -0.0006179400000000, 0.0000036800000000, -0.0001209900000000 ] - [ 0.0003105400000000, 0.0005301500000000, -0.0001223300000000 ] - [ 0.0003061700000000, -0.0005410800000000, -0.0001197900000000 ] - [ 0.0005436700000000, 0.0001968700000000, 0.0004799800000000 ] - [ -0.0001877800000000, -0.0006304500000000, 0.0002979900000000 ] - [ -0.0004666800000000, 0.0005169800000000, 0.0003333900000000 ] - [ 0.0002197200000000, 0.0002110000000000, -0.0000750400000000 ] - [ 0.0000648100000000, -0.0002859500000000, -0.0000789500000000 ] - [ -0.0002793400000000, 0.0000884900000000, -0.0000839800000000 ] - [ -0.0001742900000000, -0.0001507100000000, 0.0003089500000000 ] - [ -0.0000490400000000, 0.0002581500000000, 0.0003020100000000 ] - [ 0.0002263200000000, -0.0000627000000000, 0.0002755800000000 ]- atom: 45 displacement: [ -0.0100000000000000, -0.0000000000216584, 0.0000000000000000 ] forces: - [ 0.0001066000000000, 0.0000242400000000, -0.0002634100000000 ] - [ 0.0002311900000000, -0.0002345900000000, 0.0004215500000000 ] - [ -0.0000076600000000, -0.0000106100000000, 0.0000245200000000 ] - [ 0.0000327200000000, 0.0000687000000000, 0.0004532000000000 ] - [ 0.0000015600000000, -0.0000001900000000, -0.0005676000000000 ] - [ 0.0000599700000000, -0.0000266700000000, 0.0003991100000000 ] - [ -0.0000114100000000, 0.0000203700000000, -0.0001413900000000 ] - [ 0.0000005800000000, 0.0000004400000000, 0.0000688600000000 ] - [ -0.0000050100000000, 0.0000014500000000, -0.0005648200000000 ] - [ -0.0000009300000000, 0.0000019700000000, 0.0004741200000000 ] - [ 0.0000013000000000, -0.0000006100000000, -0.0001539100000000 ] - [ -0.0000085600000000, 0.0000021800000000, 0.0000724200000000 ] - [ -0.0053657100000000, 0.0006947000000000, 0.0020998600000000 ] - [ -0.0001290400000000, -0.0001811500000000, 0.0002215400000000 ] - [ 0.0000958400000000, -0.0002790400000000, 0.0005517000000000 ] - [ -0.0001684400000000, 0.0001827100000000, 0.0005944900000000 ] - [ 0.0001364000000000, 0.0002681900000000, 0.0006189500000000 ] - [ -0.0015221200000000, -0.0008956600000000, -0.0022062000000000 ] - [ 0.0000023600000000, -0.0002149900000000, -0.0003786800000000 ] - [ -0.0002355200000000, -0.0000812100000000, -0.0006314400000000 ] - [ -0.0011185200000000, 0.0001032600000000, 0.0004774600000000 ] - [ -0.0003732200000000, -0.0000810900000000, -0.0000446600000000 ] - [ 0.0003620800000000, 0.0021750400000000, 0.0009174400000000 ] - [ -0.0006368700000000, 0.0006099000000000, -0.0001558700000000 ] - [ -0.0006764200000000, 0.0005444600000000, 0.0033624900000000 ] - [ -0.0002514200000000, -0.0004215800000000, -0.0003178400000000 ] - [ 0.0000257200000000, 0.0001404000000000, -0.0002265500000000 ] - [ 0.0000351200000000, -0.0001500300000000, -0.0002555200000000 ] - [ -0.0001164300000000, 0.0002399900000000, -0.0007859800000000 ] - [ -0.0000666800000000, -0.0001711900000000, 0.0003269400000000 ] - [ -0.0001658200000000, 0.0001549700000000, 0.0003897500000000 ] - [ 0.0001415000000000, 0.0000462500000000, 0.0003025300000000 ] - [ 0.0001457700000000, 0.0011914400000000, -0.0006761700000000 ] - [ -0.0010036700000000, -0.0011261100000000, -0.0015167300000000 ] - [ -0.0001859800000000, 0.0000571600000000, 0.0001185300000000 ] - [ -0.0008309800000000, -0.0025606200000000, 0.0021090700000000 ] - [ 0.0000881000000000, -0.0004104100000000, -0.0004548300000000 ] - [ -0.0002898300000000, 0.0003822200000000, -0.0003043800000000 ] - [ -0.0009702200000000, 0.0002527900000000, 0.0001259200000000 ] - [ 0.0008525900000000, 0.0005955600000000, 0.0002867100000000 ] - [ 0.0002243700000000, -0.0010561400000000, -0.0000869400000000 ] - [ -0.0000812800000000, 0.0001773200000000, -0.0000589300000000 ] - [ -0.0000016300000000, -0.0000459200000000, -0.0003900200000000 ] - [ -0.0019772400000000, -0.0005385600000000, 0.0012060100000000 ] - [ 0.0532400700000000, -0.0022422300000000, -0.0104922600000000 ] - [ -0.0007977400000000, 0.0000153600000000, -0.0003892600000000 ] - [ 0.0002078200000000, 0.0005660100000000, -0.0004206800000000 ] - [ 0.0002872000000000, 0.0002272500000000, -0.0000920800000000 ] - [ 0.0003559300000000, -0.0002826600000000, 0.0000446700000000 ] - [ -0.0007169100000000, -0.0003364300000000, 0.0001398800000000 ] - [ 0.0000018800000000, -0.0000000200000000, -0.0000216200000000 ] - [ -0.0001048700000000, 0.0000211100000000, 0.0000326500000000 ] - [ 0.0001911600000000, -0.0003817400000000, 0.0007014400000000 ] - [ -0.0003738400000000, 0.0000887500000000, 0.0005025900000000 ] - [ 0.0001919100000000, 0.0002306000000000, 0.0006013800000000 ] - [ -0.0000618400000000, 0.0002686500000000, -0.0005181400000000 ] - [ 0.0002601300000000, -0.0000854600000000, -0.0005160400000000 ] - [ -0.0002029000000000, -0.0001846100000000, -0.0005164000000000 ] - [ 0.0002951600000000, -0.0003152100000000, 0.0001780400000000 ] - [ -0.0004292500000000, -0.0001129800000000, 0.0001741500000000 ] - [ 0.0001244100000000, 0.0004335100000000, 0.0001738700000000 ] - [ -0.0002753700000000, 0.0002836200000000, -0.0000634400000000 ] - [ 0.0003912800000000, 0.0001025600000000, -0.0000729800000000 ] - [ -0.0001105800000000, -0.0003573900000000, 0.0000023800000000 ] - [ 0.0000649100000000, 0.0001812900000000, -0.0002260100000000 ] - [ 0.0001247700000000, -0.0001460100000000, -0.0002260500000000 ] - [ -0.0001846900000000, -0.0000283200000000, -0.0002282800000000 ] - [ -0.0002554300000000, -0.0003991700000000, 0.0004359200000000 ] - [ -0.0002123500000000, 0.0003879600000000, 0.0004523600000000 ] - [ -0.0001908000000000, -0.0002698300000000, 0.0004431000000000 ] - [ -0.0000434600000000, -0.0002044000000000, 0.0003388500000000 ] - [ -0.0001373400000000, 0.0001525700000000, 0.0003380300000000 ] - [ 0.0001901300000000, 0.0000608400000000, 0.0003480800000000 ] - [ 0.0000476400000000, 0.0001801500000000, -0.0002149700000000 ] - [ 0.0001474200000000, -0.0001355700000000, -0.0001995900000000 ] - [ -0.0001911700000000, -0.0000460800000000, -0.0001974900000000 ] - [ -0.0009177500000000, 0.0002353700000000, 0.0001939900000000 ] - [ 0.0006505100000000, 0.0006965500000000, 0.0000607800000000 ] - [ 0.0001960600000000, -0.0008615900000000, 0.0001438000000000 ] - [ 0.0008530500000000, -0.0002341100000000, -0.0000350300000000 ] - [ -0.0006271500000000, -0.0006199300000000, -0.0000357100000000 ] - [ -0.0002225900000000, 0.0008545700000000, -0.0000369500000000 ] - [ -0.0000557700000000, -0.0003879600000000, 0.0000662700000000 ] - [ -0.0002977100000000, 0.0002556200000000, 0.0000848900000000 ] - [ 0.0003692900000000, 0.0001424400000000, 0.0000732200000000 ] - [ 0.0000348100000000, 0.0003518300000000, -0.0000171700000000 ] - [ 0.0003139500000000, -0.0002136800000000, 0.0000390600000000 ] - [ -0.0003696000000000, -0.0001807600000000, 0.0000336800000000 ] - [ -0.0000199400000000, 0.0000726500000000, -0.0000104100000000 ] - [ -0.0000003800000000, -0.0000014100000000, 0.0001115000000000 ] - [ 0.0000931800000000, -0.0002851500000000, 0.0006473500000000 ] - [ -0.0002929700000000, 0.0000627700000000, 0.0006469200000000 ] - [ 0.0001992900000000, 0.0002247900000000, 0.0006467100000000 ] - [ -0.0000208400000000, 0.0002991600000000, -0.0005297600000000 ] - [ 0.0002540700000000, -0.0000786500000000, -0.0005502700000000 ] - [ -0.0001594800000000, -0.0002084900000000, -0.0004851400000000 ] - [ 0.0003149400000000, -0.0003218100000000, 0.0001851100000000 ] - [ -0.0004404000000000, -0.0001119500000000, 0.0001877800000000 ] - [ 0.0001281200000000, 0.0004230500000000, 0.0001792800000000 ] - [ -0.0002921200000000, 0.0002904500000000, -0.0000541000000000 ] - [ 0.0004056200000000, 0.0001030100000000, -0.0000687000000000 ] - [ -0.0001132400000000, -0.0004031100000000, -0.0000690800000000 ] - [ 0.0000440400000000, 0.0001638200000000, -0.0002017500000000 ] - [ 0.0000832200000000, -0.0001566700000000, -0.0002369000000000 ] - [ -0.0001613400000000, -0.0001376300000000, -0.0002241400000000 ] - [ -0.0000768400000000, -0.0002048800000000, 0.0003469100000000 ] - [ -0.0001389000000000, 0.0001687300000000, 0.0003446100000000 ] - [ 0.0002121200000000, 0.0000290300000000, 0.0003446200000000 ] - [ -0.0000679100000000, -0.0002212300000000, 0.0003340700000000 ] - [ -0.0001570300000000, 0.0001695000000000, 0.0003296500000000 ] - [ 0.0002215100000000, 0.0000647100000000, 0.0003375200000000 ] - [ 0.0000701000000000, 0.0002089100000000, -0.0001987800000000 ] - [ 0.0001394400000000, -0.0001642000000000, -0.0002070500000000 ] - [ -0.0002096600000000, -0.0000406400000000, -0.0001966800000000 ] - [ -0.0008467400000000, 0.0002437300000000, 0.0001852900000000 ] - [ 0.0006322900000000, 0.0006083300000000, 0.0001839200000000 ] - [ 0.0002127300000000, -0.0008510100000000, 0.0001829000000000 ] - [ 0.0008650000000000, -0.0002270900000000, -0.0000294800000000 ] - [ -0.0006734200000000, -0.0006077000000000, -0.0000288700000000 ] - [ -0.0002309100000000, 0.0008755400000000, -0.0000775300000000 ] - [ -0.0000466900000000, -0.0003688900000000, 0.0000629000000000 ] - [ -0.0003036700000000, 0.0002348300000000, 0.0000656900000000 ] - [ 0.0003445900000000, 0.0001259900000000, 0.0001466400000000 ] - [ 0.0000042300000000, 0.0003668300000000, 0.0000575100000000 ] - [ 0.0003188500000000, -0.0001890500000000, 0.0000574100000000 ] - [ -0.0003226600000000, -0.0001815200000000, 0.0000580400000000 ] - [ -0.0001578500000000, 0.0000126500000000, -0.0001370200000000 ] - [ -0.0000618600000000, 0.0003128900000000, -0.0002717200000000 ] - [ -0.0000688500000000, -0.0002966300000000, -0.0000787600000000 ] - [ 0.0002075500000000, -0.0003599400000000, 0.0000052900000000 ] - [ 0.0000647200000000, -0.0002086000000000, 0.0001527300000000 ] - [ 0.0003959400000000, 0.0001347500000000, -0.0004184800000000 ] - [ -0.0062616500000000, -0.0096750600000000, -0.0110875700000000 ] - [ 0.0000370300000000, -0.0001764300000000, -0.0001369300000000 ] - [ 0.0005400900000000, -0.0001865000000000, -0.0000981400000000 ] - [ 0.0000873100000000, 0.0004750600000000, 0.0004424700000000 ] - [ 0.0004907800000000, -0.0006861100000000, -0.0007768600000000 ] - [ 0.0020970000000000, 0.0001996500000000, -0.0003393900000000 ] - [ -0.0005848500000000, -0.0000911600000000, -0.0004827600000000 ] - [ 0.0000622900000000, 0.0008594400000000, -0.0003088400000000 ] - [ 0.0006543200000000, -0.0004545500000000, -0.0003716400000000 ] - [ 0.0002196900000000, -0.0014581000000000, -0.0001774500000000 ] - [ -0.0295827200000000, -0.0038030100000000, 0.0224730800000000 ] - [ 0.0012099600000000, 0.0018796300000000, -0.0006124800000000 ] - [ 0.0006707500000000, 0.0001721600000000, -0.0000770100000000 ] - [ -0.0017259000000000, -0.0001296000000000, -0.0007031100000000 ] - [ -0.0006138000000000, 0.0008670000000000, 0.0001850100000000 ] - [ 0.0002766700000000, -0.0007097500000000, 0.0010522300000000 ] - [ -0.0067010700000000, 0.0158548500000000, -0.0036784800000000 ] - [ 0.0007811500000000, 0.0003839600000000, 0.0008399100000000 ] - [ 0.0001007700000000, -0.0000197700000000, -0.0003330000000000 ] - [ -0.0004249200000000, 0.0000859400000000, -0.0001790400000000 ] - [ -0.0000046600000000, -0.0000946500000000, -0.0004768000000000 ] - [ 0.0000298800000000, 0.0000237400000000, 0.0000575800000000 ] - [ 0.0000106100000000, -0.0000367700000000, 0.0000552300000000 ] - [ -0.0000399800000000, 0.0000164000000000, 0.0000554900000000 ] - [ -0.0000089800000000, -0.0003273600000000, -0.0002286700000000 ] - [ -0.0002628700000000, 0.0001189300000000, -0.0002689100000000 ] - [ 0.0002631500000000, 0.0001838000000000, -0.0002421900000000 ] - [ 0.0000021900000000, 0.0003608600000000, 0.0000717000000000 ] - [ 0.0002833900000000, -0.0001585900000000, 0.0000690100000000 ] - [ -0.0002520800000000, -0.0001711200000000, 0.0000793200000000 ] - [ -0.0005931200000000, -0.0004270900000000, -0.0003079700000000 ] - [ 0.0000033000000000, 0.0009631300000000, -0.0001495200000000 ] - [ 0.0007483500000000, -0.0003776800000000, -0.0003651000000000 ] - [ 0.0006219600000000, 0.0002972200000000, 0.0001564500000000 ] - [ -0.0000599900000000, -0.0006814200000000, 0.0001602100000000 ] - [ -0.0005691300000000, 0.0003830300000000, 0.0001525900000000 ] - [ 0.0002120600000000, 0.0002863000000000, -0.0002713800000000 ] - [ 0.0001142500000000, -0.0002607200000000, -0.0002180300000000 ] - [ -0.0003319400000000, 0.0000092700000000, -0.0002280900000000 ] - [ -0.0001900900000000, -0.0002889500000000, 0.0000321500000000 ] - [ -0.0001557900000000, 0.0003115000000000, 0.0000417300000000 ] - [ 0.0003332500000000, -0.0000299100000000, 0.0000408000000000 ] - [ -0.0000149500000000, 0.0000609500000000, -0.0002404700000000 ] - [ 0.0000661500000000, -0.0000202700000000, -0.0002362700000000 ] - [ -0.0000462500000000, -0.0000580500000000, -0.0002370000000000 ] - [ 0.0001082500000000, -0.0000525900000000, -0.0001058600000000 ] - [ -0.0001440700000000, -0.0002134700000000, 0.0000829400000000 ] - [ -0.0000174300000000, 0.0001830800000000, 0.0000346200000000 ] - [ -0.0000693000000000, -0.0003851400000000, -0.0002229100000000 ] - [ -0.0002970100000000, 0.0002333800000000, -0.0002193300000000 ] - [ 0.0003945400000000, 0.0001336300000000, -0.0002463000000000 ] - [ -0.0000291000000000, 0.0004774500000000, 0.0001232100000000 ] - [ 0.0004131200000000, -0.0002054500000000, 0.0001204800000000 ] - [ -0.0004046100000000, -0.0002546400000000, 0.0001267000000000 ] - [ -0.0006257200000000, 0.0000087000000000, -0.0003025300000000 ] - [ 0.0003182700000000, 0.0005372300000000, -0.0003024200000000 ] - [ 0.0003061700000000, -0.0005469600000000, -0.0003030900000000 ] - [ 0.0007265100000000, 0.0001356000000000, 0.0000620900000000 ] - [ -0.0001619200000000, -0.0006403200000000, 0.0002442700000000 ] - [ -0.0004589000000000, 0.0004240400000000, 0.0002067400000000 ] - [ 0.0001981300000000, 0.0002180700000000, -0.0003060400000000 ] - [ 0.0000909600000000, -0.0002690900000000, -0.0003044500000000 ] - [ -0.0002854800000000, 0.0000585300000000, -0.0003000200000000 ] - [ -0.0002254000000000, -0.0001714400000000, 0.0000621400000000 ] - [ -0.0000272100000000, 0.0002466100000000, 0.0000710000000000 ] - [ 0.0002472100000000, -0.0001170900000000, 0.0000969000000000 ]- atom: 45 displacement: [ -0.0050000000088145, 0.0086602540327554, 0.0000000000000000 ] forces: - [ 0.0004425900000000, -0.0001841700000000, -0.0002175200000000 ] - [ 0.0001859400000000, -0.0001615200000000, 0.0004093600000000 ] - [ 0.0000473300000000, 0.0001620400000000, -0.0000361600000000 ] - [ -0.0001753600000000, -0.0001747100000000, 0.0002083200000000 ] - [ 0.0000024400000000, 0.0000039100000000, -0.0005517100000000 ] - [ 0.0000982000000000, -0.0000024500000000, 0.0004238400000000 ] - [ -0.0000452600000000, -0.0000501000000000, -0.0001271300000000 ] - [ -0.0000000400000000, 0.0000015900000000, 0.0000857000000000 ] - [ -0.0000112800000000, -0.0000069200000000, -0.0005494100000000 ] - [ -0.0000013300000000, 0.0000008700000000, 0.0004928200000000 ] - [ 0.0000017100000000, -0.0000008200000000, -0.0001376200000000 ] - [ -0.0000011800000000, 0.0000074700000000, 0.0000861700000000 ] - [ -0.0045328100000000, -0.0001980200000000, 0.0013591200000000 ] - [ 0.0001733600000000, 0.0001173100000000, 0.0000395900000000 ] - [ -0.0000138100000000, -0.0002246000000000, 0.0005056500000000 ] - [ -0.0002782800000000, 0.0000748600000000, 0.0006191900000000 ] - [ 0.0001849600000000, 0.0002557700000000, 0.0006090300000000 ] - [ 0.0016407500000000, 0.0007867000000000, 0.0005913000000000 ] - [ 0.0008152600000000, 0.0003473400000000, -0.0007947500000000 ] - [ -0.0003589300000000, 0.0001838000000000, -0.0007255800000000 ] - [ -0.0002702100000000, -0.0003055600000000, 0.0002525400000000 ] - [ -0.0003957500000000, 0.0000710300000000, 0.0000096300000000 ] - [ -0.0000895800000000, 0.0062434100000000, 0.0038973300000000 ] - [ -0.0010616300000000, 0.0009802900000000, 0.0000887900000000 ] - [ -0.0001548300000000, 0.0001608700000000, 0.0018603000000000 ] - [ -0.0001326600000000, -0.0003184700000000, -0.0002300100000000 ] - [ 0.0000117900000000, 0.0001430400000000, -0.0002739000000000 ] - [ -0.0002240600000000, 0.0002046500000000, 0.0002160300000000 ] - [ -0.0004394000000000, 0.0010541000000000, -0.0019106200000000 ] - [ -0.0000805800000000, -0.0001459600000000, 0.0003251300000000 ] - [ -0.0001544300000000, 0.0001096300000000, 0.0003764600000000 ] - [ 0.0002053700000000, 0.0000769100000000, 0.0002929300000000 ] - [ 0.0000199700000000, 0.0022603900000000, -0.0001549100000000 ] - [ 0.0000933300000000, 0.0001928800000000, 0.0003531800000000 ] - [ -0.0001096500000000, 0.0000949400000000, 0.0001986600000000 ] - [ 0.0001380600000000, 0.0002577700000000, -0.0008273500000000 ] - [ 0.0003859900000000, -0.0001181300000000, -0.0002638900000000 ] - [ -0.0001250300000000, 0.0009121800000000, -0.0000153300000000 ] - [ -0.0008986900000000, 0.0003081000000000, 0.0001919900000000 ] - [ 0.0008266700000000, 0.0006093700000000, -0.0000530400000000 ] - [ 0.0003105700000000, -0.0007894300000000, 0.0001325700000000 ] - [ 0.0000929500000000, 0.0001201200000000, -0.0000849800000000 ] - [ -0.0010309300000000, 0.0025142400000000, 0.0010524700000000 ] - [ 0.0017332200000000, 0.0020119700000000, -0.0011127500000000 ] - [ 0.0284375800000000, -0.0770829800000000, -0.0068586000000000 ] - [ -0.0004231900000000, -0.0000545800000000, -0.0002349000000000 ] - [ -0.0000412300000000, 0.0005170100000000, -0.0005118400000000 ] - [ 0.0002849300000000, 0.0005520600000000, -0.0002508000000000 ] - [ 0.0004656300000000, 0.0000912200000000, 0.0003709700000000 ] - [ -0.0004513300000000, -0.0002790600000000, 0.0000673700000000 ] - [ 0.0000054000000000, 0.0000038300000000, -0.0000412200000000 ] - [ -0.0002560400000000, 0.0001844000000000, 0.0000300900000000 ] - [ 0.0001808100000000, -0.0002146600000000, 0.0003728900000000 ] - [ -0.0001621300000000, 0.0002056100000000, 0.0006700100000000 ] - [ 0.0003362100000000, 0.0003236800000000, 0.0006917800000000 ] - [ -0.0000713000000000, 0.0002759200000000, -0.0005435300000000 ] - [ 0.0002681200000000, -0.0000848800000000, -0.0005395100000000 ] - [ -0.0002038000000000, -0.0001941300000000, -0.0005418100000000 ] - [ 0.0002981000000000, -0.0003129000000000, 0.0001750800000000 ] - [ -0.0004195300000000, -0.0001220600000000, 0.0001389700000000 ] - [ 0.0001273200000000, 0.0004187800000000, 0.0001458600000000 ] - [ -0.0002624100000000, 0.0002919100000000, -0.0000735600000000 ] - [ 0.0003944000000000, 0.0001188400000000, -0.0001005400000000 ] - [ -0.0001193700000000, -0.0003883400000000, -0.0000328700000000 ] - [ 0.0000668700000000, 0.0001841700000000, -0.0002471800000000 ] - [ 0.0001261300000000, -0.0001504000000000, -0.0002491300000000 ] - [ -0.0001876800000000, -0.0000277700000000, -0.0002508200000000 ] - [ -0.0000778900000000, -0.0004480600000000, 0.0003249900000000 ] - [ -0.0004362500000000, 0.0003494400000000, 0.0003374000000000 ] - [ -0.0000804500000000, -0.0003730000000000, 0.0014886800000000 ] - [ -0.0000621800000000, -0.0002059400000000, 0.0002960300000000 ] - [ -0.0001347300000000, 0.0001419400000000, 0.0003158900000000 ] - [ 0.0001876700000000, 0.0000811700000000, 0.0003252000000000 ] - [ 0.0000317300000000, 0.0001869500000000, -0.0002501800000000 ] - [ 0.0001484200000000, -0.0001407400000000, -0.0002166700000000 ] - [ -0.0001926700000000, -0.0000305400000000, -0.0002306800000000 ] - [ -0.0008829800000000, 0.0003415300000000, 0.0002086000000000 ] - [ 0.0005432700000000, 0.0007929900000000, -0.0000718700000000 ] - [ 0.0002196100000000, -0.0009346000000000, 0.0001112900000000 ] - [ 0.0008551300000000, -0.0002297800000000, -0.0000578500000000 ] - [ -0.0006318300000000, -0.0006223800000000, -0.0000695700000000 ] - [ -0.0002219200000000, 0.0008572800000000, -0.0000606200000000 ] - [ -0.0000500900000000, -0.0003860100000000, 0.0000443500000000 ] - [ -0.0002997200000000, 0.0002516500000000, 0.0000706200000000 ] - [ 0.0003661800000000, 0.0001592800000000, 0.0000425500000000 ] - [ 0.0000691500000000, 0.0002963700000000, -0.0001090800000000 ] - [ 0.0003320100000000, -0.0002111100000000, 0.0000152900000000 ] - [ -0.0003766700000000, -0.0001686300000000, 0.0000445200000000 ] - [ -0.0000179400000000, 0.0000408200000000, -0.0000315200000000 ] - [ -0.0000011500000000, -0.0000026400000000, 0.0000912200000000 ] - [ 0.0000869300000000, -0.0002808200000000, 0.0006219200000000 ] - [ -0.0002853900000000, 0.0000671700000000, 0.0006217900000000 ] - [ 0.0001971900000000, 0.0002161200000000, 0.0006199000000000 ] - [ -0.0000241900000000, 0.0002760800000000, -0.0005196600000000 ] - [ 0.0002499400000000, -0.0000723900000000, -0.0005576600000000 ] - [ -0.0002024400000000, -0.0002429100000000, -0.0005448200000000 ] - [ 0.0003096700000000, -0.0003161600000000, 0.0001676700000000 ] - [ -0.0004304000000000, -0.0001085500000000, 0.0001639300000000 ] - [ 0.0001252200000000, 0.0004176200000000, 0.0001579800000000 ] - [ -0.0002980300000000, 0.0002988000000000, -0.0000796700000000 ] - [ 0.0004148000000000, 0.0001062100000000, -0.0000881700000000 ] - [ -0.0001159300000000, -0.0004090900000000, -0.0000873400000000 ] - [ 0.0000934500000000, 0.0002377700000000, -0.0001850000000000 ] - [ 0.0001453400000000, -0.0001573900000000, -0.0002607000000000 ] - [ -0.0001560200000000, -0.0000785000000000, -0.0002969100000000 ] - [ -0.0000731800000000, -0.0002020700000000, 0.0003244900000000 ] - [ -0.0001362000000000, 0.0001666900000000, 0.0003205100000000 ] - [ 0.0002087500000000, 0.0000307000000000, 0.0003218800000000 ] - [ -0.0000618200000000, -0.0002200600000000, 0.0003092100000000 ] - [ -0.0001588200000000, 0.0001654300000000, 0.0003018500000000 ] - [ 0.0002168200000000, 0.0000628500000000, 0.0003152000000000 ] - [ 0.0000759400000000, 0.0002097300000000, -0.0002244800000000 ] - [ 0.0001389000000000, -0.0001670700000000, -0.0002326000000000 ] - [ -0.0002128300000000, -0.0000444700000000, -0.0002250400000000 ] - [ -0.0008432000000000, 0.0002415400000000, 0.0001579600000000 ] - [ 0.0006308300000000, 0.0006055500000000, 0.0001574900000000 ] - [ 0.0002107700000000, -0.0008479200000000, 0.0001565700000000 ] - [ 0.0008562800000000, -0.0002393300000000, -0.0000482300000000 ] - [ -0.0006530600000000, -0.0006089100000000, -0.0000581600000000 ] - [ -0.0002435000000000, 0.0008892200000000, -0.0001059400000000 ] - [ -0.0000388700000000, -0.0003681200000000, 0.0000424600000000 ] - [ -0.0003109200000000, 0.0002271300000000, 0.0000476800000000 ] - [ 0.0003422500000000, 0.0001410100000000, 0.0000987600000000 ] - [ 0.0000152600000000, 0.0003650500000000, 0.0000328900000000 ] - [ 0.0003112400000000, -0.0001976600000000, 0.0000327200000000 ] - [ -0.0003262300000000, -0.0001736900000000, 0.0000350600000000 ] - [ -0.0002138200000000, -0.0000092100000000, -0.0001779100000000 ] - [ 0.0000559500000000, 0.0002246900000000, -0.0001052800000000 ] - [ 0.0000055200000000, -0.0002395100000000, -0.0001514400000000 ] - [ 0.0002860700000000, -0.0005734000000000, 0.0002525800000000 ] - [ -0.0010089700000000, 0.0003584400000000, -0.0005914400000000 ] - [ -0.0007043200000000, 0.0002005300000000, 0.0008887300000000 ] - [ 0.0029557700000000, 0.0091337500000000, 0.0095528800000000 ] - [ -0.0002012200000000, -0.0000287600000000, -0.0001778100000000 ] - [ 0.0011441800000000, -0.0009834400000000, -0.0003846200000000 ] - [ -0.0002637100000000, 0.0002472600000000, 0.0003005800000000 ] - [ 0.0005125700000000, -0.0013886100000000, -0.0025209400000000 ] - [ 0.0007452900000000, 0.0011483400000000, 0.0001836900000000 ] - [ -0.0007543900000000, -0.0001093600000000, -0.0003716700000000 ] - [ -0.0000487200000000, 0.0005943100000000, -0.0001746800000000 ] - [ 0.0003017800000000, -0.0007967000000000, -0.0005136500000000 ] - [ 0.0018941800000000, -0.0007204900000000, -0.0000069100000000 ] - [ -0.0118517100000000, 0.0008582300000000, 0.0097455900000000 ] - [ 0.0009417700000000, 0.0017382300000000, -0.0005647300000000 ] - [ 0.0005357600000000, -0.0000048800000000, -0.0004077400000000 ] - [ -0.0007733300000000, -0.0003975500000000, 0.0005121800000000 ] - [ -0.0006450100000000, -0.0000627400000000, -0.0003273300000000 ] - [ 0.0003739100000000, -0.0006739900000000, 0.0008998400000000 ] - [ -0.0173333500000000, 0.0499526000000000, -0.0162370600000000 ] - [ -0.0003963400000000, 0.0001173900000000, 0.0001826000000000 ] - [ -0.0004522300000000, -0.0006738700000000, -0.0004419300000000 ] - [ -0.0002873100000000, -0.0001847700000000, 0.0000284700000000 ] - [ 0.0000159600000000, 0.0003583500000000, -0.0004335600000000 ] - [ 0.0000253900000000, 0.0000259500000000, 0.0000888100000000 ] - [ 0.0000199800000000, -0.0000406300000000, 0.0000908800000000 ] - [ -0.0000439600000000, 0.0000122200000000, 0.0000885600000000 ] - [ -0.0000126900000000, -0.0003087400000000, -0.0002096000000000 ] - [ -0.0002666800000000, 0.0001156700000000, -0.0002409900000000 ] - [ 0.0002599200000000, 0.0001880000000000, -0.0001898900000000 ] - [ 0.0000168300000000, 0.0004201300000000, 0.0001247700000000 ] - [ 0.0002662800000000, -0.0001629600000000, 0.0001030100000000 ] - [ -0.0002257100000000, -0.0001921000000000, 0.0001032400000000 ] - [ -0.0003157400000000, -0.0003517700000000, -0.0006303600000000 ] - [ 0.0000519200000000, 0.0012223200000000, 0.0001244200000000 ] - [ 0.0006600400000000, -0.0004663900000000, -0.0003131500000000 ] - [ 0.0006217000000000, 0.0002912600000000, 0.0001950400000000 ] - [ -0.0000611000000000, -0.0006819100000000, 0.0001955100000000 ] - [ -0.0005726100000000, 0.0003790300000000, 0.0001843300000000 ] - [ 0.0002245300000000, 0.0002287200000000, -0.0002422500000000 ] - [ 0.0001522500000000, -0.0002367100000000, -0.0000913600000000 ] - [ -0.0003655000000000, 0.0000032300000000, -0.0002130100000000 ] - [ -0.0001841700000000, -0.0003094300000000, 0.0000690500000000 ] - [ -0.0001400300000000, 0.0003044100000000, 0.0000958700000000 ] - [ 0.0003268000000000, -0.0000249300000000, 0.0000776300000000 ] - [ -0.0000155200000000, 0.0000686800000000, -0.0002060600000000 ] - [ 0.0000708400000000, -0.0000191300000000, -0.0002035900000000 ] - [ -0.0000476500000000, -0.0000643900000000, -0.0002051200000000 ] - [ 0.0002212800000000, 0.0000502400000000, -0.0000450500000000 ] - [ -0.0001883200000000, -0.0001841900000000, 0.0000567900000000 ] - [ 0.0000353000000000, 0.0001330900000000, 0.0000761100000000 ] - [ -0.0000717800000000, -0.0003857200000000, -0.0001910500000000 ] - [ -0.0002898800000000, 0.0002334500000000, -0.0001923600000000 ] - [ 0.0003805200000000, 0.0001317400000000, -0.0002079800000000 ] - [ -0.0000305900000000, 0.0004790800000000, 0.0001572100000000 ] - [ 0.0004199400000000, -0.0002095100000000, 0.0001557500000000 ] - [ -0.0004125400000000, -0.0002562400000000, 0.0001544100000000 ] - [ -0.0006243700000000, 0.0000084300000000, -0.0002687700000000 ] - [ 0.0003161400000000, 0.0005359500000000, -0.0002697300000000 ] - [ 0.0003065600000000, -0.0005422700000000, -0.0002712800000000 ] - [ 0.0006961400000000, 0.0001481900000000, 0.0001423400000000 ] - [ -0.0001520400000000, -0.0006494600000000, 0.0002484000000000 ] - [ -0.0004601500000000, 0.0004463200000000, 0.0002199700000000 ] - [ 0.0002010100000000, 0.0002200400000000, -0.0002627100000000 ] - [ 0.0000844100000000, -0.0002710100000000, -0.0002629300000000 ] - [ -0.0002828000000000, 0.0000649300000000, -0.0002580100000000 ] - [ -0.0002149300000000, -0.0001541600000000, 0.0001067100000000 ] - [ -0.0000348200000000, 0.0002453100000000, 0.0001110700000000 ] - [ 0.0002580600000000, -0.0001075900000000, 0.0001366600000000 ]- atom: 45 displacement: [ 0.0050000000088145, -0.0086602540327554, 0.0000000000000000 ] forces: - [ -0.0004364100000000, 0.0001810200000000, -0.0008243900000000 ] - [ -0.0001847900000000, 0.0001623100000000, 0.0006326300000000 ] - [ -0.0000451200000000, -0.0001570800000000, -0.0001891400000000 ] - [ 0.0001731600000000, 0.0001711700000000, 0.0000153600000000 ] - [ -0.0000017900000000, -0.0000045500000000, -0.0004927300000000 ] - [ -0.0001006000000000, 0.0000035800000000, 0.0006212600000000 ] - [ 0.0000460200000000, 0.0000507200000000, -0.0000953900000000 ] - [ -0.0000007400000000, -0.0000031200000000, 0.0001359800000000 ] - [ 0.0000106700000000, 0.0000053100000000, -0.0004928500000000 ] - [ -0.0000010400000000, 0.0000007900000000, 0.0005497100000000 ] - [ 0.0000004000000000, 0.0000009200000000, -0.0000838100000000 ] - [ -0.0000009900000000, -0.0000090000000000, 0.0001388500000000 ] - [ 0.0044993900000000, 0.0001895000000000, -0.0014739100000000 ] - [ -0.0001770300000000, -0.0001155100000000, 0.0001115900000000 ] - [ 0.0001709600000000, -0.0003464500000000, 0.0006534200000000 ] - [ -0.0002938700000000, 0.0000763900000000, 0.0005417500000000 ] - [ 0.0002308000000000, 0.0001636400000000, 0.0005481600000000 ] - [ -0.0017651300000000, -0.0002546200000000, -0.0017274000000000 ] - [ -0.0002649200000000, -0.0004838600000000, -0.0003699300000000 ] - [ -0.0000353600000000, -0.0005825700000000, -0.0004357700000000 ] - [ 0.0008871200000000, -0.0003225500000000, -0.0000132700000000 ] - [ -0.0004539900000000, -0.0002872500000000, 0.0002356200000000 ] - [ 0.0003220300000000, -0.0054507700000000, -0.0036619800000000 ] - [ 0.0004642000000000, -0.0003619600000000, -0.0003509800000000 ] - [ 0.0009736200000000, 0.0000454200000000, -0.0021249000000000 ] - [ -0.0001026800000000, -0.0005043700000000, -0.0000279400000000 ] - [ 0.0001331000000000, 0.0002503300000000, -0.0002907600000000 ] - [ 0.0004936700000000, -0.0005221300000000, -0.0007808000000000 ] - [ 0.0000337000000000, -0.0011239500000000, 0.0013576100000000 ] - [ -0.0000216800000000, -0.0002392300000000, 0.0002571600000000 ] - [ -0.0001273100000000, 0.0001690400000000, 0.0002058200000000 ] - [ 0.0001709900000000, 0.0000170400000000, 0.0002927400000000 ] - [ -0.0001922400000000, -0.0026447700000000, 0.0006627000000000 ] - [ -0.0003577000000000, 0.0001697000000000, 0.0002086700000000 ] - [ 0.0005506400000000, -0.0000166800000000, 0.0003405800000000 ] - [ -0.0000227200000000, 0.0001811200000000, 0.0002879100000000 ] - [ -0.0000631600000000, -0.0001902600000000, -0.0002727600000000 ] - [ -0.0003033800000000, -0.0010410000000000, -0.0005233000000000 ] - [ -0.0008267600000000, 0.0001831800000000, 0.0000191200000000 ] - [ 0.0004576400000000, 0.0006338700000000, 0.0002637900000000 ] - [ 0.0001300100000000, -0.0009386500000000, 0.0000820600000000 ] - [ 0.0015798800000000, -0.0006017500000000, -0.0001422800000000 ] - [ -0.0002411300000000, -0.0036501200000000, -0.0012386200000000 ] - [ -0.0021367800000000, -0.0003091800000000, 0.0008721200000000 ] - [ -0.0279938600000000, 0.0744839100000000, 0.0077577900000000 ] - [ -0.0001743600000000, 0.0004699100000000, 0.0002456500000000 ] - [ 0.0007079900000000, -0.0002030600000000, 0.0005249000000000 ] - [ -0.0002349200000000, 0.0001989600000000, 0.0002278200000000 ] - [ 0.0001655300000000, -0.0005055100000000, -0.0003922500000000 ] - [ -0.0002294600000000, -0.0000604200000000, -0.0000941600000000 ] - [ -0.0000047900000000, -0.0000035900000000, -0.0001064600000000 ] - [ 0.0002569200000000, -0.0001849900000000, 0.0001193300000000 ] - [ -0.0000270600000000, -0.0003500700000000, 0.0007908600000000 ] - [ -0.0003991900000000, -0.0000539500000000, 0.0005024400000000 ] - [ 0.0000755200000000, 0.0000950800000000, 0.0004746700000000 ] - [ -0.0000844900000000, 0.0002911100000000, -0.0006231500000000 ] - [ 0.0002980600000000, -0.0000652300000000, -0.0006265300000000 ] - [ -0.0002089200000000, -0.0002246800000000, -0.0006224500000000 ] - [ 0.0002915400000000, -0.0003018100000000, 0.0000776600000000 ] - [ -0.0004053200000000, -0.0000781700000000, 0.0001143100000000 ] - [ 0.0001106600000000, 0.0003976800000000, 0.0001050500000000 ] - [ -0.0003268900000000, 0.0003228000000000, -0.0001785200000000 ] - [ 0.0004304600000000, 0.0000820200000000, -0.0001526400000000 ] - [ -0.0001185100000000, -0.0004294200000000, -0.0002192300000000 ] - [ 0.0000764700000000, 0.0001925500000000, -0.0003241700000000 ] - [ 0.0001288300000000, -0.0001596200000000, -0.0003229000000000 ] - [ -0.0002008500000000, -0.0000249100000000, -0.0003248700000000 ] - [ -0.0000627800000000, 0.0000692400000000, 0.0002459100000000 ] - [ 0.0001826800000000, -0.0000395900000000, 0.0002345100000000 ] - [ 0.0004749400000000, 0.0004171300000000, -0.0009169500000000 ] - [ -0.0000348200000000, -0.0001756300000000, 0.0002396700000000 ] - [ -0.0001476500000000, 0.0001293900000000, 0.0002220200000000 ] - [ 0.0001844800000000, 0.0000306900000000, 0.0002117000000000 ] - [ 0.0000645500000000, 0.0001952900000000, -0.0002850800000000 ] - [ 0.0001330700000000, -0.0001305200000000, -0.0003202500000000 ] - [ -0.0001791900000000, -0.0000807400000000, -0.0003060500000000 ] - [ -0.0008414700000000, 0.0001329100000000, 0.0000023800000000 ] - [ 0.0007253800000000, 0.0004568700000000, 0.0002846300000000 ] - [ 0.0002337500000000, -0.0007902700000000, 0.0001013500000000 ] - [ 0.0008699800000000, -0.0002437000000000, -0.0001521200000000 ] - [ -0.0006372200000000, -0.0006292400000000, -0.0001408900000000 ] - [ -0.0002318100000000, 0.0008658700000000, -0.0001499200000000 ] - [ -0.0000162500000000, -0.0003970900000000, -0.0000354600000000 ] - [ -0.0003471700000000, 0.0001963100000000, -0.0000619600000000 ] - [ 0.0003511600000000, 0.0001797900000000, -0.0000319500000000 ] - [ -0.0000039100000000, 0.0004874200000000, 0.0001023300000000 ] - [ 0.0003153600000000, -0.0002367000000000, -0.0000231800000000 ] - [ -0.0003404400000000, -0.0001702800000000, -0.0000547600000000 ] - [ 0.0000211300000000, -0.0000417600000000, -0.0001183500000000 ] - [ 0.0000002200000000, 0.0000024100000000, 0.0000266100000000 ] - [ 0.0000635800000000, -0.0002613600000000, 0.0005399100000000 ] - [ -0.0002584800000000, 0.0000745900000000, 0.0005395700000000 ] - [ 0.0001961600000000, 0.0001867400000000, 0.0005386200000000 ] - [ -0.0001325300000000, 0.0002949300000000, -0.0006392500000000 ] - [ 0.0003207500000000, -0.0000796100000000, -0.0006030600000000 ] - [ -0.0002134400000000, -0.0001765100000000, -0.0006124000000000 ] - [ 0.0002847300000000, -0.0002986500000000, 0.0000916800000000 ] - [ -0.0003986400000000, -0.0000954900000000, 0.0000964800000000 ] - [ 0.0001117600000000, 0.0004037800000000, 0.0000991000000000 ] - [ -0.0003169700000000, 0.0003291100000000, -0.0001628600000000 ] - [ 0.0004356800000000, 0.0001106900000000, -0.0001555700000000 ] - [ -0.0001204600000000, -0.0004389800000000, -0.0001536300000000 ] - [ 0.0000079700000000, 0.0001486700000000, -0.0003960600000000 ] - [ 0.0001360200000000, -0.0001209300000000, -0.0003205500000000 ] - [ -0.0002194800000000, -0.0000150000000000, -0.0002879200000000 ] - [ -0.0000702300000000, -0.0001937400000000, 0.0002415800000000 ] - [ -0.0001348700000000, 0.0001529100000000, 0.0002452100000000 ] - [ 0.0001964400000000, 0.0000319900000000, 0.0002473700000000 ] - [ -0.0000505400000000, -0.0002142300000000, 0.0002243800000000 ] - [ -0.0001604400000000, 0.0001458800000000, 0.0002346800000000 ] - [ 0.0002085400000000, 0.0000618800000000, 0.0002215300000000 ] - [ 0.0000823300000000, 0.0002123900000000, -0.0003134300000000 ] - [ 0.0001464700000000, -0.0001776700000000, -0.0003079600000000 ] - [ -0.0002259000000000, -0.0000323600000000, -0.0003154800000000 ] - [ -0.0008328300000000, 0.0002418700000000, 0.0000687400000000 ] - [ 0.0006238900000000, 0.0005991300000000, 0.0000695500000000 ] - [ 0.0002093500000000, -0.0008390000000000, 0.0000710800000000 ] - [ 0.0008686000000000, -0.0002514800000000, -0.0001630300000000 ] - [ -0.0006294700000000, -0.0006346400000000, -0.0001522000000000 ] - [ -0.0001964000000000, 0.0008426700000000, -0.0001067800000000 ] - [ -0.0000093700000000, -0.0003817600000000, -0.0000201100000000 ] - [ -0.0003210700000000, 0.0001904400000000, -0.0000240500000000 ] - [ 0.0003373900000000, 0.0001986100000000, -0.0000740300000000 ] - [ 0.0000480200000000, 0.0003620500000000, -0.0000439300000000 ] - [ 0.0002899900000000, -0.0002207700000000, -0.0000439600000000 ] - [ -0.0003410500000000, -0.0001406400000000, -0.0000475800000000 ] - [ -0.0002485000000000, 0.0000680600000000, 0.0000060100000000 ] - [ 0.0002147400000000, 0.0001300800000000, -0.0000628100000000 ] - [ 0.0001760800000000, -0.0001690600000000, -0.0000204200000000 ] - [ -0.0002417400000000, 0.0004182700000000, 0.0000531800000000 ] - [ 0.0008588100000000, -0.0003100500000000, 0.0008781100000000 ] - [ 0.0008061700000000, -0.0000586100000000, -0.0005766600000000 ] - [ -0.0029765200000000, -0.0101778500000000, -0.0102178600000000 ] - [ -0.0006647500000000, 0.0004786000000000, -0.0002373700000000 ] - [ -0.0003180200000000, 0.0014959500000000, -0.0000367300000000 ] - [ 0.0003992600000000, 0.0005063500000000, -0.0000176000000000 ] - [ 0.0000659100000000, 0.0009039500000000, 0.0028069400000000 ] - [ -0.0014592000000000, -0.0014031300000000, 0.0001208100000000 ] - [ -0.0005146500000000, -0.0002266300000000, -0.0001737700000000 ] - [ 0.0003941300000000, 0.0006746500000000, -0.0003701500000000 ] - [ 0.0006257500000000, -0.0001439000000000, -0.0000310200000000 ] - [ -0.0006419200000000, 0.0007158500000000, 0.0004322000000000 ] - [ 0.0112381200000000, -0.0019914200000000, -0.0092736800000000 ] - [ -0.0015557000000000, -0.0006454700000000, 0.0009875700000000 ] - [ -0.0001382500000000, 0.0003261600000000, 0.0000376800000000 ] - [ 0.0008378700000000, -0.0001073100000000, -0.0008853300000000 ] - [ 0.0001757900000000, 0.0002285400000000, -0.0000530200000000 ] - [ -0.0007903200000000, 0.0002452400000000, -0.0005151600000000 ] - [ 0.0167620500000000, -0.0474475100000000, 0.0158878000000000 ] - [ 0.0009457500000000, -0.0002663200000000, 0.0002061700000000 ] - [ 0.0004045000000000, 0.0005862200000000, 0.0001497200000000 ] - [ 0.0002379500000000, 0.0002572900000000, -0.0003090800000000 ] - [ 0.0000713200000000, -0.0003477500000000, 0.0001347200000000 ] - [ 0.0000191700000000, 0.0000531100000000, 0.0002008300000000 ] - [ 0.0000329600000000, -0.0000356400000000, 0.0001933300000000 ] - [ -0.0000494400000000, -0.0000081200000000, 0.0001990300000000 ] - [ 0.0000112300000000, -0.0003327300000000, -0.0000963500000000 ] - [ -0.0002854400000000, 0.0001938200000000, -0.0000632900000000 ] - [ 0.0002839400000000, 0.0001591100000000, -0.0001166600000000 ] - [ -0.0000149700000000, 0.0002207700000000, 0.0001803200000000 ] - [ 0.0002842300000000, -0.0001444300000000, 0.0002011800000000 ] - [ -0.0003185800000000, -0.0001553600000000, 0.0002026700000000 ] - [ -0.0009403500000000, -0.0002340500000000, 0.0001331600000000 ] - [ 0.0000733600000000, 0.0001428400000000, -0.0006196700000000 ] - [ 0.0004722500000000, -0.0003263600000000, -0.0001838500000000 ] - [ 0.0006334300000000, 0.0002963200000000, 0.0003019100000000 ] - [ -0.0000608300000000, -0.0006849400000000, 0.0003033100000000 ] - [ -0.0005610700000000, 0.0004140500000000, 0.0003111000000000 ] - [ 0.0001542400000000, 0.0003473300000000, -0.0000553600000000 ] - [ 0.0001560000000000, -0.0003792500000000, -0.0002067400000000 ] - [ -0.0003241500000000, 0.0000359300000000, -0.0000865700000000 ] - [ -0.0001949800000000, -0.0002664700000000, 0.0002276600000000 ] - [ -0.0001668400000000, 0.0003113100000000, 0.0002015600000000 ] - [ 0.0003625000000000, -0.0000141900000000, 0.0002198000000000 ] - [ -0.0000317000000000, 0.0000835500000000, -0.0000976200000000 ] - [ 0.0000934600000000, -0.0000229700000000, -0.0000950800000000 ] - [ -0.0000631400000000, -0.0000768400000000, -0.0000957500000000 ] - [ 0.0002419300000000, -0.0001080300000000, 0.0002164800000000 ] - [ -0.0000835900000000, -0.0001696000000000, 0.0001110900000000 ] - [ -0.0002157300000000, 0.0002754200000000, 0.0000949600000000 ] - [ -0.0000681900000000, -0.0003680800000000, -0.0000927500000000 ] - [ -0.0002847000000000, 0.0002419300000000, -0.0000906500000000 ] - [ 0.0003293300000000, 0.0001166600000000, -0.0000791900000000 ] - [ -0.0000382900000000, 0.0004952600000000, 0.0002589200000000 ] - [ 0.0004429300000000, -0.0002360700000000, 0.0002609000000000 ] - [ -0.0004124900000000, -0.0002633700000000, 0.0002634000000000 ] - [ -0.0006184700000000, 0.0000017900000000, -0.0001587400000000 ] - [ 0.0003101700000000, 0.0005316100000000, -0.0001589700000000 ] - [ 0.0003073600000000, -0.0005436200000000, -0.0001559200000000 ] - [ 0.0005729900000000, 0.0001865500000000, 0.0004028500000000 ] - [ -0.0001952000000000, -0.0006219700000000, 0.0002966700000000 ] - [ -0.0004668400000000, 0.0004924500000000, 0.0003236300000000 ] - [ 0.0002149300000000, 0.0002082300000000, -0.0001210300000000 ] - [ 0.0000714300000000, -0.0002820000000000, -0.0001230600000000 ] - [ -0.0002803700000000, 0.0000810000000000, -0.0001285100000000 ] - [ -0.0001830100000000, -0.0001668100000000, 0.0002656500000000 ] - [ -0.0000416100000000, 0.0002573700000000, 0.0002630100000000 ] - [ 0.0002139300000000, -0.0000713100000000, 0.0002373400000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000274100000000, -0.0000956500000000, -0.0001917100000000 ] - [ 0.0003106600000000, -0.0003052300000000, 0.0003997200000000 ] - [ -0.0001006100000000, 0.0000337300000000, -0.0001903600000000 ] - [ 0.0000590300000000, 0.0001371400000000, 0.0005936100000000 ] - [ 0.0000105300000000, 0.0000020200000000, -0.0006373800000000 ] - [ 0.0004146400000000, -0.0000376000000000, 0.0002330600000000 ] - [ -0.0000374100000000, -0.0000027500000000, -0.0001838400000000 ] - [ -0.0000032900000000, 0.0000026600000000, 0.0000176100000000 ] - [ -0.0000021400000000, -0.0000013900000000, -0.0006277700000000 ] - [ -0.0000014500000000, 0.0000009100000000, 0.0004169900000000 ] - [ 0.0000009700000000, -0.0000001300000000, -0.0002181600000000 ] - [ -0.0000106600000000, 0.0000064100000000, 0.0000192700000000 ] - [ -0.0022656600000000, 0.0001398800000000, 0.0004000400000000 ] - [ -0.0001133900000000, -0.0000561200000000, 0.0002056900000000 ] - [ 0.0001704600000000, -0.0003674700000000, 0.0007062200000000 ] - [ -0.0002826900000000, 0.0001803400000000, 0.0006548200000000 ] - [ 0.0001735000000000, 0.0002524100000000, 0.0006582500000000 ] - [ 0.0028791000000000, 0.0019794300000000, 0.0008727700000000 ] - [ -0.0000149100000000, -0.0002130700000000, -0.0003979200000000 ] - [ -0.0002105100000000, -0.0002836800000000, -0.0008411600000000 ] - [ -0.0011231200000000, 0.0000705500000000, 0.0002804300000000 ] - [ -0.0002460900000000, -0.0002073200000000, -0.0002817200000000 ] - [ 0.0001345000000000, 0.0009061700000000, -0.0001850900000000 ] - [ -0.0000971700000000, 0.0001625200000000, -0.0004785400000000 ] - [ -0.0016091100000000, 0.0015301000000000, 0.0045493400000000 ] - [ -0.0001926800000000, -0.0003906800000000, -0.0003971000000000 ] - [ 0.0000162100000000, 0.0002442800000000, -0.0004384200000000 ] - [ -0.0001349900000000, 0.0000323000000000, -0.0000302000000000 ] - [ 0.0004248600000000, -0.0012150600000000, 0.0001990800000000 ] - [ -0.0000579400000000, -0.0001711000000000, 0.0004160800000000 ] - [ -0.0002301700000000, 0.0001873100000000, 0.0005464200000000 ] - [ 0.0001952300000000, 0.0000339100000000, 0.0004219800000000 ] - [ 0.0007948700000000, -0.0021720900000000, 0.0002447800000000 ] - [ 0.0011626800000000, 0.0019394600000000, 0.0011959600000000 ] - [ -0.0000657700000000, -0.0000322300000000, -0.0000279200000000 ] - [ -0.0006130200000000, -0.0021743400000000, 0.0005842500000000 ] - [ 0.0002630600000000, 0.0000419100000000, -0.0008074300000000 ] - [ -0.0003680700000000, -0.0000946300000000, -0.0006368400000000 ] - [ -0.0009743300000000, 0.0002757700000000, 0.0000993700000000 ] - [ 0.0006949900000000, 0.0005949600000000, 0.0002841900000000 ] - [ 0.0002856400000000, -0.0006634900000000, 0.0002283700000000 ] - [ 0.0004218300000000, -0.0001079000000000, -0.0004374200000000 ] - [ -0.0012514100000000, 0.0017572200000000, 0.0008874500000000 ] - [ -0.0024823200000000, -0.0005360500000000, 0.0005919000000000 ] - [ 0.0104845900000000, -0.0026293900000000, -0.0702819100000000 ] - [ -0.0008175100000000, 0.0000182900000000, -0.0006406500000000 ] - [ 0.0001804600000000, 0.0005234800000000, -0.0006402800000000 ] - [ 0.0001070900000000, 0.0001470300000000, -0.0000297900000000 ] - [ 0.0003971400000000, -0.0000794200000000, 0.0000006400000000 ] - [ -0.0006668000000000, -0.0004206400000000, -0.0000018000000000 ] - [ 0.0000055200000000, 0.0000074800000000, 0.0000508700000000 ] - [ 0.0000519700000000, 0.0000534200000000, 0.0001063900000000 ] - [ 0.0001239700000000, -0.0003899200000000, 0.0006415800000000 ] - [ -0.0000840900000000, 0.0001422400000000, 0.0006437100000000 ] - [ 0.0003501800000000, 0.0004503100000000, 0.0006319500000000 ] - [ -0.0000428300000000, 0.0002499200000000, -0.0004211200000000 ] - [ 0.0002320400000000, -0.0001059900000000, -0.0004168900000000 ] - [ -0.0001994000000000, -0.0001525300000000, -0.0004233600000000 ] - [ 0.0003001700000000, -0.0003117900000000, 0.0002528700000000 ] - [ -0.0004856300000000, -0.0001436300000000, 0.0002567500000000 ] - [ 0.0001325000000000, 0.0004476700000000, 0.0002194400000000 ] - [ -0.0002860200000000, 0.0002598700000000, 0.0000005200000000 ] - [ 0.0003517000000000, 0.0001211600000000, -0.0000185500000000 ] - [ -0.0001271600000000, -0.0002458600000000, 0.0002510700000000 ] - [ 0.0000532200000000, 0.0001764200000000, -0.0001389200000000 ] - [ 0.0001218700000000, -0.0001347100000000, -0.0001414300000000 ] - [ -0.0001732800000000, -0.0000334400000000, -0.0001440900000000 ] - [ -0.0003644300000000, -0.0002866500000000, 0.0002459200000000 ] - [ -0.0003735000000000, 0.0002628300000000, 0.0001234500000000 ] - [ -0.0013020300000000, 0.0008202900000000, 0.0043162300000000 ] - [ -0.0000729100000000, -0.0002349500000000, 0.0004277300000000 ] - [ -0.0001054700000000, 0.0001646000000000, 0.0004229000000000 ] - [ 0.0001981300000000, 0.0001321000000000, 0.0004259400000000 ] - [ 0.0000487100000000, 0.0001477800000000, -0.0001386500000000 ] - [ 0.0001937800000000, -0.0001337100000000, -0.0001046900000000 ] - [ -0.0001851100000000, -0.0000432400000000, -0.0001383000000000 ] - [ -0.0009141300000000, 0.0003390900000000, 0.0001809500000000 ] - [ 0.0006384900000000, 0.0005524600000000, 0.0001710200000000 ] - [ 0.0002725900000000, -0.0009083600000000, 0.0001540200000000 ] - [ 0.0008428000000000, -0.0002233200000000, 0.0000612000000000 ] - [ -0.0006186200000000, -0.0006163700000000, 0.0000575800000000 ] - [ -0.0002137700000000, 0.0008481100000000, 0.0000601600000000 ] - [ -0.0000868200000000, -0.0003868800000000, 0.0001427700000000 ] - [ -0.0002371200000000, 0.0003321200000000, 0.0002402700000000 ] - [ 0.0003789300000000, 0.0001166100000000, 0.0001478300000000 ] - [ 0.0000492600000000, 0.0002790700000000, 0.0000093700000000 ] - [ 0.0003730900000000, -0.0002102900000000, 0.0000632600000000 ] - [ -0.0003366800000000, -0.0002042200000000, 0.0000618500000000 ] - [ -0.0000141400000000, 0.0000733200000000, 0.0000722100000000 ] - [ -0.0000017000000000, -0.0000015100000000, 0.0001775600000000 ] - [ 0.0001204100000000, -0.0003078400000000, 0.0007288800000000 ] - [ -0.0003235400000000, 0.0000537100000000, 0.0007285700000000 ] - [ 0.0002044100000000, 0.0002561700000000, 0.0007302600000000 ] - [ 0.0000066400000000, 0.0002543700000000, -0.0004209900000000 ] - [ 0.0002588000000000, -0.0000806100000000, -0.0004822800000000 ] - [ -0.0001593800000000, -0.0001859200000000, -0.0004051100000000 ] - [ 0.0003345300000000, -0.0003442400000000, 0.0002565600000000 ] - [ -0.0004699900000000, -0.0001161700000000, 0.0002584400000000 ] - [ 0.0001385500000000, 0.0004533900000000, 0.0002535100000000 ] - [ -0.0002718600000000, 0.0002730000000000, 0.0000250100000000 ] - [ 0.0003792000000000, 0.0000931800000000, 0.0000083500000000 ] - [ -0.0001078900000000, -0.0003766100000000, 0.0000077400000000 ] - [ 0.0000288300000000, 0.0002127600000000, -0.0001415900000000 ] - [ 0.0000610800000000, -0.0001644600000000, -0.0001967200000000 ] - [ -0.0001547700000000, -0.0000982200000000, -0.0001798500000000 ] - [ -0.0000787300000000, -0.0002153500000000, 0.0004376400000000 ] - [ -0.0001454100000000, 0.0001831600000000, 0.0004198600000000 ] - [ 0.0002267000000000, 0.0000274200000000, 0.0004212400000000 ] - [ -0.0000769500000000, -0.0002261800000000, 0.0004242200000000 ] - [ -0.0001553200000000, 0.0001790500000000, 0.0004272400000000 ] - [ 0.0002296600000000, 0.0000595000000000, 0.0004322900000000 ] - [ 0.0000602900000000, 0.0002017100000000, -0.0001073800000000 ] - [ 0.0001408100000000, -0.0001490100000000, -0.0001148100000000 ] - [ -0.0001978700000000, -0.0000471900000000, -0.0001047700000000 ] - [ -0.0008600900000000, 0.0002437900000000, 0.0002783900000000 ] - [ 0.0006389200000000, 0.0006190700000000, 0.0002748000000000 ] - [ 0.0002187700000000, -0.0008615900000000, 0.0002749400000000 ] - [ 0.0008523700000000, -0.0002252000000000, 0.0000788900000000 ] - [ -0.0006708000000000, -0.0006119500000000, 0.0000673800000000 ] - [ -0.0002115500000000, 0.0008593600000000, 0.0000481600000000 ] - [ -0.0000879600000000, -0.0003661600000000, 0.0001496100000000 ] - [ -0.0002790100000000, 0.0002682300000000, 0.0001542400000000 ] - [ 0.0003564700000000, 0.0000841000000000, 0.0002475000000000 ] - [ -0.0000295100000000, 0.0003728100000000, 0.0001412900000000 ] - [ 0.0003418200000000, -0.0001610300000000, 0.0001434700000000 ] - [ -0.0003108600000000, -0.0002144600000000, 0.0001428400000000 ] - [ -0.0001401400000000, 0.0000315900000000, -0.0001827300000000 ] - [ -0.0000232600000000, 0.0002602500000000, -0.0003453700000000 ] - [ 0.0000273300000000, -0.0002704500000000, -0.0002875700000000 ] - [ 0.0001829900000000, -0.0001086600000000, 0.0004512300000000 ] - [ -0.0017635900000000, -0.0010404700000000, 0.0004907000000000 ] - [ 0.0005667200000000, 0.0000963100000000, -0.0006224300000000 ] - [ 0.0088414400000000, 0.0171352700000000, 0.0284636800000000 ] - [ 0.0002387300000000, -0.0001760400000000, -0.0000510100000000 ] - [ 0.0000282700000000, 0.0010965200000000, 0.0009221100000000 ] - [ -0.0001018500000000, 0.0004643200000000, 0.0006137500000000 ] - [ 0.0003030300000000, -0.0005810100000000, 0.0006035200000000 ] - [ 0.0015648800000000, 0.0005338000000000, 0.0000134300000000 ] - [ -0.0004894700000000, -0.0000993100000000, -0.0004548200000000 ] - [ 0.0000971100000000, 0.0005497800000000, -0.0003509400000000 ] - [ 0.0005810100000000, -0.0005948200000000, -0.0004815400000000 ] - [ 0.0014965900000000, -0.0008337300000000, 0.0003923900000000 ] - [ -0.0203176900000000, -0.0015430600000000, 0.0164277300000000 ] - [ 0.0006937400000000, 0.0012051200000000, 0.0001957600000000 ] - [ 0.0005302400000000, 0.0003273400000000, 0.0001785100000000 ] - [ -0.0003419400000000, 0.0000544700000000, -0.0008469100000000 ] - [ -0.0002199400000000, -0.0007807100000000, -0.0002813900000000 ] - [ 0.0001004200000000, -0.0004120500000000, 0.0011358500000000 ] - [ 0.0041368500000000, -0.0156270800000000, 0.0100066900000000 ] - [ 0.0005667200000000, -0.0002516700000000, 0.0024774700000000 ] - [ -0.0000580400000000, -0.0004368100000000, -0.0005301300000000 ] - [ -0.0001701400000000, 0.0001806500000000, -0.0000170800000000 ] - [ -0.0000065200000000, 0.0004349600000000, -0.0001321500000000 ] - [ 0.0000359100000000, -0.0000030700000000, -0.0000641600000000 ] - [ -0.0000077200000000, -0.0000299500000000, -0.0000649500000000 ] - [ -0.0000334100000000, 0.0000361800000000, -0.0000680200000000 ] - [ -0.0000180900000000, -0.0003245000000000, -0.0003266200000000 ] - [ -0.0002307100000000, -0.0000460600000000, -0.0004784600000000 ] - [ 0.0003189100000000, 0.0002001200000000, -0.0003280500000000 ] - [ -0.0000401500000000, 0.0004567200000000, -0.0000988400000000 ] - [ 0.0002868300000000, -0.0001706600000000, -0.0000158800000000 ] - [ -0.0002354800000000, -0.0001741200000000, 0.0000279200000000 ] - [ -0.0006216200000000, -0.0002454000000000, -0.0004673200000000 ] - [ -0.0003971200000000, 0.0011349500000000, -0.0003418000000000 ] - [ 0.0006903700000000, -0.0005016100000000, -0.0001655000000000 ] - [ 0.0006208000000000, 0.0002930300000000, 0.0000361500000000 ] - [ -0.0000620000000000, -0.0006796400000000, 0.0000420700000000 ] - [ -0.0005757600000000, 0.0003360000000000, 0.0000141500000000 ] - [ 0.0001903900000000, 0.0002571400000000, -0.0003347300000000 ] - [ 0.0001236600000000, -0.0001200500000000, -0.0003065700000000 ] - [ -0.0003945100000000, -0.0000041600000000, -0.0003775100000000 ] - [ -0.0001883600000000, -0.0002977200000000, -0.0001185600000000 ] - [ -0.0001409800000000, 0.0003240100000000, -0.0001028400000000 ] - [ 0.0002913900000000, -0.0000498100000000, -0.0001065000000000 ] - [ 0.0000032600000000, 0.0000446000000000, -0.0003569600000000 ] - [ 0.0000418500000000, -0.0000201800000000, -0.0003470600000000 ] - [ -0.0000378300000000, -0.0000413400000000, -0.0003530500000000 ] - [ 0.0001221300000000, -0.0000396600000000, -0.0002480800000000 ] - [ -0.0001760300000000, -0.0001179200000000, -0.0000261800000000 ] - [ -0.0001036400000000, 0.0001988400000000, -0.0000848100000000 ] - [ -0.0000620300000000, -0.0004003900000000, -0.0003382600000000 ] - [ -0.0003146100000000, 0.0002363700000000, -0.0003332600000000 ] - [ 0.0004129900000000, 0.0001466400000000, -0.0003614900000000 ] - [ -0.0000319400000000, 0.0004608200000000, 0.0000114400000000 ] - [ 0.0003981200000000, -0.0001977500000000, 0.0000042700000000 ] - [ -0.0003882100000000, -0.0002473200000000, 0.0000129700000000 ] - [ -0.0006280200000000, 0.0000148300000000, -0.0004222500000000 ] - [ 0.0003270600000000, 0.0005381500000000, -0.0004201500000000 ] - [ 0.0003043100000000, -0.0005525600000000, -0.0004256500000000 ] - [ 0.0007493300000000, 0.0001504700000000, -0.0000975600000000 ] - [ -0.0001417900000000, -0.0006514400000000, 0.0001000800000000 ] - [ -0.0004667700000000, 0.0004102600000000, 0.0000850500000000 ] - [ 0.0001834400000000, 0.0002297200000000, -0.0004545800000000 ] - [ 0.0001062300000000, -0.0002613000000000, -0.0004503600000000 ] - [ -0.0002886700000000, 0.0000375900000000, -0.0004470700000000 ] - [ -0.0002440600000000, -0.0001557400000000, -0.0000939200000000 ] - [ -0.0000138700000000, 0.0002587700000000, -0.0000809000000000 ] - [ 0.0002306700000000, -0.0001422400000000, -0.0000590400000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000277000000000, 0.0000978300000000, -0.0008559900000000 ] - [ -0.0003110000000000, 0.0003086200000000, 0.0006452600000000 ] - [ 0.0001029500000000, -0.0000315700000000, -0.0000389900000000 ] - [ -0.0000610700000000, -0.0001358400000000, -0.0003692500000000 ] - [ -0.0000097000000000, -0.0000027700000000, -0.0004096100000000 ] - [ -0.0004126300000000, 0.0000382500000000, 0.0008131500000000 ] - [ 0.0000380500000000, 0.0000044800000000, -0.0000421300000000 ] - [ 0.0000025900000000, -0.0000042900000000, 0.0002089400000000 ] - [ 0.0000015700000000, -0.0000002800000000, -0.0004171800000000 ] - [ -0.0000009200000000, 0.0000006300000000, 0.0006286900000000 ] - [ 0.0000011800000000, 0.0000001500000000, -0.0000074600000000 ] - [ 0.0000085800000000, -0.0000081600000000, 0.0002105400000000 ] - [ 0.0022808200000000, -0.0001376100000000, -0.0005244700000000 ] - [ 0.0001099800000000, 0.0000572700000000, -0.0000579600000000 ] - [ -0.0000141100000000, -0.0002036400000000, 0.0004472000000000 ] - [ -0.0002878600000000, -0.0000291600000000, 0.0004999100000000 ] - [ 0.0002422100000000, 0.0001672000000000, 0.0004928900000000 ] - [ -0.0029958600000000, -0.0014112900000000, -0.0020273500000000 ] - [ 0.0005563600000000, 0.0000698800000000, -0.0007556900000000 ] - [ -0.0001832600000000, -0.0001151800000000, -0.0003126900000000 ] - [ 0.0017507700000000, -0.0007036200000000, -0.0000442200000000 ] - [ -0.0006074800000000, -0.0000061300000000, 0.0005252300000000 ] - [ 0.0001009700000000, -0.0000394900000000, 0.0004351200000000 ] - [ -0.0004987300000000, 0.0004581600000000, 0.0002220900000000 ] - [ 0.0024673800000000, -0.0013423900000000, -0.0048977100000000 ] - [ -0.0000478700000000, -0.0004326600000000, 0.0001420500000000 ] - [ 0.0001254900000000, 0.0001538500000000, -0.0001249800000000 ] - [ 0.0004079800000000, -0.0003529200000000, -0.0005344200000000 ] - [ -0.0008198700000000, 0.0011463200000000, -0.0007691300000000 ] - [ -0.0000427100000000, -0.0002172700000000, 0.0001626900000000 ] - [ -0.0000545000000000, 0.0000911900000000, 0.0000332700000000 ] - [ 0.0001821400000000, 0.0000621000000000, 0.0001600200000000 ] - [ -0.0009714900000000, 0.0017677100000000, 0.0002787600000000 ] - [ -0.0014623800000000, -0.0016026500000000, -0.0006653100000000 ] - [ 0.0005050300000000, 0.0001093700000000, 0.0005687700000000 ] - [ 0.0007427400000000, 0.0026260800000000, -0.0011183600000000 ] - [ 0.0000539000000000, -0.0003535000000000, 0.0002722200000000 ] - [ -0.0000554800000000, -0.0000260700000000, 0.0001029100000000 ] - [ -0.0007539600000000, 0.0002143800000000, 0.0001095100000000 ] - [ 0.0005890300000000, 0.0006513700000000, -0.0000759600000000 ] - [ 0.0001564000000000, -0.0010706200000000, -0.0000195700000000 ] - [ 0.0012595600000000, -0.0003741300000000, 0.0002138800000000 ] - [ -0.0000036200000000, -0.0029628600000000, -0.0011123200000000 ] - [ 0.0020401700000000, 0.0022072400000000, -0.0008152600000000 ] - [ -0.0095350800000000, 0.0027155100000000, 0.0706310500000000 ] - [ 0.0002189000000000, 0.0004030200000000, 0.0006532400000000 ] - [ 0.0004888700000000, -0.0002095800000000, 0.0006535600000000 ] - [ -0.0000575700000000, 0.0006048700000000, 0.0000083900000000 ] - [ 0.0002363800000000, -0.0003386400000000, -0.0000214900000000 ] - [ -0.0000141600000000, 0.0000833100000000, -0.0000239900000000 ] - [ -0.0000048600000000, -0.0000072200000000, -0.0001959500000000 ] - [ -0.0000537800000000, -0.0000537400000000, 0.0000368800000000 ] - [ 0.0000318800000000, -0.0001767400000000, 0.0005190900000000 ] - [ -0.0004814900000000, 0.0000089400000000, 0.0005177800000000 ] - [ 0.0000631000000000, -0.0000331500000000, 0.0005251000000000 ] - [ -0.0001125400000000, 0.0003169100000000, -0.0007400600000000 ] - [ 0.0003339000000000, -0.0000445800000000, -0.0007436700000000 ] - [ -0.0002134000000000, -0.0002658200000000, -0.0007353100000000 ] - [ 0.0002878200000000, -0.0003064600000000, -0.0000026800000000 ] - [ -0.0003419400000000, -0.0000541500000000, -0.0000059500000000 ] - [ 0.0001093600000000, 0.0003699100000000, 0.0000286600000000 ] - [ -0.0003028500000000, 0.0003586700000000, -0.0002509100000000 ] - [ 0.0004758700000000, 0.0000769400000000, -0.0002336700000000 ] - [ -0.0001149500000000, -0.0005718800000000, -0.0005000100000000 ] - [ 0.0000888300000000, 0.0002029400000000, -0.0004300100000000 ] - [ 0.0001360400000000, -0.0001755800000000, -0.0004280800000000 ] - [ -0.0002169700000000, -0.0000218500000000, -0.0004291300000000 ] - [ 0.0002220400000000, -0.0000927700000000, 0.0003227500000000 ] - [ 0.0001165100000000, 0.0000471300000000, 0.0004451600000000 ] - [ 0.0016768400000000, -0.0007463100000000, -0.0036686500000000 ] - [ -0.0000245100000000, -0.0001452600000000, 0.0001069700000000 ] - [ -0.0001745300000000, 0.0001066200000000, 0.0001136700000000 ] - [ 0.0001728300000000, -0.0000213500000000, 0.0001099700000000 ] - [ 0.0000489400000000, 0.0002320700000000, -0.0003969000000000 ] - [ 0.0000865000000000, -0.0001377600000000, -0.0004328500000000 ] - [ -0.0001860000000000, -0.0000663400000000, -0.0003986100000000 ] - [ -0.0008149300000000, 0.0001337700000000, 0.0000265800000000 ] - [ 0.0006317000000000, 0.0007028800000000, 0.0000358700000000 ] - [ 0.0001821900000000, -0.0008176100000000, 0.0000525400000000 ] - [ 0.0008858000000000, -0.0002492700000000, -0.0002693700000000 ] - [ -0.0006511200000000, -0.0006388500000000, -0.0002661800000000 ] - [ -0.0002423400000000, 0.0008774000000000, -0.0002689500000000 ] - [ 0.0000192900000000, -0.0003981400000000, -0.0001351700000000 ] - [ -0.0004100600000000, 0.0001185200000000, -0.0002315900000000 ] - [ 0.0003406000000000, 0.0002218900000000, -0.0001381600000000 ] - [ 0.0000189300000000, 0.0005060700000000, -0.0000197100000000 ] - [ 0.0002744100000000, -0.0002406400000000, -0.0000713300000000 ] - [ -0.0003828000000000, -0.0001337500000000, -0.0000729200000000 ] - [ 0.0000174300000000, -0.0000751800000000, -0.0002197100000000 ] - [ 0.0000007800000000, 0.0000012300000000, -0.0000634000000000 ] - [ 0.0000302300000000, -0.0002343100000000, 0.0004263300000000 ] - [ -0.0002199600000000, 0.0000881000000000, 0.0004261800000000 ] - [ 0.0001889200000000, 0.0001462500000000, 0.0004216000000000 ] - [ -0.0001634600000000, 0.0003169100000000, -0.0007328700000000 ] - [ 0.0003119300000000, -0.0000715000000000, -0.0006721100000000 ] - [ -0.0002566600000000, -0.0002334100000000, -0.0007462800000000 ] - [ 0.0002590200000000, -0.0002745500000000, 0.0000003400000000 ] - [ -0.0003615100000000, -0.0000848400000000, -0.0000007400000000 ] - [ 0.0001023300000000, 0.0003691600000000, 0.0000010300000000 ] - [ -0.0003420200000000, 0.0003590200000000, -0.0002661900000000 ] - [ 0.0004743300000000, 0.0001206900000000, -0.0002505300000000 ] - [ -0.0001324400000000, -0.0004728000000000, -0.0002469500000000 ] - [ 0.0000717700000000, 0.0001755700000000, -0.0004370100000000 ] - [ 0.0002235100000000, -0.0001137900000000, -0.0003815700000000 ] - [ -0.0002224900000000, 0.0000021900000000, -0.0004021700000000 ] - [ -0.0000633600000000, -0.0001825900000000, 0.0001249400000000 ] - [ -0.0001281800000000, 0.0001363600000000, 0.0001423400000000 ] - [ 0.0001798600000000, 0.0000374700000000, 0.0001444700000000 ] - [ -0.0000361000000000, -0.0002062900000000, 0.0001081900000000 ] - [ -0.0001617400000000, 0.0001318600000000, 0.0001082500000000 ] - [ 0.0001943200000000, 0.0000632500000000, 0.0001032900000000 ] - [ 0.0000989100000000, 0.0002186100000000, -0.0004306700000000 ] - [ 0.0001423500000000, -0.0001958300000000, -0.0004258100000000 ] - [ -0.0002398400000000, -0.0000281600000000, -0.0004358900000000 ] - [ -0.0008193100000000, 0.0002383300000000, -0.0000550400000000 ] - [ 0.0006164200000000, 0.0005891200000000, -0.0000512700000000 ] - [ 0.0002041500000000, -0.0008277600000000, -0.0000506800000000 ] - [ 0.0008760600000000, -0.0002646500000000, -0.0002881000000000 ] - [ -0.0006120700000000, -0.0006352200000000, -0.0002760800000000 ] - [ -0.0002310900000000, 0.0008745700000000, -0.0002583600000000 ] - [ 0.0000383500000000, -0.0003856600000000, -0.0001283000000000 ] - [ -0.0003536800000000, 0.0001514000000000, -0.0001317300000000 ] - [ 0.0003253600000000, 0.0002553400000000, -0.0002246600000000 ] - [ 0.0000947500000000, 0.0003559500000000, -0.0001523100000000 ] - [ 0.0002597400000000, -0.0002598700000000, -0.0001549200000000 ] - [ -0.0003587500000000, -0.0000990300000000, -0.0001555600000000 ] - [ -0.0003191300000000, 0.0000292600000000, 0.0000142100000000 ] - [ 0.0002949900000000, 0.0000899800000000, 0.0001815000000000 ] - [ 0.0001496700000000, -0.0001361500000000, 0.0001207700000000 ] - [ -0.0001382200000000, -0.0000472500000000, -0.0001511000000000 ] - [ 0.0015888800000000, 0.0010843000000000, -0.0001866400000000 ] - [ -0.0004503800000000, 0.0000426800000000, 0.0009160200000000 ] - [ -0.0090727000000000, -0.0189348400000000, -0.0296635100000000 ] - [ -0.0011085400000000, 0.0006200700000000, -0.0003618900000000 ] - [ 0.0007957300000000, -0.0005768600000000, -0.0013436400000000 ] - [ 0.0002380000000000, 0.0002895000000000, -0.0003326600000000 ] - [ 0.0002727500000000, 0.0001056400000000, -0.0003328300000000 ] - [ -0.0022753400000000, -0.0007923100000000, 0.0002846400000000 ] - [ -0.0007807800000000, -0.0002343800000000, -0.0000862200000000 ] - [ 0.0002528400000000, 0.0007217200000000, -0.0001903200000000 ] - [ 0.0003446500000000, -0.0003474100000000, -0.0000584000000000 ] - [ -0.0002540000000000, 0.0008224700000000, 0.0000332100000000 ] - [ 0.0189947200000000, 0.0003662600000000, -0.0156233600000000 ] - [ -0.0013113600000000, -0.0001232200000000, 0.0002289100000000 ] - [ -0.0001311300000000, -0.0000073600000000, -0.0005514800000000 ] - [ 0.0004158800000000, -0.0005607900000000, 0.0004761900000000 ] - [ -0.0002559500000000, 0.0009608800000000, -0.0000914900000000 ] - [ -0.0005189500000000, -0.0000184000000000, -0.0007577700000000 ] - [ -0.0043254600000000, 0.0162563100000000, -0.0095244000000000 ] - [ -0.0000027600000000, 0.0001016700000000, -0.0020915000000000 ] - [ 0.0000199500000000, 0.0003608000000000, 0.0002434800000000 ] - [ 0.0001080100000000, -0.0001137400000000, -0.0002614600000000 ] - [ 0.0001001100000000, -0.0004365800000000, -0.0001518000000000 ] - [ 0.0000048400000000, 0.0000795000000000, 0.0003506300000000 ] - [ 0.0000603200000000, -0.0000417500000000, 0.0003461700000000 ] - [ -0.0000559000000000, -0.0000342300000000, 0.0003525000000000 ] - [ 0.0000215500000000, -0.0003164100000000, 0.0000228200000000 ] - [ -0.0003224100000000, 0.0003489400000000, 0.0001745700000000 ] - [ 0.0002219100000000, 0.0001515600000000, 0.0000229500000000 ] - [ 0.0000359800000000, 0.0001857400000000, 0.0004034600000000 ] - [ 0.0002667900000000, -0.0001326900000000, 0.0003199200000000 ] - [ -0.0003055600000000, -0.0001774200000000, 0.0002788400000000 ] - [ -0.0006342300000000, -0.0003414300000000, -0.0000233000000000 ] - [ 0.0005197200000000, 0.0002374400000000, -0.0001459800000000 ] - [ 0.0004433800000000, -0.0002929100000000, -0.0003256400000000 ] - [ 0.0006357500000000, 0.0002920300000000, 0.0004570000000000 ] - [ -0.0000627400000000, -0.0006871900000000, 0.0004532400000000 ] - [ -0.0005565800000000, 0.0004588300000000, 0.0004775500000000 ] - [ 0.0001908800000000, 0.0003197400000000, 0.0000405000000000 ] - [ 0.0001829100000000, -0.0004964700000000, 0.0000121400000000 ] - [ -0.0002952300000000, 0.0000446700000000, 0.0000819400000000 ] - [ -0.0001921700000000, -0.0002793400000000, 0.0004144100000000 ] - [ -0.0001661700000000, 0.0002935500000000, 0.0003994300000000 ] - [ 0.0003989000000000, 0.0000098200000000, 0.0004034400000000 ] - [ -0.0000467500000000, 0.0001102700000000, 0.0000579600000000 ] - [ 0.0001229600000000, -0.0000268900000000, 0.0000532100000000 ] - [ -0.0000771800000000, -0.0000981800000000, 0.0000565600000000 ] - [ 0.0003380800000000, -0.0000215400000000, 0.0004179300000000 ] - [ -0.0000956700000000, -0.0002322100000000, 0.0001904600000000 ] - [ -0.0000734400000000, 0.0002083900000000, 0.0002522300000000 ] - [ -0.0000732500000000, -0.0003529100000000, 0.0000559600000000 ] - [ -0.0002619700000000, 0.0002343700000000, 0.0000517200000000 ] - [ 0.0002937000000000, 0.0001055500000000, 0.0000760800000000 ] - [ -0.0000419300000000, 0.0005128700000000, 0.0004046300000000 ] - [ 0.0004669800000000, -0.0002436100000000, 0.0004120900000000 ] - [ -0.0004340700000000, -0.0002760900000000, 0.0004045900000000 ] - [ -0.0006158900000000, -0.0000025400000000, -0.0000003400000000 ] - [ 0.0003018400000000, 0.0005293300000000, -0.0000038000000000 ] - [ 0.0003082500000000, -0.0005357000000000, 0.0000037000000000 ] - [ 0.0005205300000000, 0.0001819100000000, 0.0006397000000000 ] - [ -0.0002085000000000, -0.0006197200000000, 0.0004410900000000 ] - [ -0.0004587100000000, 0.0005314200000000, 0.0004542600000000 ] - [ 0.0002344700000000, 0.0001990700000000, 0.0000735900000000 ] - [ 0.0000492700000000, -0.0002936600000000, 0.0000670800000000 ] - [ -0.0002758900000000, 0.0001095400000000, 0.0000631800000000 ] - [ -0.0001553200000000, -0.0001660300000000, 0.0004655800000000 ] - [ -0.0000622600000000, 0.0002458400000000, 0.0004544300000000 ] - [ 0.0002427000000000, -0.0000375000000000, 0.0004320200000000 ]- atom: 127 displacement: [ 0.0100000000000000, 0.0000000000216584, 0.0000000000000000 ] forces: - [ -0.0000001200000000, 0.0000534400000000, -0.0005448400000000 ] - [ -0.0000631700000000, 0.0002598300000000, 0.0005935700000000 ] - [ 0.0008359800000000, -0.0005404100000000, 0.0007801200000000 ] - [ -0.0000651000000000, -0.0000174100000000, 0.0001238000000000 ] - [ -0.0000032800000000, -0.0000013200000000, -0.0005375100000000 ] - [ 0.0000013700000000, 0.0000005100000000, 0.0005149100000000 ] - [ -0.0000021700000000, -0.0000003000000000, -0.0001270200000000 ] - [ 0.0000011300000000, 0.0000046700000000, 0.0001045800000000 ] - [ 0.0001661800000000, -0.0012204700000000, 0.0007582300000000 ] - [ -0.0000280400000000, -0.0000254400000000, 0.0005226000000000 ] - [ 0.0000049600000000, 0.0000456500000000, -0.0001188600000000 ] - [ 0.0009451800000000, -0.0007875700000000, -0.0007162300000000 ] - [ -0.0000360900000000, -0.0000038900000000, -0.0000377400000000 ] - [ 0.0001376100000000, 0.0018870700000000, 0.0015276600000000 ] - [ -0.0020724300000000, -0.0003765900000000, -0.0002802500000000 ] - [ -0.0007243500000000, 0.0001703300000000, 0.0006741200000000 ] - [ 0.0061200200000000, -0.0119289500000000, 0.0108725300000000 ] - [ -0.0000745500000000, 0.0002701800000000, -0.0005455400000000 ] - [ 0.0002651600000000, -0.0000726500000000, -0.0005512500000000 ] - [ -0.0002028900000000, -0.0002179500000000, -0.0005870200000000 ] - [ 0.0004317100000000, -0.0005357400000000, 0.0005209400000000 ] - [ -0.0002710100000000, 0.0001076900000000, 0.0000308800000000 ] - [ 0.0000881000000000, 0.0003309700000000, 0.0001213800000000 ] - [ -0.0001096400000000, 0.0004314300000000, 0.0002346800000000 ] - [ 0.0003049800000000, -0.0000071300000000, -0.0000190500000000 ] - [ -0.0003502300000000, -0.0004693300000000, 0.0000192600000000 ] - [ 0.0000759700000000, 0.0001964400000000, -0.0002553700000000 ] - [ 0.0001305900000000, -0.0001546700000000, -0.0002653800000000 ] - [ -0.0002069000000000, -0.0000468600000000, -0.0002603400000000 ] - [ 0.0000240500000000, -0.0017552000000000, -0.0003116400000000 ] - [ -0.0014486200000000, -0.0014453500000000, 0.0003793700000000 ] - [ 0.0004489600000000, 0.0006573300000000, 0.0008705500000000 ] - [ -0.0002957100000000, -0.0000698600000000, 0.0004201800000000 ] - [ -0.0001518600000000, 0.0001279000000000, 0.0002567500000000 ] - [ 0.0005047500000000, 0.0001414000000000, 0.0002169300000000 ] - [ -0.0000513700000000, 0.0002378700000000, -0.0001347700000000 ] - [ 0.0000814100000000, -0.0000165900000000, -0.0002897700000000 ] - [ 0.0000141500000000, -0.0000947600000000, -0.0010214000000000 ] - [ 0.0043708200000000, 0.0066317500000000, 0.0073100100000000 ] - [ -0.0010241800000000, 0.0010322400000000, 0.0012135200000000 ] - [ 0.0001964900000000, -0.0007736700000000, 0.0000131400000000 ] - [ 0.0008282500000000, -0.0002129500000000, -0.0001479400000000 ] - [ -0.0006787200000000, -0.0005925700000000, -0.0000888500000000 ] - [ -0.0002171500000000, 0.0008530700000000, -0.0000828200000000 ] - [ -0.0001079100000000, -0.0003872900000000, 0.0000926800000000 ] - [ -0.0002893700000000, 0.0002038500000000, -0.0000239000000000 ] - [ 0.0003177600000000, 0.0001671300000000, 0.0000105400000000 ] - [ -0.0001593200000000, 0.0005737900000000, 0.0001509100000000 ] - [ 0.0008046100000000, -0.0006266900000000, -0.0002402600000000 ] - [ -0.0003916800000000, -0.0003465600000000, 0.0017454000000000 ] - [ 0.0000083900000000, -0.0000026100000000, -0.0000550400000000 ] - [ -0.0000051100000000, -0.0000092900000000, 0.0000867700000000 ] - [ 0.0000822700000000, -0.0002925500000000, 0.0005910900000000 ] - [ -0.0002786400000000, 0.0000791000000000, 0.0005885100000000 ] - [ 0.0002027100000000, 0.0002239400000000, 0.0005973000000000 ] - [ -0.0000664400000000, 0.0002593500000000, -0.0005292100000000 ] - [ 0.0002735000000000, -0.0000787600000000, -0.0005657000000000 ] - [ -0.0002094200000000, -0.0002168400000000, -0.0005702300000000 ] - [ 0.0002953900000000, -0.0003141900000000, 0.0001369800000000 ] - [ -0.0004219100000000, -0.0001008800000000, 0.0001386000000000 ] - [ 0.0001241400000000, 0.0004154100000000, 0.0001380500000000 ] - [ -0.0002908200000000, 0.0003066900000000, -0.0001108600000000 ] - [ 0.0004090000000000, 0.0000982600000000, -0.0001086300000000 ] - [ -0.0001224700000000, -0.0004031800000000, -0.0001078900000000 ] - [ 0.0000570900000000, 0.0002002500000000, -0.0002648000000000 ] - [ 0.0001322000000000, -0.0001456900000000, -0.0002599000000000 ] - [ -0.0001831900000000, -0.0000127100000000, -0.0002983800000000 ] - [ -0.0000762500000000, -0.0001920500000000, 0.0002827000000000 ] - [ -0.0001350600000000, 0.0001637800000000, 0.0002950600000000 ] - [ 0.0001888500000000, 0.0000366500000000, 0.0003087800000000 ] - [ -0.0000491500000000, -0.0001916800000000, 0.0002842100000000 ] - [ -0.0001393200000000, 0.0001386500000000, 0.0002853200000000 ] - [ 0.0001853400000000, 0.0000539000000000, 0.0002880700000000 ] - [ 0.0000464600000000, 0.0001879200000000, -0.0002501800000000 ] - [ 0.0001381500000000, -0.0001331500000000, -0.0002500500000000 ] - [ -0.0001831200000000, -0.0000579400000000, -0.0002503900000000 ] - [ -0.0008688400000000, 0.0002318500000000, 0.0001239500000000 ] - [ 0.0006334500000000, 0.0006220200000000, 0.0001123900000000 ] - [ 0.0002305800000000, -0.0008677200000000, 0.0001267300000000 ] - [ 0.0008584800000000, -0.0002368300000000, -0.0000816900000000 ] - [ -0.0006287900000000, -0.0006314500000000, -0.0000838600000000 ] - [ -0.0002296200000000, 0.0008705800000000, -0.0000887200000000 ] - [ -0.0000442600000000, -0.0003884800000000, 0.0000269400000000 ] - [ -0.0003226200000000, 0.0002326300000000, 0.0000170300000000 ] - [ 0.0003630600000000, 0.0001619600000000, 0.0000203400000000 ] - [ 0.0000268000000000, 0.0003919000000000, 0.0000131700000000 ] - [ 0.0003301300000000, -0.0002200800000000, 0.0000222700000000 ] - [ -0.0003596500000000, -0.0001752600000000, 0.0000083900000000 ] - [ 0.0000313200000000, -0.0008218000000000, -0.0002023700000000 ] - [ 0.0000069700000000, 0.0000881600000000, 0.0000635800000000 ] - [ 0.0000741700000000, -0.0002665900000000, 0.0005698700000000 ] - [ -0.0003061000000000, 0.0000619500000000, 0.0006099400000000 ] - [ 0.0002043600000000, 0.0001911000000000, 0.0005653600000000 ] - [ -0.0002200300000000, 0.0008328400000000, -0.0004476900000000 ] - [ 0.0220415700000000, 0.0117311400000000, -0.0284650300000000 ] - [ -0.0009211300000000, -0.0001336400000000, -0.0008130600000000 ] - [ 0.0006526000000000, -0.0003797300000000, 0.0002768100000000 ] - [ -0.0002327400000000, 0.0001834600000000, -0.0002985100000000 ] - [ -0.0000706700000000, 0.0004973700000000, 0.0000020100000000 ] - [ -0.0002408500000000, 0.0004527100000000, -0.0002319800000000 ] - [ 0.0004078600000000, 0.0001136200000000, -0.0001127100000000 ] - [ 0.0000484800000000, -0.0003259700000000, 0.0001151100000000 ] - [ 0.0001878500000000, 0.0006895000000000, -0.0001971400000000 ] - [ 0.0479091200000000, -0.0078227400000000, 0.0173645400000000 ] - [ -0.0013846200000000, 0.0004402100000000, -0.0003201300000000 ] - [ -0.0000787200000000, -0.0001886600000000, 0.0002970500000000 ] - [ -0.0001408600000000, 0.0001570100000000, 0.0002878100000000 ] - [ 0.0002222900000000, 0.0000442300000000, 0.0003042300000000 ] - [ -0.0000034500000000, -0.0002136500000000, 0.0000241500000000 ] - [ -0.0004550000000000, 0.0000296300000000, 0.0005112000000000 ] - [ 0.0001043800000000, -0.0005838400000000, 0.0003453900000000 ] - [ 0.0003243600000000, 0.0000869800000000, -0.0004722900000000 ] - [ 0.0001416900000000, -0.0004436400000000, 0.0001097300000000 ] - [ -0.0004764600000000, -0.0000493200000000, -0.0005239600000000 ] - [ -0.0008142600000000, 0.0002216900000000, 0.0001354300000000 ] - [ 0.0006595600000000, 0.0006183000000000, 0.0000809900000000 ] - [ 0.0001956200000000, -0.0008739800000000, 0.0002966100000000 ] - [ 0.0007985000000000, -0.0006538100000000, -0.0003256200000000 ] - [ -0.0004640200000000, -0.0005337100000000, -0.0001563700000000 ] - [ -0.0010192000000000, -0.0000186600000000, 0.0002341700000000 ] - [ -0.0001496600000000, -0.0009432600000000, -0.0000307500000000 ] - [ 0.0000037000000000, -0.0000386000000000, 0.0004162400000000 ] - [ 0.0001811400000000, -0.0001095900000000, -0.0000448500000000 ] - [ 0.0001560500000000, 0.0004239000000000, -0.0001115600000000 ] - [ 0.0001753800000000, -0.0002035100000000, -0.0000008800000000 ] - [ -0.0003332600000000, -0.0001951800000000, -0.0000340400000000 ] - [ -0.0901492900000000, -0.0006031300000000, -0.0010106700000000 ] - [ 0.0021576400000000, -0.0003238300000000, -0.0002098700000000 ] - [ 0.0007152000000000, -0.0005069400000000, 0.0001264000000000 ] - [ 0.0000296900000000, -0.0000937200000000, 0.0001377200000000 ] - [ -0.0000598400000000, 0.0000169600000000, 0.0001230000000000 ] - [ 0.0000672500000000, 0.0000687900000000, 0.0001177100000000 ] - [ 0.0002120200000000, -0.0003258100000000, -0.0003377000000000 ] - [ -0.0008984200000000, 0.0004870200000000, -0.0001462400000000 ] - [ 0.0003798600000000, 0.0002089200000000, -0.0003086000000000 ] - [ 0.0002296900000000, 0.0000899500000000, 0.0000601900000000 ] - [ 0.0005049300000000, 0.0000045400000000, 0.0003606600000000 ] - [ 0.0005285000000000, -0.0001325500000000, -0.0005055200000000 ] - [ 0.0059968000000000, -0.0002510200000000, -0.0103358600000000 ] - [ 0.0009641400000000, -0.0000409400000000, -0.0002560500000000 ] - [ -0.0023399500000000, -0.0014923500000000, -0.0020415600000000 ] - [ 0.0006480800000000, -0.0000208300000000, 0.0002043500000000 ] - [ -0.0002575000000000, -0.0005329200000000, 0.0001586800000000 ] - [ -0.0002896100000000, 0.0005550700000000, 0.0001977100000000 ] - [ -0.0014740600000000, -0.0015502100000000, -0.0000720800000000 ] - [ 0.0005321700000000, -0.0009315600000000, -0.0006782400000000 ] - [ -0.0005757600000000, -0.0001740000000000, -0.0003275900000000 ] - [ -0.0000846700000000, -0.0002663200000000, 0.0003111100000000 ] - [ 0.0000760800000000, 0.0002956100000000, 0.0000568500000000 ] - [ 0.0002678000000000, -0.0001322800000000, 0.0001794900000000 ] - [ -0.0000120500000000, -0.0000483300000000, -0.0001576200000000 ] - [ -0.0000308300000000, 0.0000693400000000, -0.0001507900000000 ] - [ 0.0000190600000000, -0.0000062800000000, -0.0001809900000000 ] - [ 0.0000418000000000, 0.0000592400000000, 0.0001089700000000 ] - [ -0.0000070400000000, 0.0000075100000000, 0.0001002100000000 ] - [ -0.0000235700000000, -0.0000111500000000, 0.0001413000000000 ] - [ -0.0000000500000000, -0.0003298500000000, -0.0001765200000000 ] - [ -0.0002777100000000, 0.0001489700000000, -0.0001734000000000 ] - [ 0.0002714000000000, 0.0001801800000000, -0.0001736600000000 ] - [ -0.0000022700000000, 0.0003190800000000, 0.0001308800000000 ] - [ 0.0002711100000000, -0.0001451100000000, 0.0001278500000000 ] - [ -0.0002675300000000, -0.0001763600000000, 0.0001296500000000 ] - [ -0.0006288800000000, -0.0002847000000000, -0.0002648600000000 ] - [ 0.0000661900000000, 0.0006843800000000, -0.0002731700000000 ] - [ 0.0005612800000000, -0.0003858000000000, -0.0002834100000000 ] - [ 0.0006182500000000, 0.0002916300000000, 0.0002277700000000 ] - [ -0.0000633400000000, -0.0006973100000000, 0.0002090500000000 ] - [ -0.0005661600000000, 0.0003921400000000, 0.0002298000000000 ] - [ 0.0001893000000000, 0.0002934200000000, -0.0001773600000000 ] - [ 0.0001531500000000, -0.0003020300000000, -0.0001732400000000 ] - [ -0.0003477200000000, 0.0000148000000000, -0.0001780000000000 ] - [ -0.0001964900000000, -0.0002816500000000, 0.0001177100000000 ] - [ -0.0001568000000000, 0.0003118300000000, 0.0001137400000000 ] - [ 0.0003468900000000, -0.0000243600000000, 0.0001204600000000 ] - [ -0.0000131700000000, 0.0000765700000000, -0.0001708500000000 ] - [ 0.0000745800000000, -0.0000286000000000, -0.0001359400000000 ] - [ 0.0000117400000000, -0.0000607700000000, -0.0002187900000000 ] - [ 0.0014213300000000, -0.0000805600000000, 0.0006215400000000 ] - [ -0.0005403000000000, -0.0022772000000000, -0.0022134200000000 ] - [ 0.0057429800000000, 0.0059224200000000, 0.0024965700000000 ] - [ 0.0002430700000000, -0.0004877600000000, 0.0000332000000000 ] - [ -0.0008117000000000, 0.0005869400000000, -0.0010358400000000 ] - [ -0.0000088700000000, -0.0001681200000000, 0.0003607300000000 ] - [ -0.0006558700000000, 0.0001459400000000, 0.0001749800000000 ] - [ 0.0004727800000000, -0.0003593900000000, 0.0004397400000000 ] - [ -0.0004428500000000, -0.0000894500000000, 0.0000461800000000 ] - [ -0.0006642000000000, -0.0000385200000000, -0.0002251000000000 ] - [ 0.0002378500000000, 0.0004214200000000, -0.0002368200000000 ] - [ 0.0002916700000000, -0.0005610100000000, -0.0002263800000000 ] - [ 0.0009563800000000, 0.0045790800000000, 0.0023660500000000 ] - [ 0.0003826600000000, 0.0000810500000000, -0.0000194000000000 ] - [ -0.0006791500000000, 0.0015679000000000, 0.0001321000000000 ] - [ 0.0000616900000000, 0.0002974000000000, -0.0001014000000000 ] - [ -0.0000040900000000, -0.0003634900000000, -0.0000805400000000 ] - [ 0.0000311800000000, 0.0002755000000000, -0.0005085600000000 ] - [ 0.0004585800000000, 0.0004304400000000, 0.0003331000000000 ] - [ -0.0000679700000000, 0.0007495500000000, 0.0010600000000000 ] - [ 0.0011013500000000, 0.0012288100000000, -0.0014194100000000 ]- atom: 127 displacement: [ -0.0100000000000000, -0.0000000000216584, 0.0000000000000000 ] forces: - [ 0.0000011700000000, -0.0000554700000000, -0.0005017600000000 ] - [ 0.0000626000000000, -0.0002591100000000, 0.0004539700000000 ] - [ -0.0008281500000000, 0.0005374300000000, -0.0009985000000000 ] - [ 0.0000619800000000, 0.0000173600000000, 0.0001024600000000 ] - [ 0.0000027900000000, 0.0000005100000000, -0.0005106800000000 ] - [ -0.0000034700000000, 0.0000003000000000, 0.0005341800000000 ] - [ 0.0000015800000000, 0.0000019000000000, -0.0000990400000000 ] - [ -0.0000031500000000, -0.0000063600000000, 0.0001224400000000 ] - [ -0.0001725700000000, 0.0012167100000000, -0.0018049100000000 ] - [ 0.0000240000000000, 0.0000270100000000, 0.0005249600000000 ] - [ -0.0000040500000000, -0.0000455400000000, -0.0001066000000000 ] - [ -0.0009443600000000, 0.0007858000000000, 0.0009381200000000 ] - [ 0.0000358400000000, 0.0000039900000000, -0.0000764900000000 ] - [ -0.0001383400000000, -0.0018936300000000, -0.0013847200000000 ] - [ 0.0022170200000000, -0.0002013000000000, 0.0014347000000000 ] - [ 0.0001507600000000, -0.0000167800000000, 0.0004813700000000 ] - [ -0.0058552700000000, 0.0124382900000000, -0.0097689000000000 ] - [ -0.0000780900000000, 0.0002729500000000, -0.0006095600000000 ] - [ 0.0002789500000000, -0.0000686700000000, -0.0006033900000000 ] - [ -0.0001927400000000, -0.0001848900000000, -0.0005652000000000 ] - [ 0.0001800900000000, -0.0000940700000000, -0.0002825200000000 ] - [ -0.0005821000000000, -0.0003220500000000, 0.0002119100000000 ] - [ 0.0001500400000000, 0.0005189900000000, 0.0001169700000000 ] - [ -0.0004839900000000, 0.0001862000000000, -0.0004891600000000 ] - [ 0.0005258500000000, 0.0002092500000000, -0.0002387100000000 ] - [ 0.0001089700000000, -0.0003506800000000, -0.0002775100000000 ] - [ 0.0000650400000000, 0.0002013600000000, -0.0003071900000000 ] - [ 0.0001411300000000, -0.0001649600000000, -0.0002969100000000 ] - [ -0.0002008800000000, -0.0000177600000000, -0.0003054900000000 ] - [ -0.0001267400000000, 0.0013644500000000, 0.0008906700000000 ] - [ 0.0011698600000000, 0.0017277000000000, 0.0002021200000000 ] - [ -0.0000726700000000, -0.0005580300000000, -0.0002859000000000 ] - [ 0.0001364400000000, -0.0003514100000000, 0.0001182400000000 ] - [ -0.0001333200000000, 0.0002163300000000, 0.0002840500000000 ] - [ -0.0000697100000000, -0.0000671400000000, 0.0003244200000000 ] - [ 0.0001635900000000, 0.0001945400000000, -0.0003991700000000 ] - [ 0.0002347700000000, -0.0002944300000000, -0.0002470600000000 ] - [ -0.0004408400000000, -0.0000286500000000, 0.0004883000000000 ] - [ -0.0061802300000000, -0.0061793500000000, -0.0071261000000000 ] - [ 0.0022963200000000, 0.0002139400000000, -0.0010002200000000 ] - [ 0.0002447700000000, -0.0009606900000000, 0.0001983200000000 ] - [ 0.0008493400000000, -0.0002695000000000, -0.0000758800000000 ] - [ -0.0005771000000000, -0.0006155300000000, -0.0001352000000000 ] - [ -0.0002073300000000, 0.0008355800000000, -0.0001415900000000 ] - [ 0.0000418300000000, -0.0003411900000000, -0.0000822100000000 ] - [ -0.0003134000000000, 0.0002160500000000, 0.0000354900000000 ] - [ 0.0003501500000000, 0.0001458000000000, 0.0000029200000000 ] - [ 0.0002085400000000, 0.0001763600000000, -0.0001735300000000 ] - [ -0.0001749100000000, 0.0002084700000000, 0.0002187900000000 ] - [ -0.0002872500000000, 0.0000033700000000, -0.0017738300000000 ] - [ -0.0000090600000000, 0.0000027900000000, -0.0000895500000000 ] - [ 0.0000032200000000, 0.0000090800000000, 0.0000577100000000 ] - [ 0.0000712300000000, -0.0002746900000000, 0.0005689500000000 ] - [ -0.0002900000000000, 0.0000712200000000, 0.0005718800000000 ] - [ 0.0002095600000000, 0.0001941200000000, 0.0005606400000000 ] - [ -0.0000900500000000, 0.0003083100000000, -0.0006314700000000 ] - [ 0.0002922700000000, -0.0000719200000000, -0.0005942900000000 ] - [ -0.0002053600000000, -0.0002021600000000, -0.0005878100000000 ] - [ 0.0002921100000000, -0.0003039400000000, 0.0001129500000000 ] - [ -0.0004065900000000, -0.0000972300000000, 0.0001121800000000 ] - [ 0.0001157300000000, 0.0004023600000000, 0.0001100500000000 ] - [ -0.0002996900000000, 0.0003115100000000, -0.0001391600000000 ] - [ 0.0004171000000000, 0.0000997700000000, -0.0001422500000000 ] - [ -0.0001201800000000, -0.0004152500000000, -0.0001405700000000 ] - [ 0.0000838100000000, 0.0001789800000000, -0.0003035000000000 ] - [ 0.0001241400000000, -0.0001647200000000, -0.0003090300000000 ] - [ -0.0002084100000000, -0.0000425100000000, -0.0002740700000000 ] - [ -0.0000669800000000, -0.0001876600000000, 0.0002854700000000 ] - [ -0.0001233200000000, 0.0001462300000000, 0.0002739500000000 ] - [ 0.0002002800000000, 0.0000186600000000, 0.0002635600000000 ] - [ -0.0000483800000000, -0.0001886700000000, 0.0002510800000000 ] - [ -0.0001427300000000, 0.0001316500000000, 0.0002520100000000 ] - [ 0.0001839100000000, 0.0000572500000000, 0.0002484400000000 ] - [ 0.0000485600000000, 0.0001923900000000, -0.0002853000000000 ] - [ 0.0001413100000000, -0.0001372800000000, -0.0002874600000000 ] - [ -0.0001887000000000, -0.0000529200000000, -0.0002864800000000 ] - [ -0.0008606000000000, 0.0002406600000000, 0.0000840000000000 ] - [ 0.0006345700000000, 0.0006328900000000, 0.0000959200000000 ] - [ 0.0002244000000000, -0.0008572100000000, 0.0000815400000000 ] - [ 0.0008683900000000, -0.0002355200000000, -0.0001263100000000 ] - [ -0.0006418300000000, -0.0006236100000000, -0.0001245100000000 ] - [ -0.0002279200000000, 0.0008543400000000, -0.0001197700000000 ] - [ -0.0000247300000000, -0.0003961000000000, -0.0000188400000000 ] - [ -0.0003257500000000, 0.0002174500000000, -0.0000086500000000 ] - [ 0.0003546300000000, 0.0001760800000000, -0.0000100000000000 ] - [ 0.0000398400000000, 0.0003925100000000, -0.0000213800000000 ] - [ 0.0003157000000000, -0.0002303600000000, -0.0000305200000000 ] - [ -0.0003607300000000, -0.0001626400000000, -0.0000188900000000 ] - [ -0.0000315900000000, 0.0008214300000000, 0.0000578900000000 ] - [ -0.0000092000000000, -0.0000886700000000, 0.0000505900000000 ] - [ 0.0000754500000000, -0.0002764300000000, 0.0005850400000000 ] - [ -0.0002397400000000, 0.0000799400000000, 0.0005447300000000 ] - [ 0.0001883800000000, 0.0002119000000000, 0.0005865600000000 ] - [ 0.0000621700000000, -0.0002574100000000, -0.0007048300000000 ] - [ -0.0211470500000000, -0.0115189400000000, 0.0265726300000000 ] - [ 0.0005006300000000, -0.0002866400000000, -0.0003359700000000 ] - [ -0.0000603400000000, -0.0002388000000000, -0.0000196000000000 ] - [ -0.0005982400000000, -0.0003833900000000, 0.0005602700000000 ] - [ 0.0003095700000000, 0.0003254600000000, 0.0002528300000000 ] - [ -0.0003739900000000, 0.0001790900000000, -0.0000081400000000 ] - [ 0.0004442100000000, 0.0001006500000000, -0.0001286500000000 ] - [ -0.0002896700000000, -0.0005240900000000, -0.0003535400000000 ] - [ -0.0000889600000000, -0.0003042000000000, -0.0003814700000000 ] - [ -0.0497800600000000, 0.0078947800000000, -0.0187482100000000 ] - [ 0.0010021400000000, -0.0005323600000000, -0.0002575500000000 ] - [ -0.0000647900000000, -0.0002092900000000, 0.0002653500000000 ] - [ -0.0001337300000000, 0.0001624900000000, 0.0002743100000000 ] - [ 0.0001828700000000, 0.0000203500000000, 0.0002614300000000 ] - [ -0.0001104200000000, -0.0002185700000000, 0.0005061700000000 ] - [ 0.0001364100000000, 0.0002810600000000, 0.0000251100000000 ] - [ 0.0003174000000000, 0.0007060400000000, 0.0001902500000000 ] - [ -0.0001662600000000, 0.0003339200000000, -0.0000664300000000 ] - [ 0.0001405500000000, 0.0001007300000000, -0.0006504800000000 ] - [ 0.0000361900000000, -0.0000266400000000, -0.0000170200000000 ] - [ -0.0008659200000000, 0.0002603200000000, 0.0000883400000000 ] - [ 0.0005940600000000, 0.0005896200000000, 0.0001427500000000 ] - [ 0.0002259100000000, -0.0008144400000000, -0.0000728700000000 ] - [ 0.0009274900000000, 0.0001640500000000, 0.0001198200000000 ] - [ -0.0008142600000000, -0.0007041600000000, -0.0000430000000000 ] - [ 0.0005798600000000, 0.0017570900000000, -0.0004403100000000 ] - [ 0.0000993300000000, 0.0001899000000000, 0.0000514200000000 ] - [ -0.0006350400000000, 0.0004519100000000, -0.0003878000000000 ] - [ 0.0005000800000000, 0.0004510200000000, 0.0000752400000000 ] - [ -0.0000926600000000, 0.0003045100000000, 0.0001011800000000 ] - [ 0.0004251000000000, -0.0002171100000000, -0.0000106800000000 ] - [ -0.0003371100000000, -0.0001183100000000, 0.0000214800000000 ] - [ 0.0920267200000000, -0.0001455600000000, 0.0024128700000000 ] - [ -0.0018768200000000, 0.0006735000000000, 0.0000386100000000 ] - [ -0.0005395300000000, 0.0001000300000000, -0.0002938900000000 ] - [ 0.0000129000000000, -0.0000597100000000, 0.0001626100000000 ] - [ -0.0001058400000000, 0.0000295400000000, 0.0001720600000000 ] - [ 0.0000455300000000, 0.0000705700000000, 0.0001807900000000 ] - [ -0.0001407500000000, -0.0006488500000000, -0.0000769200000000 ] - [ 0.0000349400000000, -0.0000439200000000, -0.0002690300000000 ] - [ 0.0004405900000000, 0.0003167500000000, -0.0001093600000000 ] - [ -0.0000956200000000, 0.0006626600000000, 0.0002252300000000 ] - [ 0.0000703900000000, -0.0004791100000000, -0.0000816000000000 ] - [ -0.0012433900000000, -0.0001208200000000, 0.0007958300000000 ] - [ -0.0073477100000000, -0.0000684800000000, 0.0098146400000000 ] - [ -0.0006200300000000, 0.0013124600000000, -0.0002920700000000 ] - [ 0.0032787900000000, 0.0005472500000000, 0.0014998200000000 ] - [ 0.0005929100000000, 0.0000089900000000, 0.0002205400000000 ] - [ -0.0003723900000000, -0.0005337800000000, 0.0002679700000000 ] - [ -0.0003238200000000, 0.0005324500000000, 0.0002264200000000 ] - [ 0.0018880900000000, 0.0018821200000000, -0.0003120300000000 ] - [ -0.0004579900000000, 0.0004255900000000, 0.0003065600000000 ] - [ 0.0001025300000000, 0.0003542600000000, -0.0000443400000000 ] - [ -0.0003346300000000, -0.0001620200000000, 0.0000698600000000 ] - [ -0.0002340300000000, 0.0002587500000000, 0.0003274600000000 ] - [ 0.0002952300000000, -0.0000140200000000, 0.0002056700000000 ] - [ -0.0000304200000000, -0.0000286500000000, -0.0001279300000000 ] - [ -0.0000239800000000, 0.0000032900000000, -0.0001298200000000 ] - [ 0.0000696600000000, 0.0000043200000000, -0.0001031000000000 ] - [ -0.0000021900000000, 0.0000177700000000, 0.0001781100000000 ] - [ 0.0000590000000000, -0.0000798400000000, 0.0001815600000000 ] - [ -0.0000675700000000, 0.0000130500000000, 0.0001439000000000 ] - [ 0.0000014800000000, -0.0003114200000000, -0.0001273400000000 ] - [ -0.0002770800000000, 0.0001561300000000, -0.0001299500000000 ] - [ 0.0002690400000000, 0.0001710900000000, -0.0001314700000000 ] - [ -0.0000018100000000, 0.0003224100000000, 0.0001744600000000 ] - [ 0.0002808300000000, -0.0001593500000000, 0.0001766100000000 ] - [ -0.0002756900000000, -0.0001749500000000, 0.0001769600000000 ] - [ -0.0006280100000000, -0.0003006300000000, -0.0002289300000000 ] - [ 0.0000565400000000, 0.0006815800000000, -0.0002227700000000 ] - [ 0.0005693400000000, -0.0004084900000000, -0.0002089600000000 ] - [ 0.0006360700000000, 0.0002936500000000, 0.0002670900000000 ] - [ -0.0000619400000000, -0.0006689600000000, 0.0002881300000000 ] - [ -0.0005671300000000, 0.0004019900000000, 0.0002638700000000 ] - [ 0.0001901500000000, 0.0002834800000000, -0.0001168100000000 ] - [ 0.0001527700000000, -0.0003156700000000, -0.0001213100000000 ] - [ -0.0003439700000000, 0.0000252800000000, -0.0001171600000000 ] - [ -0.0001853800000000, -0.0002953700000000, 0.0001781200000000 ] - [ -0.0001516000000000, 0.0003056000000000, 0.0001825000000000 ] - [ 0.0003424200000000, -0.0000157200000000, 0.0001761600000000 ] - [ -0.0000317100000000, 0.0000776000000000, -0.0001281400000000 ] - [ 0.0000884800000000, -0.0000178800000000, -0.0001580800000000 ] - [ -0.0001276200000000, -0.0000788400000000, -0.0000776700000000 ] - [ -0.0009662200000000, 0.0000224300000000, -0.0004564100000000 ] - [ 0.0002648300000000, 0.0019252400000000, 0.0023717200000000 ] - [ -0.0058888700000000, -0.0054605500000000, -0.0023412500000000 ] - [ -0.0003802900000000, -0.0002656000000000, -0.0003147900000000 ] - [ 0.0002324800000000, -0.0001138900000000, 0.0007518700000000 ] - [ 0.0007138900000000, 0.0004163500000000, -0.0006473200000000 ] - [ 0.0005834600000000, 0.0008289400000000, 0.0002392200000000 ] - [ 0.0003909400000000, -0.0000827600000000, -0.0000229400000000 ] - [ -0.0003820600000000, -0.0004330700000000, 0.0003715600000000 ] - [ -0.0005803000000000, 0.0000508300000000, -0.0001984700000000 ] - [ 0.0003896300000000, 0.0006456300000000, -0.0001882100000000 ] - [ 0.0003191900000000, -0.0005263200000000, -0.0001966500000000 ] - [ 0.0003096200000000, -0.0042558400000000, -0.0018350200000000 ] - [ -0.0007307700000000, -0.0013546600000000, 0.0005599600000000 ] - [ -0.0002460200000000, -0.0006267700000000, 0.0004059300000000 ] - [ 0.0003547800000000, 0.0001313400000000, -0.0002790500000000 ] - [ 0.0001580300000000, -0.0001919200000000, -0.0003018300000000 ] - [ -0.0005976700000000, -0.0001300200000000, 0.0001248400000000 ] - [ -0.0008568300000000, -0.0007521400000000, 0.0000349700000000 ] - [ -0.0000133400000000, -0.0002454000000000, -0.0006852000000000 ] - [ -0.0006314700000000, -0.0014160400000000, 0.0017974800000000 ]- atom: 127 displacement: [ -0.0050000000088145, 0.0086602540327554, 0.0000000000000000 ] forces: - [ 0.0000462400000000, 0.0000098800000000, -0.0004958400000000 ] - [ 0.0003715000000000, 0.0000683600000000, 0.0003918600000000 ] - [ -0.0015097200000000, -0.0004632700000000, -0.0011793700000000 ] - [ -0.0000957800000000, 0.0000274400000000, 0.0001827700000000 ] - [ 0.0000010600000000, -0.0000015100000000, -0.0004949900000000 ] - [ -0.0000003700000000, -0.0000054000000000, 0.0005487700000000 ] - [ -0.0000029800000000, -0.0000010900000000, -0.0000827400000000 ] - [ 0.0000015200000000, -0.0000000100000000, 0.0001378600000000 ] - [ -0.0003719400000000, 0.0006517700000000, -0.0012500900000000 ] - [ -0.0000008000000000, 0.0000281300000000, 0.0005434000000000 ] - [ 0.0000435800000000, 0.0000411800000000, -0.0000540100000000 ] - [ -0.0005351000000000, -0.0003413300000000, 0.0006791500000000 ] - [ -0.0000067500000000, 0.0000352200000000, -0.0001034200000000 ] - [ 0.0012228500000000, -0.0014249300000000, -0.0005298600000000 ] - [ 0.0003864800000000, -0.0000622100000000, 0.0007206700000000 ] - [ 0.0002821100000000, -0.0002233700000000, 0.0005386300000000 ] - [ -0.0127480600000000, 0.0378526800000000, -0.0281520800000000 ] - [ -0.0000834100000000, 0.0002817500000000, -0.0006214100000000 ] - [ 0.0002731600000000, -0.0000907700000000, -0.0006384300000000 ] - [ -0.0002004700000000, -0.0002423600000000, -0.0006732800000000 ] - [ 0.0002397500000000, -0.0001945100000000, 0.0001239600000000 ] - [ -0.0009442000000000, -0.0005798600000000, 0.0001755600000000 ] - [ 0.0001801300000000, 0.0002045200000000, 0.0000085900000000 ] - [ -0.0010142300000000, 0.0001745200000000, -0.0009303300000000 ] - [ 0.0003392000000000, 0.0000229800000000, -0.0001739000000000 ] - [ 0.0003170600000000, -0.0004656900000000, -0.0002857500000000 ] - [ 0.0000722300000000, 0.0002129800000000, -0.0003198500000000 ] - [ 0.0001235300000000, -0.0001667500000000, -0.0003195600000000 ] - [ -0.0002106300000000, -0.0000424300000000, -0.0003277300000000 ] - [ -0.0004049300000000, -0.0002259100000000, 0.0008059000000000 ] - [ 0.0003345800000000, 0.0016014600000000, 0.0000437700000000 ] - [ -0.0005115400000000, -0.0015968200000000, -0.0004563100000000 ] - [ -0.0000787100000000, -0.0002422600000000, 0.0001569800000000 ] - [ 0.0000407500000000, 0.0000461200000000, 0.0003388800000000 ] - [ 0.0000238500000000, 0.0010179700000000, -0.0000628000000000 ] - [ -0.0000900600000000, 0.0002917100000000, -0.0001897700000000 ] - [ 0.0003963100000000, -0.0003789000000000, -0.0000812100000000 ] - [ -0.0001180400000000, 0.0000321100000000, -0.0011854800000000 ] - [ 0.0032652700000000, 0.0112740600000000, 0.0084918500000000 ] - [ 0.0015838400000000, 0.0004187000000000, -0.0006313100000000 ] - [ 0.0003509900000000, -0.0013472900000000, 0.0004992100000000 ] - [ 0.0007696900000000, -0.0001408000000000, -0.0001147900000000 ] - [ -0.0006370100000000, -0.0006350400000000, -0.0001109500000000 ] - [ -0.0001951800000000, 0.0008414800000000, -0.0001148000000000 ] - [ 0.0000196700000000, -0.0003827300000000, -0.0000377000000000 ] - [ -0.0002273700000000, 0.0003511300000000, 0.0000954800000000 ] - [ 0.0002145400000000, 0.0003167100000000, -0.0001518900000000 ] - [ 0.0003618500000000, -0.0000789200000000, -0.0001186100000000 ] - [ 0.0005794600000000, -0.0006201100000000, -0.0002872900000000 ] - [ 0.0007421900000000, 0.0002840100000000, -0.0016913600000000 ] - [ -0.0000029100000000, -0.0000047100000000, -0.0001051300000000 ] - [ -0.0000075200000000, 0.0000008200000000, 0.0000455500000000 ] - [ 0.0000705700000000, -0.0002863100000000, 0.0005374000000000 ] - [ -0.0002654500000000, 0.0000938700000000, 0.0005469100000000 ] - [ 0.0002057200000000, 0.0002036200000000, 0.0005556800000000 ] - [ -0.0000906400000000, 0.0002891300000000, -0.0006191400000000 ] - [ 0.0002890000000000, -0.0000694600000000, -0.0006173000000000 ] - [ -0.0002142400000000, -0.0002288000000000, -0.0006319800000000 ] - [ 0.0002843800000000, -0.0002982600000000, 0.0000951300000000 ] - [ -0.0003989400000000, -0.0000979000000000, 0.0000927300000000 ] - [ 0.0001155500000000, 0.0003965100000000, 0.0000937700000000 ] - [ -0.0003014400000000, 0.0003164100000000, -0.0001580700000000 ] - [ 0.0004256900000000, 0.0001052400000000, -0.0001617600000000 ] - [ -0.0001226200000000, -0.0004217100000000, -0.0001580200000000 ] - [ 0.0000805300000000, 0.0001913900000000, -0.0003182300000000 ] - [ 0.0001425400000000, -0.0001542600000000, -0.0003198900000000 ] - [ -0.0001959200000000, -0.0000126300000000, -0.0003066900000000 ] - [ -0.0000540500000000, -0.0001784700000000, 0.0002873500000000 ] - [ -0.0001386300000000, 0.0001650800000000, 0.0002234400000000 ] - [ 0.0001846000000000, 0.0000112200000000, 0.0002628600000000 ] - [ -0.0000430400000000, -0.0001902900000000, 0.0002263700000000 ] - [ -0.0001412000000000, 0.0001315200000000, 0.0002266400000000 ] - [ 0.0001805200000000, 0.0000577300000000, 0.0002283700000000 ] - [ 0.0000509900000000, 0.0001928500000000, -0.0003121700000000 ] - [ 0.0001393500000000, -0.0001413500000000, -0.0003090000000000 ] - [ -0.0001910000000000, -0.0000534000000000, -0.0003092100000000 ] - [ -0.0008602800000000, 0.0002363800000000, 0.0000659300000000 ] - [ 0.0006239600000000, 0.0006122200000000, 0.0000479500000000 ] - [ 0.0002217900000000, -0.0008583100000000, 0.0000642800000000 ] - [ 0.0008668900000000, -0.0002403700000000, -0.0001468200000000 ] - [ -0.0006346300000000, -0.0006285000000000, -0.0001454600000000 ] - [ -0.0002353300000000, 0.0008703900000000, -0.0001548900000000 ] - [ -0.0000157400000000, -0.0003935100000000, -0.0000359900000000 ] - [ -0.0003329100000000, 0.0002110500000000, -0.0000293800000000 ] - [ 0.0003534900000000, 0.0001852000000000, -0.0000344800000000 ] - [ 0.0000496700000000, 0.0003861800000000, -0.0000472400000000 ] - [ 0.0003132300000000, -0.0002363800000000, -0.0000397500000000 ] - [ -0.0003680500000000, -0.0001570600000000, -0.0000388200000000 ] - [ -0.0008468000000000, -0.0002168700000000, 0.0001792600000000 ] - [ 0.0000312300000000, 0.0000219800000000, 0.0000314500000000 ] - [ 0.0000429600000000, -0.0002362600000000, 0.0005062100000000 ] - [ -0.0002646400000000, 0.0000555800000000, 0.0005451400000000 ] - [ 0.0002010300000000, 0.0001888800000000, 0.0005472800000000 ] - [ 0.0012525000000000, -0.0010619300000000, -0.0013813200000000 ] - [ 0.0004407200000000, 0.0017380500000000, 0.0005258700000000 ] - [ 0.0000126300000000, -0.0001171600000000, -0.0004374500000000 ] - [ 0.0003536600000000, -0.0002973900000000, 0.0000669000000000 ] - [ -0.0004189900000000, 0.0000036700000000, 0.0002065800000000 ] - [ 0.0001856500000000, 0.0002384300000000, 0.0000727800000000 ] - [ -0.0003336900000000, 0.0002870700000000, -0.0000229900000000 ] - [ 0.0004567600000000, 0.0000379800000000, -0.0002264700000000 ] - [ -0.0000910900000000, -0.0004937500000000, -0.0002338000000000 ] - [ 0.0005706500000000, -0.0012671800000000, -0.0003414200000000 ] - [ -0.0309361400000000, 0.0057832100000000, -0.0117430200000000 ] - [ 0.0002264600000000, -0.0005335000000000, -0.0000680900000000 ] - [ -0.0000731200000000, -0.0001885900000000, 0.0002511400000000 ] - [ -0.0001262500000000, 0.0001461700000000, 0.0002414700000000 ] - [ 0.0002036800000000, 0.0000330100000000, 0.0002483700000000 ] - [ -0.0002446200000000, -0.0001168300000000, -0.0003843200000000 ] - [ -0.0002103800000000, 0.0000647100000000, 0.0002014400000000 ] - [ 0.0003144700000000, 0.0004414200000000, 0.0003004400000000 ] - [ 0.0001663600000000, 0.0001136000000000, -0.0004662500000000 ] - [ 0.0000566100000000, -0.0002771500000000, -0.0002237100000000 ] - [ -0.0000727100000000, -0.0000611800000000, -0.0000893100000000 ] - [ -0.0008385600000000, 0.0002642100000000, 0.0001034000000000 ] - [ 0.0006469800000000, 0.0006149600000000, 0.0000134000000000 ] - [ 0.0002110900000000, -0.0008594000000000, 0.0001060700000000 ] - [ 0.0008387600000000, -0.0001412800000000, 0.0000928000000000 ] - [ -0.0007424100000000, -0.0016133100000000, -0.0009262600000000 ] - [ -0.0001277800000000, 0.0007149700000000, -0.0001649500000000 ] - [ 0.0000218600000000, -0.0007304300000000, -0.0003141700000000 ] - [ -0.0006074900000000, 0.0005004900000000, -0.0003373200000000 ] - [ 0.0002003000000000, 0.0005551000000000, -0.0001235600000000 ] - [ -0.0000108100000000, 0.0004244900000000, 0.0000408700000000 ] - [ 0.0002995400000000, -0.0002292000000000, 0.0000062000000000 ] - [ -0.0002895400000000, -0.0001231400000000, -0.0000460900000000 ] - [ 0.0454063300000000, -0.0634078200000000, 0.0256459300000000 ] - [ -0.0004087100000000, 0.0005517500000000, -0.0003991700000000 ] - [ -0.0013806100000000, 0.0012755100000000, -0.0003938100000000 ] - [ 0.0000047000000000, -0.0001249900000000, 0.0002168700000000 ] - [ -0.0000944000000000, 0.0000331300000000, 0.0001769900000000 ] - [ 0.0000433100000000, 0.0000907700000000, 0.0001921600000000 ] - [ -0.0001556900000000, -0.0003158600000000, -0.0002052200000000 ] - [ -0.0004488300000000, -0.0004502500000000, -0.0006609300000000 ] - [ 0.0009173500000000, -0.0001345200000000, 0.0004253800000000 ] - [ -0.0002387800000000, 0.0012027800000000, 0.0000618100000000 ] - [ 0.0001736000000000, 0.0004156300000000, 0.0006546900000000 ] - [ -0.0006086700000000, 0.0001801400000000, 0.0003418900000000 ] - [ -0.0045326000000000, -0.0005958900000000, 0.0053687600000000 ] - [ -0.0006922500000000, 0.0019788100000000, -0.0008356900000000 ] - [ -0.0008915400000000, 0.0051046800000000, 0.0011545400000000 ] - [ 0.0007100800000000, -0.0000682100000000, 0.0003040700000000 ] - [ -0.0003194000000000, -0.0005409900000000, 0.0002721300000000 ] - [ -0.0003059000000000, 0.0004233500000000, 0.0002132300000000 ] - [ -0.0010888800000000, -0.0037310000000000, 0.0024853900000000 ] - [ -0.0002065300000000, 0.0002127300000000, 0.0002968700000000 ] - [ -0.0009193800000000, 0.0004719200000000, -0.0003828600000000 ] - [ 0.0001867500000000, -0.0007243500000000, 0.0004258600000000 ] - [ -0.0000798700000000, 0.0003646000000000, 0.0002861900000000 ] - [ 0.0002656700000000, -0.0000592000000000, 0.0001202800000000 ] - [ -0.0000278700000000, -0.0000418500000000, -0.0000941500000000 ] - [ -0.0000296500000000, 0.0000893200000000, -0.0000620800000000 ] - [ 0.0000408100000000, -0.0000135900000000, -0.0001038800000000 ] - [ 0.0000289600000000, 0.0000618200000000, 0.0002058800000000 ] - [ 0.0000294900000000, -0.0000399100000000, 0.0001881900000000 ] - [ -0.0000177000000000, -0.0000189900000000, 0.0002021200000000 ] - [ -0.0000040200000000, -0.0003147100000000, -0.0001007600000000 ] - [ -0.0002695600000000, 0.0001520200000000, -0.0001029700000000 ] - [ 0.0002614100000000, 0.0001714700000000, -0.0001013200000000 ] - [ 0.0000002600000000, 0.0003298300000000, 0.0002059800000000 ] - [ 0.0002820300000000, -0.0001576800000000, 0.0002019700000000 ] - [ -0.0002746400000000, -0.0001797000000000, 0.0002035500000000 ] - [ -0.0006112400000000, -0.0002905700000000, -0.0001984000000000 ] - [ 0.0000642600000000, 0.0006902100000000, -0.0001843600000000 ] - [ 0.0005723200000000, -0.0003924200000000, -0.0001978500000000 ] - [ 0.0006235200000000, 0.0002908100000000, 0.0003111100000000 ] - [ -0.0000670300000000, -0.0006847000000000, 0.0003006600000000 ] - [ -0.0005682100000000, 0.0004074200000000, 0.0002943400000000 ] - [ 0.0001991600000000, 0.0002831900000000, -0.0000855700000000 ] - [ 0.0001435900000000, -0.0003050400000000, -0.0000743900000000 ] - [ -0.0003441300000000, 0.0000260600000000, -0.0000821500000000 ] - [ -0.0001827000000000, -0.0002915200000000, 0.0002159400000000 ] - [ -0.0001607800000000, 0.0003029700000000, 0.0002158600000000 ] - [ 0.0003506200000000, -0.0000113100000000, 0.0002162000000000 ] - [ -0.0000371000000000, 0.0000691000000000, -0.0001198800000000 ] - [ 0.0000944700000000, -0.0000483500000000, -0.0000736200000000 ] - [ -0.0000496500000000, -0.0000710000000000, -0.0001029900000000 ] - [ -0.0004114900000000, -0.0002532700000000, 0.0000525800000000 ] - [ -0.0008750200000000, 0.0092556100000000, 0.0049433100000000 ] - [ 0.0010572100000000, 0.0003975000000000, -0.0017510200000000 ] - [ 0.0000187800000000, -0.0000274800000000, 0.0001359000000000 ] - [ -0.0003224700000000, 0.0001524800000000, 0.0002331300000000 ] - [ 0.0007229500000000, -0.0002871200000000, -0.0003155200000000 ] - [ 0.0000257700000000, 0.0007314600000000, 0.0001060200000000 ] - [ 0.0004522200000000, -0.0000944900000000, 0.0002108600000000 ] - [ -0.0005335000000000, -0.0001579900000000, 0.0003943100000000 ] - [ -0.0006573200000000, -0.0000266900000000, -0.0001484400000000 ] - [ 0.0003263900000000, 0.0005513100000000, -0.0001752100000000 ] - [ 0.0002818900000000, -0.0005563300000000, -0.0001900000000000 ] - [ 0.0029251500000000, -0.0026202700000000, -0.0011282800000000 ] - [ 0.0000811000000000, -0.0001243200000000, 0.0011047800000000 ] - [ 0.0000093500000000, 0.0004362600000000, -0.0006131000000000 ] - [ 0.0002128100000000, 0.0000952000000000, -0.0002560000000000 ] - [ -0.0000187600000000, -0.0004359500000000, 0.0000722300000000 ] - [ -0.0002622300000000, 0.0001843100000000, -0.0001780500000000 ] - [ -0.0004757400000000, -0.0005101900000000, 0.0001177900000000 ] - [ -0.0010842700000000, 0.0014558200000000, 0.0019327800000000 ] - [ 0.0000658700000000, -0.0001325800000000, 0.0006352400000000 ]- atom: 127 displacement: [ 0.0050000000088145, -0.0086602540327554, 0.0000000000000000 ] forces: - [ -0.0000442000000000, -0.0000111900000000, -0.0005510500000000 ] - [ -0.0003713800000000, -0.0000665600000000, 0.0006570500000000 ] - [ 0.0015140600000000, 0.0004631300000000, 0.0009566800000000 ] - [ 0.0000930700000000, -0.0000269700000000, 0.0000429300000000 ] - [ -0.0000009400000000, 0.0000012000000000, -0.0005534100000000 ] - [ -0.0000011200000000, 0.0000066700000000, 0.0004995000000000 ] - [ 0.0000030200000000, 0.0000031800000000, -0.0001435800000000 ] - [ -0.0000029100000000, -0.0000012100000000, 0.0000886300000000 ] - [ 0.0003663500000000, -0.0006553700000000, 0.0002045100000000 ] - [ -0.0000022600000000, -0.0000261700000000, 0.0005032100000000 ] - [ -0.0000422900000000, -0.0000410200000000, -0.0001720500000000 ] - [ 0.0005369400000000, 0.0003416700000000, -0.0004545100000000 ] - [ 0.0000068800000000, -0.0000344500000000, -0.0000102700000000 ] - [ -0.0012241800000000, 0.0014250700000000, 0.0006748300000000 ] - [ -0.0002310600000000, -0.0005107100000000, 0.0004328100000000 ] - [ -0.0008549400000000, 0.0003761900000000, 0.0006129300000000 ] - [ 0.0135092200000000, -0.0387136300000000, 0.0304779000000000 ] - [ -0.0000683600000000, 0.0002615700000000, -0.0005327400000000 ] - [ 0.0002712100000000, -0.0000501000000000, -0.0005154400000000 ] - [ -0.0001945000000000, -0.0001592900000000, -0.0004780000000000 ] - [ 0.0003731200000000, -0.0004361600000000, 0.0001180300000000 ] - [ 0.0000889100000000, 0.0003630600000000, 0.0000695400000000 ] - [ 0.0000590400000000, 0.0006456900000000, 0.0002300700000000 ] - [ 0.0004175500000000, 0.0004405800000000, 0.0006719700000000 ] - [ 0.0004910900000000, 0.0001782100000000, -0.0000830200000000 ] - [ -0.0005544000000000, -0.0003556300000000, 0.0000282700000000 ] - [ 0.0000692100000000, 0.0001851600000000, -0.0002419900000000 ] - [ 0.0001487100000000, -0.0001521500000000, -0.0002421300000000 ] - [ -0.0001964400000000, -0.0000220100000000, -0.0002374100000000 ] - [ 0.0003016500000000, -0.0001620300000000, -0.0002284900000000 ] - [ -0.0006127500000000, -0.0013173400000000, 0.0005328000000000 ] - [ 0.0008872500000000, 0.0016985800000000, 0.0010392100000000 ] - [ -0.0000803500000000, -0.0001787200000000, 0.0003813700000000 ] - [ -0.0003252000000000, 0.0002995500000000, 0.0002025300000000 ] - [ 0.0004144400000000, -0.0009417300000000, 0.0005992700000000 ] - [ 0.0002017500000000, 0.0001417800000000, -0.0003430900000000 ] - [ -0.0000775100000000, 0.0000685500000000, -0.0004544200000000 ] - [ -0.0003070200000000, -0.0001544600000000, 0.0006526600000000 ] - [ -0.0048851700000000, -0.0106736800000000, -0.0080801200000000 ] - [ -0.0003072100000000, 0.0008283800000000, 0.0008418400000000 ] - [ 0.0000902700000000, -0.0003865500000000, -0.0002910500000000 ] - [ 0.0009086200000000, -0.0003412100000000, -0.0001084800000000 ] - [ -0.0006183200000000, -0.0005730300000000, -0.0001117500000000 ] - [ -0.0002286700000000, 0.0008479500000000, -0.0001085800000000 ] - [ -0.0000853900000000, -0.0003455200000000, 0.0000486500000000 ] - [ -0.0003741400000000, 0.0000706500000000, -0.0000829900000000 ] - [ 0.0004539200000000, -0.0000038000000000, 0.0001653600000000 ] - [ -0.0003114500000000, 0.0008296500000000, 0.0000958600000000 ] - [ 0.0000490000000000, 0.0002068500000000, 0.0002679700000000 ] - [ -0.0014182500000000, -0.0006249100000000, 0.0016613900000000 ] - [ 0.0000028500000000, 0.0000053800000000, -0.0000386700000000 ] - [ 0.0000061800000000, -0.0000005400000000, 0.0000997900000000 ] - [ 0.0000839200000000, -0.0002805900000000, 0.0006234200000000 ] - [ -0.0003027500000000, 0.0000568800000000, 0.0006144600000000 ] - [ 0.0002072300000000, 0.0002151400000000, 0.0006032400000000 ] - [ -0.0000651300000000, 0.0002788400000000, -0.0005406100000000 ] - [ 0.0002770800000000, -0.0000808900000000, -0.0005417200000000 ] - [ -0.0001997700000000, -0.0001894200000000, -0.0005249600000000 ] - [ 0.0003038000000000, -0.0003197900000000, 0.0001556500000000 ] - [ -0.0004294200000000, -0.0000997200000000, 0.0001588800000000 ] - [ 0.0001253000000000, 0.0004219900000000, 0.0001552500000000 ] - [ -0.0002878900000000, 0.0003021700000000, -0.0000910000000000 ] - [ 0.0004009300000000, 0.0000930700000000, -0.0000884100000000 ] - [ -0.0001195300000000, -0.0003960000000000, -0.0000897200000000 ] - [ 0.0000608300000000, 0.0001880200000000, -0.0002494700000000 ] - [ 0.0001143400000000, -0.0001554500000000, -0.0002483400000000 ] - [ -0.0001948000000000, -0.0000422100000000, -0.0002651300000000 ] - [ -0.0000883900000000, -0.0002007900000000, 0.0002820300000000 ] - [ -0.0001191000000000, 0.0001454200000000, 0.0003465600000000 ] - [ 0.0002050900000000, 0.0000445200000000, 0.0003105700000000 ] - [ -0.0000541800000000, -0.0001897100000000, 0.0003100000000000 ] - [ -0.0001401400000000, 0.0001396000000000, 0.0003115700000000 ] - [ 0.0001895700000000, 0.0000536100000000, 0.0003090600000000 ] - [ 0.0000448600000000, 0.0001878200000000, -0.0002222400000000 ] - [ 0.0001405500000000, -0.0001287300000000, -0.0002274100000000 ] - [ -0.0001802400000000, -0.0000568100000000, -0.0002265900000000 ] - [ -0.0008688900000000, 0.0002365900000000, 0.0001429600000000 ] - [ 0.0006447200000000, 0.0006436000000000, 0.0001611100000000 ] - [ 0.0002342200000000, -0.0008666800000000, 0.0001447000000000 ] - [ 0.0008608900000000, -0.0002314300000000, -0.0000599700000000 ] - [ -0.0006353700000000, -0.0006262900000000, -0.0000616300000000 ] - [ -0.0002216900000000, 0.0008551300000000, -0.0000523500000000 ] - [ -0.0000530300000000, -0.0003906700000000, 0.0000449800000000 ] - [ -0.0003147500000000, 0.0002399600000000, 0.0000385800000000 ] - [ 0.0003653100000000, 0.0001530800000000, 0.0000454800000000 ] - [ 0.0000172600000000, 0.0003989400000000, 0.0000400900000000 ] - [ 0.0003336000000000, -0.0002133700000000, 0.0000325800000000 ] - [ -0.0003517300000000, -0.0001807600000000, 0.0000294500000000 ] - [ 0.0008530000000000, 0.0002211500000000, -0.0003270900000000 ] - [ -0.0000329700000000, -0.0000221300000000, 0.0000834700000000 ] - [ 0.0001074700000000, -0.0003065500000000, 0.0006499800000000 ] - [ -0.0002805800000000, 0.0000869900000000, 0.0006103700000000 ] - [ 0.0001923600000000, 0.0002147100000000, 0.0006054100000000 ] - [ -0.0014123100000000, 0.0016420300000000, 0.0002267600000000 ] - [ -0.0000863100000000, -0.0019962100000000, -0.0014433600000000 ] - [ -0.0004312800000000, -0.0003046500000000, -0.0007148600000000 ] - [ 0.0002387300000000, -0.0003204700000000, 0.0001912000000000 ] - [ -0.0004129600000000, -0.0002060600000000, 0.0000535400000000 ] - [ 0.0000541400000000, 0.0005852700000000, 0.0001825100000000 ] - [ -0.0002804500000000, 0.0003444800000000, -0.0002168800000000 ] - [ 0.0003958200000000, 0.0001770400000000, -0.0000142400000000 ] - [ -0.0001496200000000, -0.0003551200000000, -0.0000037500000000 ] - [ -0.0004696200000000, 0.0016495800000000, -0.0002450500000000 ] - [ 0.0305296900000000, -0.0061669600000000, 0.0109122700000000 ] - [ -0.0006075200000000, 0.0004417800000000, -0.0005139700000000 ] - [ -0.0000696600000000, -0.0002090000000000, 0.0003123200000000 ] - [ -0.0001479100000000, 0.0001738900000000, 0.0003217100000000 ] - [ 0.0002022100000000, 0.0000322400000000, 0.0003182800000000 ] - [ 0.0001313000000000, -0.0003150000000000, 0.0009201400000000 ] - [ -0.0001073500000000, 0.0002470400000000, 0.0003347300000000 ] - [ 0.0001083700000000, -0.0003189500000000, 0.0002360400000000 ] - [ -0.0000085200000000, 0.0003085100000000, -0.0000703300000000 ] - [ 0.0002263000000000, -0.0000657600000000, -0.0003170300000000 ] - [ -0.0003661400000000, -0.0000144700000000, -0.0004508100000000 ] - [ -0.0008414200000000, 0.0002180400000000, 0.0001211100000000 ] - [ 0.0006072100000000, 0.0005937000000000, 0.0002116600000000 ] - [ 0.0002112500000000, -0.0008291500000000, 0.0001187900000000 ] - [ 0.0008887700000000, -0.0003483000000000, -0.0003006100000000 ] - [ -0.0005441500000000, 0.0003849700000000, 0.0007187000000000 ] - [ -0.0003128500000000, 0.0010242300000000, -0.0000461400000000 ] - [ -0.0000718800000000, -0.0000189500000000, 0.0003365900000000 ] - [ -0.0000241300000000, -0.0000817300000000, 0.0003625400000000 ] - [ 0.0004842000000000, -0.0002140300000000, 0.0001535100000000 ] - [ 0.0000748500000000, 0.0003041800000000, -0.0000506900000000 ] - [ 0.0003015600000000, -0.0001910100000000, -0.0000171100000000 ] - [ -0.0003804300000000, -0.0001901300000000, 0.0000345100000000 ] - [ -0.0452768100000000, 0.0648210600000000, -0.0272821500000000 ] - [ 0.0006834100000000, -0.0002000100000000, 0.0002374600000000 ] - [ 0.0015576100000000, -0.0016806800000000, 0.0002379300000000 ] - [ 0.0000385400000000, -0.0000283500000000, 0.0000826100000000 ] - [ -0.0000712800000000, 0.0000143300000000, 0.0001168000000000 ] - [ 0.0000704500000000, 0.0000494100000000, 0.0001052400000000 ] - [ 0.0002276900000000, -0.0006581800000000, -0.0002106800000000 ] - [ -0.0004178900000000, 0.0008896100000000, 0.0002435700000000 ] - [ -0.0000937400000000, 0.0006606000000000, -0.0008414500000000 ] - [ 0.0003710300000000, -0.0004460800000000, 0.0002230700000000 ] - [ 0.0004001800000000, -0.0008888800000000, -0.0003764300000000 ] - [ -0.0000991500000000, -0.0004326100000000, -0.0000548300000000 ] - [ 0.0032429300000000, 0.0002637300000000, -0.0059130100000000 ] - [ 0.0010409500000000, -0.0007085000000000, 0.0002937500000000 ] - [ 0.0018204300000000, -0.0060138700000000, -0.0016555900000000 ] - [ 0.0005322500000000, 0.0000568900000000, 0.0001198100000000 ] - [ -0.0003097400000000, -0.0005256000000000, 0.0001535600000000 ] - [ -0.0003072500000000, 0.0006642000000000, 0.0002097600000000 ] - [ 0.0014840300000000, 0.0040574700000000, -0.0028590900000000 ] - [ 0.0002813200000000, -0.0007174600000000, -0.0006695400000000 ] - [ 0.0004472900000000, -0.0002933100000000, 0.0000119200000000 ] - [ -0.0006055300000000, 0.0002977300000000, -0.0000442700000000 ] - [ -0.0000770900000000, 0.0001910300000000, 0.0000971000000000 ] - [ 0.0002975300000000, -0.0000874000000000, 0.0002632500000000 ] - [ -0.0000137000000000, -0.0000346600000000, -0.0001922800000000 ] - [ -0.0000244700000000, -0.0000162200000000, -0.0002195800000000 ] - [ 0.0000483200000000, 0.0000121200000000, -0.0001813100000000 ] - [ 0.0000112900000000, 0.0000152000000000, 0.0000800500000000 ] - [ 0.0000226600000000, -0.0000320100000000, 0.0000926600000000 ] - [ -0.0000725700000000, 0.0000217000000000, 0.0000819100000000 ] - [ 0.0000062500000000, -0.0003263800000000, -0.0002042400000000 ] - [ -0.0002846900000000, 0.0001535600000000, -0.0002014900000000 ] - [ 0.0002796100000000, 0.0001803100000000, -0.0002049100000000 ] - [ -0.0000037400000000, 0.0003119500000000, 0.0000983700000000 ] - [ 0.0002704300000000, -0.0001460500000000, 0.0001015800000000 ] - [ -0.0002677900000000, -0.0001708900000000, 0.0001020000000000 ] - [ -0.0006453200000000, -0.0002942300000000, -0.0002962900000000 ] - [ 0.0000592700000000, 0.0006765700000000, -0.0003123300000000 ] - [ 0.0005592300000000, -0.0004017000000000, -0.0002956700000000 ] - [ 0.0006317000000000, 0.0002951500000000, 0.0001826400000000 ] - [ -0.0000575000000000, -0.0006812700000000, 0.0001953700000000 ] - [ -0.0005648300000000, 0.0003873700000000, 0.0001982700000000 ] - [ 0.0001806600000000, 0.0002945400000000, -0.0002099000000000 ] - [ 0.0001633800000000, -0.0003121400000000, -0.0002215800000000 ] - [ -0.0003471100000000, 0.0000141800000000, -0.0002143900000000 ] - [ -0.0001986000000000, -0.0002852200000000, 0.0000783900000000 ] - [ -0.0001470700000000, 0.0003151100000000, 0.0000790400000000 ] - [ 0.0003394300000000, -0.0000282900000000, 0.0000789900000000 ] - [ -0.0000072500000000, 0.0000855900000000, -0.0001803200000000 ] - [ 0.0000692700000000, 0.0000020800000000, -0.0002213700000000 ] - [ -0.0000654300000000, -0.0000674300000000, -0.0001949400000000 ] - [ 0.0008675300000000, 0.0001964100000000, 0.0001156100000000 ] - [ 0.0006173000000000, -0.0096990800000000, -0.0047640300000000 ] - [ -0.0012362100000000, -0.0000006600000000, 0.0019217300000000 ] - [ -0.0001562100000000, -0.0007272100000000, -0.0004195000000000 ] - [ -0.0002551100000000, 0.0003202900000000, -0.0005167900000000 ] - [ -0.0000175300000000, 0.0005412500000000, 0.0000281600000000 ] - [ -0.0000979500000000, 0.0002428000000000, 0.0003092600000000 ] - [ 0.0004120200000000, -0.0003463900000000, 0.0002054000000000 ] - [ -0.0002899500000000, -0.0003656600000000, 0.0000223500000000 ] - [ -0.0005864900000000, 0.0000394300000000, -0.0002764800000000 ] - [ 0.0003015600000000, 0.0005164300000000, -0.0002510700000000 ] - [ 0.0003301000000000, -0.0005305100000000, -0.0002342100000000 ] - [ -0.0016695700000000, 0.0029516400000000, 0.0016741000000000 ] - [ -0.0004300700000000, -0.0011522700000000, -0.0005612000000000 ] - [ -0.0009355100000000, 0.0005042200000000, 0.0011568300000000 ] - [ 0.0002040100000000, 0.0003346700000000, -0.0001255600000000 ] - [ 0.0001749400000000, -0.0001176300000000, -0.0004574400000000 ] - [ -0.0003035400000000, -0.0000381600000000, -0.0002060800000000 ] - [ 0.0000754700000000, 0.0001880900000000, 0.0002518700000000 ] - [ 0.0010137800000000, -0.0009620700000000, -0.0015717500000000 ] - [ 0.0004070400000000, -0.0000524900000000, -0.0002583300000000 ]- atom: 127 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000057300000000, -0.0000001700000000, -0.0003671900000000 ] - [ -0.0001726100000000, -0.0000373900000000, 0.0000654700000000 ] - [ 0.0010937600000000, 0.0000371400000000, 0.0000641700000000 ] - [ -0.0001035100000000, 0.0000052200000000, 0.0002733300000000 ] - [ -0.0000035200000000, 0.0000010700000000, -0.0003733900000000 ] - [ 0.0000028900000000, -0.0000018900000000, 0.0006724400000000 ] - [ -0.0000047300000000, 0.0000013400000000, 0.0000312900000000 ] - [ -0.0000005600000000, -0.0000009500000000, 0.0002535700000000 ] - [ 0.0002274000000000, -0.0002126100000000, -0.0005822500000000 ] - [ 0.0000186100000000, -0.0000224800000000, 0.0006720500000000 ] - [ 0.0000303200000000, 0.0000127800000000, 0.0000341700000000 ] - [ -0.0007264400000000, 0.0009274600000000, 0.0004669500000000 ] - [ -0.0001015300000000, 0.0000212400000000, -0.0002316600000000 ] - [ 0.0015996600000000, 0.0003701700000000, 0.0012902000000000 ] - [ 0.0009372900000000, -0.0004135300000000, 0.0024035800000000 ] - [ -0.0008355300000000, -0.0000823400000000, 0.0013033900000000 ] - [ 0.0107223500000000, -0.0277045400000000, 0.0273679300000000 ] - [ -0.0001052100000000, 0.0003148800000000, -0.0007652300000000 ] - [ 0.0003276600000000, -0.0000475800000000, -0.0008055100000000 ] - [ -0.0002163900000000, -0.0003248200000000, -0.0008412300000000 ] - [ 0.0003898600000000, -0.0001608500000000, -0.0001047800000000 ] - [ -0.0006689000000000, -0.0000690700000000, -0.0000731300000000 ] - [ 0.0000859300000000, 0.0001866300000000, -0.0000272400000000 ] - [ -0.0008619600000000, 0.0004447600000000, -0.0007648700000000 ] - [ 0.0006547500000000, 0.0002134700000000, -0.0003808800000000 ] - [ -0.0002580000000000, -0.0004066200000000, 0.0003125600000000 ] - [ 0.0000992900000000, 0.0002355700000000, -0.0004856600000000 ] - [ 0.0001249200000000, -0.0001827900000000, -0.0004766700000000 ] - [ -0.0002356600000000, -0.0000429100000000, -0.0004714100000000 ] - [ -0.0001878900000000, 0.0010129900000000, 0.0020835200000000 ] - [ -0.0005784500000000, -0.0004446100000000, 0.0009286800000000 ] - [ 0.0010560700000000, 0.0012334400000000, 0.0019354100000000 ] - [ -0.0001716700000000, -0.0000486800000000, 0.0004355000000000 ] - [ -0.0000266400000000, 0.0000947500000000, 0.0000788300000000 ] - [ 0.0004055300000000, 0.0005100000000000, -0.0003495900000000 ] - [ 0.0003697400000000, 0.0001118800000000, -0.0002597500000000 ] - [ 0.0001959600000000, -0.0000692900000000, -0.0002567800000000 ] - [ -0.0001872900000000, -0.0003197000000000, -0.0013036300000000 ] - [ 0.0077227600000000, 0.0145718800000000, 0.0194062600000000 ] - [ 0.0003690700000000, 0.0008841200000000, 0.0014160000000000 ] - [ 0.0003037500000000, -0.0006836000000000, 0.0003286500000000 ] - [ 0.0008311100000000, -0.0002146900000000, -0.0004616200000000 ] - [ -0.0006443800000000, -0.0006151900000000, -0.0002633000000000 ] - [ -0.0002228200000000, 0.0008936000000000, -0.0002823500000000 ] - [ 0.0000190500000000, -0.0004401900000000, -0.0000942400000000 ] - [ -0.0003658300000000, 0.0002545600000000, -0.0001989500000000 ] - [ 0.0001671100000000, 0.0002768500000000, -0.0002576800000000 ] - [ 0.0001694100000000, 0.0005727200000000, 0.0002913300000000 ] - [ 0.0010480200000000, -0.0012924300000000, -0.0007779300000000 ] - [ 0.0003992900000000, 0.0002493000000000, 0.0003269800000000 ] - [ -0.0000044800000000, 0.0000069300000000, -0.0002417500000000 ] - [ 0.0000043900000000, 0.0000016200000000, -0.0000936000000000 ] - [ 0.0000165800000000, -0.0002467000000000, 0.0003682500000000 ] - [ -0.0001907700000000, 0.0001028500000000, 0.0003507100000000 ] - [ 0.0001985600000000, 0.0001476400000000, 0.0003852000000000 ] - [ -0.0001337700000000, 0.0003428700000000, -0.0008050700000000 ] - [ 0.0003467500000000, -0.0000485000000000, -0.0007963700000000 ] - [ -0.0002152000000000, -0.0002916600000000, -0.0007939200000000 ] - [ 0.0002455600000000, -0.0002570800000000, -0.0000526100000000 ] - [ -0.0003457400000000, -0.0000845500000000, -0.0000520300000000 ] - [ 0.0001003400000000, 0.0003392200000000, -0.0000568200000000 ] - [ -0.0003431900000000, 0.0003585700000000, -0.0003037000000000 ] - [ 0.0004812300000000, 0.0001172000000000, -0.0003053100000000 ] - [ -0.0001392100000000, -0.0004768600000000, -0.0003027800000000 ] - [ 0.0000975300000000, 0.0002136900000000, -0.0004754400000000 ] - [ 0.0001341200000000, -0.0001977900000000, -0.0004684800000000 ] - [ -0.0002136400000000, -0.0000342300000000, -0.0005047300000000 ] - [ -0.0000650700000000, -0.0001584200000000, 0.0001014700000000 ] - [ -0.0001366100000000, 0.0001298900000000, 0.0000699600000000 ] - [ 0.0001518900000000, 0.0000354500000000, 0.0001050100000000 ] - [ -0.0000249300000000, -0.0001766900000000, 0.0000459600000000 ] - [ -0.0001389300000000, 0.0001105300000000, 0.0000454400000000 ] - [ 0.0001608600000000, 0.0000701700000000, 0.0000480000000000 ] - [ 0.0000680900000000, 0.0002054300000000, -0.0004936300000000 ] - [ 0.0001419000000000, -0.0001618200000000, -0.0004898100000000 ] - [ -0.0002092300000000, -0.0000437300000000, -0.0004899500000000 ] - [ -0.0008414900000000, 0.0002368300000000, -0.0001215500000000 ] - [ 0.0006117700000000, 0.0005940900000000, -0.0001352200000000 ] - [ 0.0002244300000000, -0.0008386400000000, -0.0001186500000000 ] - [ 0.0008889200000000, -0.0002399500000000, -0.0003310800000000 ] - [ -0.0006524500000000, -0.0006401000000000, -0.0003314700000000 ] - [ -0.0002395100000000, 0.0008865400000000, -0.0003395200000000 ] - [ 0.0000551300000000, -0.0004025400000000, -0.0002038800000000 ] - [ -0.0003776700000000, 0.0001554300000000, -0.0002011000000000 ] - [ 0.0003253500000000, 0.0002507300000000, -0.0001959100000000 ] - [ 0.0001206000000000, 0.0003773300000000, -0.0002092800000000 ] - [ 0.0002675300000000, -0.0002944100000000, -0.0002123900000000 ] - [ -0.0003943800000000, -0.0000889700000000, -0.0002083400000000 ] - [ -0.0006260200000000, -0.0003567200000000, 0.0005320800000000 ] - [ 0.0000400000000000, -0.0000420000000000, -0.0001099200000000 ] - [ -0.0000011300000000, -0.0002268800000000, 0.0003472100000000 ] - [ -0.0001860200000000, 0.0001044100000000, 0.0003665200000000 ] - [ 0.0001743700000000, 0.0001492300000000, 0.0003775000000000 ] - [ -0.0001404300000000, 0.0002721000000000, 0.0012443500000000 ] - [ -0.0261631000000000, -0.0138300300000000, 0.0368831000000000 ] - [ -0.0000203500000000, -0.0002563300000000, -0.0000173900000000 ] - [ 0.0000431000000000, -0.0002383100000000, 0.0000392500000000 ] - [ -0.0002264200000000, -0.0003615700000000, 0.0003565400000000 ] - [ 0.0001596200000000, 0.0002760900000000, -0.0000526800000000 ] - [ -0.0005754300000000, 0.0003222900000000, -0.0003120400000000 ] - [ 0.0005147200000000, 0.0000962500000000, -0.0001830700000000 ] - [ -0.0002379300000000, -0.0002974500000000, -0.0003736600000000 ] - [ 0.0002461900000000, -0.0003387600000000, 0.0004025200000000 ] - [ 0.0182767600000000, -0.0030398900000000, 0.0111556300000000 ] - [ -0.0002525700000000, 0.0004107800000000, 0.0003898800000000 ] - [ -0.0000556500000000, -0.0001773800000000, 0.0000869900000000 ] - [ -0.0001194500000000, 0.0001301300000000, 0.0000943400000000 ] - [ 0.0001677900000000, 0.0000440900000000, 0.0000817000000000 ] - [ -0.0000205500000000, -0.0003688800000000, -0.0000918400000000 ] - [ 0.0000290300000000, 0.0002371600000000, 0.0000275000000000 ] - [ 0.0001338100000000, 0.0002981800000000, 0.0001544300000000 ] - [ 0.0002316500000000, 0.0000868700000000, -0.0005315800000000 ] - [ 0.0002153000000000, 0.0000641600000000, -0.0006038000000000 ] - [ -0.0002664100000000, -0.0000978900000000, -0.0003045100000000 ] - [ -0.0008276900000000, 0.0002270700000000, -0.0000941600000000 ] - [ 0.0006350700000000, 0.0005684100000000, -0.0001073600000000 ] - [ 0.0002164900000000, -0.0007811700000000, -0.0001951400000000 ] - [ 0.0006606400000000, -0.0001772200000000, 0.0003695600000000 ] - [ -0.0000948700000000, 0.0000126700000000, 0.0003521300000000 ] - [ 0.0014723200000000, 0.0031390300000000, 0.0001730600000000 ] - [ 0.0001651700000000, -0.0006040000000000, -0.0003754000000000 ] - [ -0.0005991600000000, -0.0000131200000000, 0.0000216900000000 ] - [ 0.0001347900000000, 0.0000933100000000, 0.0001344200000000 ] - [ 0.0002227700000000, 0.0003231300000000, -0.0003346200000000 ] - [ 0.0002912500000000, -0.0002623500000000, -0.0001726400000000 ] - [ -0.0003080000000000, -0.0001403800000000, -0.0001127200000000 ] - [ -0.0026076000000000, 0.0293487800000000, -0.0894181300000000 ] - [ -0.0001770700000000, 0.0001184200000000, -0.0007066100000000 ] - [ 0.0005341200000000, -0.0000956800000000, -0.0007043900000000 ] - [ 0.0000128700000000, -0.0000063400000000, 0.0004871200000000 ] - [ -0.0000409700000000, 0.0000315800000000, 0.0004075100000000 ] - [ 0.0000493400000000, 0.0000414800000000, 0.0004100400000000 ] - [ 0.0001291200000000, -0.0002087400000000, 0.0000897400000000 ] - [ -0.0006941100000000, -0.0002890000000000, -0.0000323600000000 ] - [ 0.0007245000000000, -0.0004015300000000, 0.0002074800000000 ] - [ 0.0001308800000000, 0.0000975100000000, -0.0001859200000000 ] - [ 0.0005219800000000, 0.0005019400000000, 0.0009790000000000 ] - [ -0.0010705200000000, -0.0002195200000000, 0.0010475300000000 ] - [ -0.0036985200000000, 0.0001958800000000, -0.0055095900000000 ] - [ -0.0005024600000000, 0.0004192000000000, -0.0015831900000000 ] - [ -0.0038501300000000, 0.0045210900000000, -0.0027392800000000 ] - [ 0.0007212700000000, -0.0000508300000000, 0.0005210300000000 ] - [ -0.0002531300000000, -0.0005720100000000, 0.0004809000000000 ] - [ -0.0002308600000000, 0.0004927800000000, 0.0005174600000000 ] - [ -0.0018188800000000, -0.0014000100000000, 0.0063632300000000 ] - [ -0.0002463400000000, -0.0007561200000000, -0.0011752600000000 ] - [ -0.0009031500000000, 0.0002386500000000, -0.0001133900000000 ] - [ 0.0000746000000000, -0.0002164900000000, 0.0009650400000000 ] - [ -0.0002093900000000, 0.0002713100000000, 0.0003275800000000 ] - [ 0.0003490300000000, -0.0001780400000000, 0.0004434500000000 ] - [ -0.0000455500000000, -0.0000163600000000, 0.0001327700000000 ] - [ 0.0000201900000000, 0.0000942600000000, 0.0001606100000000 ] - [ -0.0000385300000000, -0.0000402100000000, 0.0001386300000000 ] - [ -0.0000104300000000, 0.0000912000000000, 0.0004221900000000 ] - [ 0.0000847200000000, -0.0000727900000000, 0.0004330100000000 ] - [ -0.0000544000000000, -0.0000467800000000, 0.0004346900000000 ] - [ -0.0000057000000000, -0.0002826700000000, 0.0001238000000000 ] - [ -0.0002402000000000, 0.0001371100000000, 0.0001209700000000 ] - [ 0.0002420900000000, 0.0001520900000000, 0.0001203200000000 ] - [ -0.0000034300000000, 0.0003624200000000, 0.0004267000000000 ] - [ 0.0003108700000000, -0.0001687600000000, 0.0004285300000000 ] - [ -0.0003013100000000, -0.0001975100000000, 0.0004281000000000 ] - [ -0.0006085200000000, -0.0002969600000000, 0.0000377600000000 ] - [ 0.0000434000000000, 0.0006775900000000, 0.0000379400000000 ] - [ 0.0005757000000000, -0.0003847700000000, 0.0000539300000000 ] - [ 0.0006455700000000, 0.0002786100000000, 0.0005305900000000 ] - [ -0.0000719500000000, -0.0006884500000000, 0.0005521800000000 ] - [ -0.0005624800000000, 0.0004068400000000, 0.0005391100000000 ] - [ 0.0002281600000000, 0.0002630400000000, 0.0002078300000000 ] - [ 0.0001113900000000, -0.0003204700000000, 0.0002161500000000 ] - [ -0.0003483500000000, 0.0000596200000000, 0.0002113300000000 ] - [ -0.0001540900000000, -0.0003128400000000, 0.0005059100000000 ] - [ -0.0001907100000000, 0.0002840200000000, 0.0005086500000000 ] - [ 0.0003484300000000, 0.0000212900000000, 0.0005114500000000 ] - [ -0.0000402400000000, 0.0001248300000000, 0.0001260400000000 ] - [ 0.0001221400000000, 0.0000025600000000, 0.0001330800000000 ] - [ -0.0001242800000000, -0.0001235800000000, 0.0001524600000000 ] - [ 0.0007722400000000, 0.0002451800000000, -0.0006714000000000 ] - [ -0.0019735000000000, -0.0019063900000000, -0.0071475700000000 ] - [ -0.0026533000000000, -0.0039195200000000, -0.0071511600000000 ] - [ -0.0001935700000000, -0.0003414800000000, 0.0001807300000000 ] - [ 0.0002696100000000, -0.0000183500000000, 0.0003652100000000 ] - [ 0.0008778300000000, 0.0004282600000000, -0.0000917500000000 ] - [ -0.0001802400000000, 0.0003470800000000, 0.0007237800000000 ] - [ 0.0006297800000000, -0.0002073400000000, 0.0003139700000000 ] - [ -0.0006466300000000, -0.0000855400000000, 0.0003728300000000 ] - [ -0.0006531100000000, 0.0000579400000000, 0.0000490100000000 ] - [ 0.0002217400000000, 0.0005368800000000, 0.0001250900000000 ] - [ 0.0002961500000000, -0.0005336300000000, 0.0000723500000000 ] - [ 0.0021715400000000, 0.0006862000000000, -0.0003066100000000 ] - [ -0.0004342400000000, -0.0018014800000000, -0.0017073500000000 ] - [ -0.0000479300000000, 0.0000031600000000, -0.0006687500000000 ] - [ 0.0002983300000000, 0.0002051300000000, 0.0000412200000000 ] - [ -0.0000754300000000, -0.0002420900000000, 0.0001939200000000 ] - [ -0.0004531200000000, -0.0000523600000000, 0.0002944700000000 ] - [ 0.0000016200000000, 0.0000030800000000, -0.0001102700000000 ] - [ -0.0008788500000000, 0.0007985500000000, 0.0017988800000000 ] - [ -0.0002086600000000, -0.0009352400000000, 0.0015608800000000 ]- atom: 127 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000031400000000, -0.0000018700000000, -0.0006759800000000 ] - [ 0.0001735800000000, 0.0000385600000000, 0.0009808800000000 ] - [ -0.0010924700000000, -0.0000390700000000, -0.0002877900000000 ] - [ 0.0001016900000000, -0.0000051500000000, -0.0000507800000000 ] - [ 0.0000042600000000, -0.0000018200000000, -0.0006714000000000 ] - [ -0.0000037500000000, 0.0000027800000000, 0.0003737900000000 ] - [ 0.0000053800000000, 0.0000003300000000, -0.0002530400000000 ] - [ -0.0000002300000000, -0.0000007200000000, -0.0000302900000000 ] - [ -0.0002297600000000, 0.0002095700000000, -0.0004570200000000 ] - [ -0.0000213700000000, 0.0000242700000000, 0.0003726800000000 ] - [ -0.0000285300000000, -0.0000132000000000, -0.0002553400000000 ] - [ 0.0007258500000000, -0.0009245200000000, -0.0002413800000000 ] - [ 0.0001024300000000, -0.0000209900000000, 0.0001155600000000 ] - [ -0.0015979700000000, -0.0003716800000000, -0.0011372900000000 ] - [ -0.0007833500000000, -0.0001588000000000, -0.0012447900000000 ] - [ 0.0002636500000000, 0.0002344100000000, -0.0001437300000000 ] - [ -0.0100484200000000, 0.0274036700000000, -0.0259531200000000 ] - [ -0.0000463600000000, 0.0002276800000000, -0.0003939100000000 ] - [ 0.0002175200000000, -0.0000929500000000, -0.0003530500000000 ] - [ -0.0001775900000000, -0.0000774200000000, -0.0003151200000000 ] - [ 0.0002234100000000, -0.0004669800000000, 0.0003462700000000 ] - [ -0.0001818100000000, -0.0001485800000000, 0.0003191100000000 ] - [ 0.0001512700000000, 0.0006630000000000, 0.0002669500000000 ] - [ 0.0002704700000000, 0.0001722500000000, 0.0005116300000000 ] - [ 0.0001767600000000, -0.0000089600000000, 0.0001215500000000 ] - [ 0.0000220600000000, -0.0004176100000000, -0.0005671500000000 ] - [ 0.0000440300000000, 0.0001602000000000, -0.0000779900000000 ] - [ 0.0001457700000000, -0.0001366800000000, -0.0000867700000000 ] - [ -0.0001696700000000, -0.0000197700000000, -0.0000956200000000 ] - [ 0.0000824500000000, -0.0014043400000000, -0.0014972800000000 ] - [ 0.0002985900000000, 0.0007206800000000, -0.0003463600000000 ] - [ -0.0006814100000000, -0.0011355200000000, -0.0013523600000000 ] - [ 0.0000151900000000, -0.0003742400000000, 0.0001042800000000 ] - [ -0.0002581600000000, 0.0002497200000000, 0.0004639200000000 ] - [ 0.0000326600000000, -0.0004329500000000, 0.0008892100000000 ] - [ -0.0002576000000000, 0.0003217500000000, -0.0002737900000000 ] - [ 0.0001243400000000, -0.0002409400000000, -0.0002790000000000 ] - [ -0.0002402600000000, 0.0001956400000000, 0.0007745300000000 ] - [ -0.0092526600000000, -0.0134437500000000, -0.0186167500000000 ] - [ 0.0009099400000000, 0.0003582400000000, -0.0012033900000000 ] - [ 0.0001346400000000, -0.0010466500000000, -0.0001169700000000 ] - [ 0.0008442500000000, -0.0002689700000000, 0.0002368600000000 ] - [ -0.0006093100000000, -0.0005896100000000, 0.0000386400000000 ] - [ -0.0001978800000000, 0.0007928300000000, 0.0000574800000000 ] - [ -0.0000824600000000, -0.0002869300000000, 0.0001060700000000 ] - [ -0.0002345100000000, 0.0001643800000000, 0.0002125500000000 ] - [ 0.0005000200000000, 0.0000360400000000, 0.0002726100000000 ] - [ -0.0001197300000000, 0.0001752500000000, -0.0003141900000000 ] - [ -0.0004162600000000, 0.0008763000000000, 0.0007573800000000 ] - [ -0.0010779600000000, -0.0005948700000000, -0.0003525900000000 ] - [ 0.0000050700000000, -0.0000067500000000, 0.0000956300000000 ] - [ -0.0000050600000000, -0.0000017900000000, 0.0002422900000000 ] - [ 0.0001384400000000, -0.0003201200000000, 0.0007986500000000 ] - [ -0.0003770600000000, 0.0000468100000000, 0.0008169900000000 ] - [ 0.0002145600000000, 0.0002708900000000, 0.0007798200000000 ] - [ -0.0000219300000000, 0.0002245800000000, -0.0003599800000000 ] - [ 0.0002200700000000, -0.0001017600000000, -0.0003676100000000 ] - [ -0.0001977800000000, -0.0001275200000000, -0.0003681500000000 ] - [ 0.0003438500000000, -0.0003589600000000, 0.0003045300000000 ] - [ -0.0004803300000000, -0.0001152900000000, 0.0003046800000000 ] - [ 0.0001387100000000, 0.0004781900000000, 0.0003069400000000 ] - [ -0.0002463300000000, 0.0002573300000000, 0.0000545400000000 ] - [ 0.0003445100000000, 0.0000825900000000, 0.0000550700000000 ] - [ -0.0000999000000000, -0.0003411100000000, 0.0000549500000000 ] - [ 0.0000458300000000, 0.0001632900000000, -0.0000941400000000 ] - [ 0.0001211400000000, -0.0001125100000000, -0.0001019000000000 ] - [ -0.0001754300000000, -0.0000188200000000, -0.0000689100000000 ] - [ -0.0000779000000000, -0.0002195500000000, 0.0004708700000000 ] - [ -0.0001179900000000, 0.0001801500000000, 0.0005032700000000 ] - [ 0.0002373200000000, 0.0000177500000000, 0.0004713500000000 ] - [ -0.0000707200000000, -0.0002046700000000, 0.0004915100000000 ] - [ -0.0001435900000000, 0.0001597300000000, 0.0004939800000000 ] - [ 0.0002103800000000, 0.0000425600000000, 0.0004905900000000 ] - [ 0.0000271900000000, 0.0001760900000000, -0.0000409200000000 ] - [ 0.0001402500000000, -0.0001082600000000, -0.0000467200000000 ] - [ -0.0001618800000000, -0.0000684700000000, -0.0000459100000000 ] - [ -0.0008834800000000, 0.0002368200000000, 0.0003331500000000 ] - [ 0.0006568300000000, 0.0006576200000000, 0.0003473300000000 ] - [ 0.0002293200000000, -0.0008839900000000, 0.0003306600000000 ] - [ 0.0008358400000000, -0.0002331800000000, 0.0001226200000000 ] - [ -0.0006161300000000, -0.0006114900000000, 0.0001225800000000 ] - [ -0.0002142200000000, 0.0008359700000000, 0.0001305800000000 ] - [ -0.0001217900000000, -0.0003804700000000, 0.0002139100000000 ] - [ -0.0002686000000000, 0.0002929300000000, 0.0002114000000000 ] - [ 0.0003919500000000, 0.0000876800000000, 0.0002078700000000 ] - [ -0.0000543400000000, 0.0004058100000000, 0.0002023500000000 ] - [ 0.0003792000000000, -0.0001538100000000, 0.0002053600000000 ] - [ -0.0003228200000000, -0.0002496400000000, 0.0001990200000000 ] - [ 0.0006354900000000, 0.0003625300000000, -0.0006820900000000 ] - [ -0.0000412600000000, 0.0000410500000000, 0.0002282400000000 ] - [ 0.0001523100000000, -0.0003160600000000, 0.0008152200000000 ] - [ -0.0003583100000000, 0.0000373400000000, 0.0007948500000000 ] - [ 0.0002193100000000, 0.0002540200000000, 0.0007814500000000 ] - [ -0.0000205500000000, 0.0003034900000000, -0.0024045500000000 ] - [ 0.0277159700000000, 0.0142384600000000, -0.0388334700000000 ] - [ -0.0003965300000000, -0.0001639700000000, -0.0011384100000000 ] - [ 0.0005490300000000, -0.0003767900000000, 0.0002190700000000 ] - [ -0.0006058800000000, 0.0001599400000000, -0.0000956800000000 ] - [ 0.0000783200000000, 0.0005469500000000, 0.0003100800000000 ] - [ -0.0000374400000000, 0.0003069800000000, 0.0000728100000000 ] - [ 0.0003368800000000, 0.0001203300000000, -0.0000577800000000 ] - [ -0.0000007700000000, -0.0005533100000000, 0.0001356300000000 ] - [ -0.0001442200000000, 0.0007265400000000, -0.0009857300000000 ] - [ -0.0180492600000000, 0.0027689500000000, -0.0116200900000000 ] - [ -0.0001248800000000, -0.0005040000000000, -0.0009724400000000 ] - [ -0.0000876300000000, -0.0002189100000000, 0.0004795200000000 ] - [ -0.0001519700000000, 0.0001896300000000, 0.0004717800000000 ] - [ 0.0002374700000000, 0.0000184200000000, 0.0004880200000000 ] - [ -0.0000912300000000, -0.0000640800000000, 0.0006294800000000 ] - [ -0.0003465200000000, 0.0000744200000000, 0.0005092000000000 ] - [ 0.0002905300000000, -0.0001724500000000, 0.0003823700000000 ] - [ -0.0000753800000000, 0.0003361500000000, -0.0000051000000000 ] - [ 0.0000704800000000, -0.0004048900000000, 0.0000606500000000 ] - [ -0.0001716300000000, 0.0000206900000000, -0.0002357800000000 ] - [ -0.0008480400000000, 0.0002561600000000, 0.0003213700000000 ] - [ 0.0006187000000000, 0.0006360400000000, 0.0003354700000000 ] - [ 0.0002038000000000, -0.0009048700000000, 0.0004217900000000 ] - [ 0.0010645000000000, -0.0003134700000000, -0.0005797500000000 ] - [ -0.0011885500000000, -0.0012606300000000, -0.0005554700000000 ] - [ -0.0019131600000000, -0.0014045900000000, -0.0003813400000000 ] - [ -0.0002129200000000, -0.0001394700000000, 0.0004007600000000 ] - [ -0.0000308600000000, 0.0004301900000000, 0.0000051200000000 ] - [ 0.0005467600000000, 0.0002460200000000, -0.0001068700000000 ] - [ -0.0001613200000000, 0.0004034300000000, 0.0003266400000000 ] - [ 0.0003106000000000, -0.0001564400000000, 0.0001619000000000 ] - [ -0.0003594700000000, -0.0001735200000000, 0.0001012200000000 ] - [ 0.0007948100000000, -0.0298130800000000, 0.0887962400000000 ] - [ 0.0004518200000000, 0.0002369900000000, 0.0005376900000000 ] - [ -0.0003507800000000, -0.0003156300000000, 0.0005398700000000 ] - [ 0.0000347300000000, -0.0001448500000000, -0.0001834200000000 ] - [ -0.0001235000000000, 0.0000113900000000, -0.0001096500000000 ] - [ 0.0000609000000000, 0.0001001500000000, -0.0001078000000000 ] - [ -0.0000615000000000, -0.0007666900000000, -0.0005031300000000 ] - [ -0.0001680600000000, 0.0007320900000000, -0.0003845900000000 ] - [ 0.0001004800000000, 0.0009260500000000, -0.0006254600000000 ] - [ 0.0000059200000000, 0.0006595000000000, 0.0004718600000000 ] - [ 0.0000535900000000, -0.0009819700000000, -0.0006999500000000 ] - [ 0.0003562600000000, -0.0000292500000000, -0.0007527800000000 ] - [ 0.0024318400000000, -0.0005265200000000, 0.0049481300000000 ] - [ 0.0008492800000000, 0.0008520100000000, 0.0010372800000000 ] - [ 0.0047708500000000, -0.0054558200000000, 0.0021941300000000 ] - [ 0.0005204100000000, 0.0000413600000000, -0.0000934400000000 ] - [ -0.0003734300000000, -0.0004953000000000, -0.0000514300000000 ] - [ -0.0003830300000000, 0.0005925700000000, -0.0000906100000000 ] - [ 0.0022240800000000, 0.0017493300000000, -0.0066739500000000 ] - [ 0.0003209600000000, 0.0002535100000000, 0.0008021100000000 ] - [ 0.0004317700000000, -0.0000601500000000, -0.0002592500000000 ] - [ -0.0004915800000000, -0.0002091900000000, -0.0005815700000000 ] - [ 0.0000528500000000, 0.0002817900000000, 0.0000589200000000 ] - [ 0.0002132200000000, 0.0000316700000000, -0.0000565000000000 ] - [ 0.0000006800000000, -0.0000630600000000, -0.0004220900000000 ] - [ -0.0000742000000000, -0.0000175600000000, -0.0004447400000000 ] - [ 0.0001321800000000, 0.0000363300000000, -0.0004262700000000 ] - [ 0.0000549200000000, -0.0000121400000000, -0.0001315000000000 ] - [ -0.0000311100000000, -0.0000039400000000, -0.0001479800000000 ] - [ -0.0000396600000000, 0.0000510100000000, -0.0001464500000000 ] - [ 0.0000047100000000, -0.0003594000000000, -0.0004278300000000 ] - [ -0.0003122800000000, 0.0001715300000000, -0.0004252700000000 ] - [ 0.0003020200000000, 0.0001960100000000, -0.0004262600000000 ] - [ 0.0000044600000000, 0.0002796900000000, -0.0001207500000000 ] - [ 0.0002408000000000, -0.0001389800000000, -0.0001232600000000 ] - [ -0.0002432200000000, -0.0001506000000000, -0.0001210300000000 ] - [ -0.0006461300000000, -0.0002903200000000, -0.0005346500000000 ] - [ 0.0000784800000000, 0.0006886500000000, -0.0005367100000000 ] - [ 0.0005574800000000, -0.0004075900000000, -0.0005496100000000 ] - [ 0.0006088200000000, 0.0003088200000000, -0.0000328100000000 ] - [ -0.0000498600000000, -0.0006777900000000, -0.0000525800000000 ] - [ -0.0005707800000000, 0.0003855900000000, -0.0000431800000000 ] - [ 0.0001509500000000, 0.0003127000000000, -0.0005046900000000 ] - [ 0.0001957000000000, -0.0002952800000000, -0.0005136900000000 ] - [ -0.0003403000000000, -0.0000202200000000, -0.0005092700000000 ] - [ -0.0002251300000000, -0.0002627800000000, -0.0002081000000000 ] - [ -0.0001159300000000, 0.0003316600000000, -0.0002101500000000 ] - [ 0.0003402800000000, -0.0000607600000000, -0.0002128500000000 ] - [ -0.0000073100000000, 0.0000268600000000, -0.0004288500000000 ] - [ 0.0000418600000000, -0.0000446700000000, -0.0004310300000000 ] - [ 0.0000132300000000, -0.0000169000000000, -0.0004522800000000 ] - [ -0.0003097400000000, -0.0003022500000000, 0.0008448400000000 ] - [ 0.0017033900000000, 0.0015627800000000, 0.0073346000000000 ] - [ 0.0024694300000000, 0.0043275900000000, 0.0073309200000000 ] - [ 0.0000514900000000, -0.0004138900000000, -0.0004653400000000 ] - [ -0.0008437000000000, 0.0004951500000000, -0.0006447700000000 ] - [ -0.0001734900000000, -0.0001825200000000, -0.0001949100000000 ] - [ 0.0001202700000000, 0.0006299200000000, -0.0003099400000000 ] - [ 0.0002316600000000, -0.0002384800000000, 0.0001032200000000 ] - [ -0.0001778400000000, -0.0004357600000000, 0.0000459700000000 ] - [ -0.0005888000000000, -0.0000471900000000, -0.0004751900000000 ] - [ 0.0004061500000000, 0.0005312500000000, -0.0005528300000000 ] - [ 0.0003175900000000, -0.0005518700000000, -0.0004979600000000 ] - [ -0.0009215300000000, -0.0003413800000000, 0.0008614400000000 ] - [ 0.0000880100000000, 0.0005227700000000, 0.0022563400000000 ] - [ -0.0008846000000000, 0.0009346900000000, 0.0012120300000000 ] - [ 0.0001183200000000, 0.0002227500000000, -0.0004239200000000 ] - [ 0.0002325200000000, -0.0003104800000000, -0.0005809100000000 ] - [ -0.0001120400000000, 0.0001960400000000, -0.0006787300000000 ] - [ -0.0003999100000000, -0.0003241800000000, 0.0004830300000000 ] - [ 0.0008134900000000, -0.0003047200000000, -0.0014456500000000 ] - [ 0.0006736300000000, 0.0007420300000000, -0.0011751300000000 ]- atom: 133 displacement: [ 0.0100000000000000, 0.0000000000216584, 0.0000000000000000 ] forces: - [ 0.0009100800000000, -0.0005818700000000, 0.0004732000000000 ] - [ 0.0007959300000000, -0.0005696800000000, -0.0002465900000000 ] - [ -0.0000254900000000, -0.0010586900000000, 0.0009193900000000 ] - [ -0.0001406200000000, 0.0002668300000000, 0.0000754400000000 ] - [ -0.0000014600000000, -0.0000019700000000, -0.0005236400000000 ] - [ -0.0000952900000000, -0.0000257300000000, 0.0005419600000000 ] - [ 0.0000056800000000, 0.0000610700000000, -0.0001243100000000 ] - [ 0.0000022600000000, -0.0000018200000000, 0.0001080400000000 ] - [ 0.0000062500000000, 0.0000268600000000, -0.0005201900000000 ] - [ -0.0000001500000000, 0.0000051500000000, 0.0005181800000000 ] - [ -0.0000006000000000, -0.0000008500000000, -0.0001121000000000 ] - [ -0.0000220500000000, -0.0000278400000000, 0.0001169600000000 ] - [ 0.0006499300000000, 0.0006923400000000, 0.0001348500000000 ] - [ 0.0000204100000000, -0.0005485900000000, 0.0000260600000000 ] - [ 0.0003029100000000, -0.0003460500000000, 0.0006077700000000 ] - [ 0.0002090500000000, 0.0004509700000000, 0.0000702600000000 ] - [ -0.0000608600000000, 0.0004124700000000, 0.0005296100000000 ] - [ 0.0001272700000000, 0.0006645800000000, -0.0001715500000000 ] - [ 0.0000069000000000, -0.0002292300000000, -0.0003822500000000 ] - [ -0.0004209600000000, -0.0000642900000000, -0.0006975600000000 ] - [ -0.0018537200000000, -0.0005290200000000, -0.0003070600000000 ] - [ -0.0009853900000000, -0.0001735400000000, 0.0001855300000000 ] - [ 0.0043777700000000, -0.0077685900000000, 0.0065366100000000 ] - [ -0.0003612400000000, 0.0007153300000000, 0.0000356600000000 ] - [ 0.0156437200000000, 0.0101487200000000, -0.0251483500000000 ] - [ -0.0011080000000000, -0.0003376900000000, -0.0002941900000000 ] - [ -0.0000161100000000, 0.0003307600000000, -0.0001433100000000 ] - [ 0.0001172700000000, -0.0002128500000000, -0.0003711700000000 ] - [ 0.0000234400000000, 0.0001008100000000, -0.0002363600000000 ] - [ 0.0000313100000000, -0.0002907000000000, 0.0001743200000000 ] - [ -0.0000284900000000, 0.0001378400000000, 0.0002987700000000 ] - [ -0.0001079800000000, 0.0000146400000000, 0.0000774100000000 ] - [ 0.0002212700000000, -0.0003434600000000, 0.0003849800000000 ] - [ 0.0286452300000000, -0.0109627700000000, 0.0083399900000000 ] - [ -0.0004188200000000, 0.0003255900000000, 0.0002734800000000 ] - [ 0.0004068100000000, -0.0012316600000000, -0.0007222400000000 ] - [ -0.0017201900000000, -0.0025753100000000, 0.0000219000000000 ] - [ -0.0003096600000000, 0.0009584800000000, 0.0002151200000000 ] - [ -0.0010197800000000, -0.0000208900000000, 0.0001250100000000 ] - [ 0.0009165900000000, 0.0002281800000000, 0.0006494300000000 ] - [ -0.0000183500000000, -0.0022033900000000, -0.0012205000000000 ] - [ 0.0006933300000000, -0.0000972700000000, -0.0001119100000000 ] - [ -0.0002726600000000, -0.0011583000000000, -0.0005166000000000 ] - [ -0.0005455500000000, 0.0007694300000000, 0.0017912900000000 ] - [ 0.0062919000000000, 0.0067217800000000, 0.0089286900000000 ] - [ -0.0017433000000000, 0.0005160200000000, 0.0009235100000000 ] - [ 0.0003440600000000, 0.0000306800000000, 0.0000138300000000 ] - [ 0.0000064500000000, -0.0000177900000000, -0.0001798600000000 ] - [ 0.0008715700000000, -0.0016192100000000, -0.0003961000000000 ] - [ -0.0009325600000000, -0.0008438900000000, 0.0002794700000000 ] - [ -0.0000022800000000, -0.0000054200000000, -0.0000716000000000 ] - [ -0.0000442400000000, -0.0000218200000000, 0.0000742500000000 ] - [ 0.0002398800000000, -0.0005401500000000, 0.0009871100000000 ] - [ -0.0001408300000000, 0.0002559900000000, 0.0004747600000000 ] - [ 0.0001411800000000, 0.0000778000000000, 0.0005710500000000 ] - [ -0.0000757000000000, 0.0002815700000000, -0.0005823300000000 ] - [ 0.0002821000000000, -0.0000726200000000, -0.0005813500000000 ] - [ -0.0002069000000000, -0.0002070200000000, -0.0005783200000000 ] - [ 0.0002968200000000, -0.0003134000000000, 0.0001262700000000 ] - [ -0.0004031900000000, -0.0000942900000000, 0.0001265500000000 ] - [ 0.0001133400000000, 0.0004170000000000, 0.0001307100000000 ] - [ -0.0002957800000000, 0.0003094900000000, -0.0001242200000000 ] - [ 0.0004141200000000, 0.0000962900000000, -0.0001170600000000 ] - [ -0.0001151700000000, -0.0004257800000000, -0.0001589000000000 ] - [ 0.0000719700000000, 0.0001865700000000, -0.0002849300000000 ] - [ 0.0001283100000000, -0.0001536100000000, -0.0002842400000000 ] - [ -0.0001946300000000, -0.0000265600000000, -0.0002848400000000 ] - [ -0.0001533600000000, -0.0000882000000000, 0.0005085300000000 ] - [ -0.0002741700000000, 0.0003209900000000, 0.0003736400000000 ] - [ 0.0005772600000000, 0.0000050500000000, -0.0004879600000000 ] - [ -0.0000161600000000, -0.0001850400000000, 0.0002816100000000 ] - [ -0.0001498200000000, 0.0001432200000000, 0.0002629700000000 ] - [ 0.0001835900000000, 0.0000298800000000, 0.0002783400000000 ] - [ 0.0000537700000000, 0.0001941500000000, -0.0002755900000000 ] - [ 0.0001336800000000, -0.0001288900000000, -0.0002723200000000 ] - [ -0.0001930600000000, -0.0000523800000000, -0.0002438500000000 ] - [ -0.0009225900000000, 0.0001990700000000, 0.0001801000000000 ] - [ 0.0006952500000000, 0.0006025200000000, 0.0000947800000000 ] - [ 0.0002103800000000, -0.0008249600000000, 0.0001163100000000 ] - [ 0.0008628100000000, -0.0002400100000000, -0.0001007800000000 ] - [ -0.0006310500000000, -0.0006259400000000, -0.0000953100000000 ] - [ -0.0002287100000000, 0.0008612300000000, -0.0001051700000000 ] - [ -0.0000330500000000, -0.0003943000000000, 0.0000088200000000 ] - [ -0.0003297700000000, 0.0002129100000000, -0.0000089700000000 ] - [ 0.0003613700000000, 0.0001617800000000, 0.0000156800000000 ] - [ 0.0000310000000000, 0.0004084700000000, -0.0000410000000000 ] - [ 0.0002843000000000, -0.0002103300000000, -0.0000197800000000 ] - [ -0.0003704000000000, -0.0001772200000000, 0.0000070900000000 ] - [ -0.0000597700000000, 0.0001753700000000, -0.0000556700000000 ] - [ 0.0000007900000000, -0.0000003800000000, 0.0000615600000000 ] - [ 0.0000736900000000, -0.0002704600000000, 0.0005836000000000 ] - [ -0.0002732600000000, 0.0000684200000000, 0.0005840500000000 ] - [ 0.0001975600000000, 0.0002019500000000, 0.0005822900000000 ] - [ -0.0000226200000000, 0.0004526900000000, -0.0007290400000000 ] - [ 0.0002693200000000, -0.0000605600000000, -0.0005770700000000 ] - [ -0.0000696700000000, -0.0001356000000000, -0.0004471300000000 ] - [ 0.0003012900000000, -0.0003069900000000, 0.0001267200000000 ] - [ -0.0004261300000000, -0.0001079200000000, 0.0001417100000000 ] - [ 0.0001236600000000, 0.0003973400000000, 0.0001155100000000 ] - [ -0.0003017100000000, 0.0002979400000000, -0.0000922400000000 ] - [ 0.0004233800000000, 0.0001067700000000, -0.0001260300000000 ] - [ -0.0001178500000000, -0.0004305300000000, -0.0001251000000000 ] - [ 0.0001710800000000, 0.0001408100000000, -0.0003981300000000 ] - [ -0.0000078700000000, -0.0002430800000000, -0.0002540000000000 ] - [ -0.0003233000000000, -0.0006122900000000, -0.0000860200000000 ] - [ -0.0000730800000000, -0.0001999800000000, 0.0002843200000000 ] - [ -0.0001361500000000, 0.0001582300000000, 0.0002869600000000 ] - [ 0.0002028800000000, 0.0000301000000000, 0.0002880800000000 ] - [ -0.0000700500000000, -0.0002164900000000, 0.0002703400000000 ] - [ -0.0001545100000000, 0.0001613000000000, 0.0002739000000000 ] - [ 0.0002206800000000, 0.0000755900000000, 0.0002503800000000 ] - [ 0.0000587000000000, 0.0002135300000000, -0.0002666700000000 ] - [ 0.0001395500000000, -0.0001783400000000, -0.0002737400000000 ] - [ -0.0002132400000000, -0.0000233600000000, -0.0002612900000000 ] - [ -0.0008401200000000, 0.0002451700000000, 0.0001187700000000 ] - [ 0.0006248800000000, 0.0006029900000000, 0.0001146100000000 ] - [ 0.0002111100000000, -0.0008440200000000, 0.0001162100000000 ] - [ 0.0009697300000000, -0.0001886200000000, -0.0001814800000000 ] - [ -0.0007362400000000, -0.0005942000000000, -0.0001101500000000 ] - [ -0.0002183600000000, 0.0008428500000000, -0.0001543000000000 ] - [ -0.0000148100000000, -0.0003836800000000, -0.0000102100000000 ] - [ -0.0002976700000000, 0.0002124100000000, 0.0000067800000000 ] - [ 0.0003342500000000, 0.0001391100000000, 0.0001582500000000 ] - [ 0.0000257300000000, 0.0003642000000000, 0.0000002700000000 ] - [ 0.0003038200000000, -0.0002103700000000, -0.0000036100000000 ] - [ -0.0003334900000000, -0.0001509700000000, -0.0000078800000000 ] - [ -0.0000565400000000, -0.0000895000000000, 0.0000091300000000 ] - [ -0.0004595900000000, 0.0005592300000000, -0.0008158000000000 ] - [ -0.0005005300000000, -0.0005454800000000, 0.0004865300000000 ] - [ 0.0001877800000000, -0.0003356700000000, 0.0002153300000000 ] - [ 0.0003092800000000, 0.0003096200000000, 0.0004212400000000 ] - [ 0.0008790200000000, 0.0001818700000000, -0.0006068200000000 ] - [ -0.0633710100000000, -0.0057504100000000, 0.0042575600000000 ] - [ 0.0016603800000000, -0.0007423700000000, -0.0004847900000000 ] - [ 0.0008594600000000, 0.0002755800000000, 0.0000271200000000 ] - [ 0.0017993200000000, 0.0004328100000000, 0.0005962600000000 ] - [ 0.0000197600000000, -0.0022804500000000, -0.0024048000000000 ] - [ 0.0052100000000000, 0.0053011100000000, 0.0008418300000000 ] - [ -0.0003180100000000, 0.0005077900000000, -0.0005639400000000 ] - [ 0.0004493700000000, 0.0018737800000000, -0.0002331600000000 ] - [ 0.0008939200000000, 0.0000272600000000, 0.0000754900000000 ] - [ 0.0001671200000000, -0.0006059800000000, -0.0000451300000000 ] - [ -0.0030511200000000, -0.0030059000000000, -0.0001246000000000 ] - [ -0.0002366800000000, -0.0002077200000000, -0.0002250200000000 ] - [ 0.0012687500000000, 0.0002624100000000, -0.0000446900000000 ] - [ -0.0007467400000000, 0.0006951700000000, -0.0002584600000000 ] - [ 0.0008117300000000, 0.0089269600000000, 0.0060144600000000 ] - [ 0.0001217500000000, -0.0005806500000000, 0.0000289800000000 ] - [ -0.0009958900000000, 0.0012102200000000, -0.0005776100000000 ] - [ 0.0057737300000000, 0.0042741100000000, -0.0074174300000000 ] - [ 0.0002874000000000, 0.0002411700000000, -0.0002670500000000 ] - [ -0.0005668900000000, 0.0004359900000000, -0.0001413000000000 ] - [ -0.0000006900000000, -0.0000790500000000, -0.0002012000000000 ] - [ 0.0000238400000000, 0.0000403800000000, 0.0001415600000000 ] - [ 0.0000229000000000, -0.0000355000000000, 0.0001367200000000 ] - [ -0.0000448500000000, 0.0000003600000000, 0.0001391700000000 ] - [ 0.0000087100000000, -0.0003259000000000, -0.0001517100000000 ] - [ -0.0002825800000000, 0.0001950700000000, -0.0001372600000000 ] - [ 0.0002504400000000, 0.0001666000000000, -0.0001751300000000 ] - [ 0.0000105000000000, 0.0002990600000000, 0.0001621600000000 ] - [ 0.0002987400000000, -0.0001654600000000, 0.0001520400000000 ] - [ -0.0002716300000000, -0.0001759200000000, 0.0001395000000000 ] - [ -0.0006407300000000, -0.0003378000000000, -0.0002108100000000 ] - [ 0.0002198400000000, 0.0006352100000000, -0.0002077700000000 ] - [ 0.0006395400000000, -0.0003813000000000, -0.0003121400000000 ] - [ 0.0006267900000000, 0.0002985000000000, 0.0002407200000000 ] - [ -0.0000589600000000, -0.0006814800000000, 0.0002432300000000 ] - [ -0.0005647500000000, 0.0004086100000000, 0.0002442300000000 ] - [ 0.0002102800000000, 0.0003382000000000, -0.0001971600000000 ] - [ 0.0000772000000000, -0.0003342600000000, -0.0001805700000000 ] - [ -0.0003273700000000, -0.0000129200000000, -0.0001107200000000 ] - [ -0.0001936600000000, -0.0002796900000000, 0.0001392100000000 ] - [ -0.0001757600000000, 0.0003099700000000, 0.0001345200000000 ] - [ 0.0003504000000000, -0.0000240100000000, 0.0001488400000000 ] - [ -0.0000260500000000, 0.0000704400000000, -0.0001573300000000 ] - [ 0.0000850400000000, -0.0000248400000000, -0.0001540100000000 ] - [ -0.0000551500000000, -0.0000690600000000, -0.0001540900000000 ] - [ -0.0003848100000000, -0.0003160600000000, -0.0000647900000000 ] - [ 0.0000133900000000, -0.0004547900000000, 0.0003527200000000 ] - [ -0.0000708400000000, 0.0003322900000000, -0.0000279200000000 ] - [ -0.0000604900000000, -0.0003681600000000, -0.0001428100000000 ] - [ -0.0002957900000000, 0.0002367600000000, -0.0001282700000000 ] - [ 0.0004147600000000, 0.0001211400000000, -0.0001857300000000 ] - [ -0.0000246800000000, 0.0004997100000000, 0.0001936300000000 ] - [ 0.0004091000000000, -0.0002001800000000, 0.0001987900000000 ] - [ -0.0004048800000000, -0.0002658900000000, 0.0002202800000000 ] - [ -0.0006214400000000, 0.0000022900000000, -0.0002156200000000 ] - [ 0.0003148300000000, 0.0005353700000000, -0.0002183400000000 ] - [ 0.0003052000000000, -0.0005437700000000, -0.0002172800000000 ] - [ 0.0008707400000000, 0.0000926400000000, -0.0000125400000000 ] - [ -0.0001957300000000, -0.0005596200000000, 0.0004875000000000 ] - [ -0.0005047300000000, 0.0003787600000000, 0.0003025600000000 ] - [ 0.0002143900000000, 0.0001967600000000, -0.0001994300000000 ] - [ 0.0000914600000000, -0.0002763800000000, -0.0001968600000000 ] - [ -0.0002867000000000, 0.0000681100000000, -0.0001971700000000 ] - [ -0.0002473300000000, -0.0002586500000000, 0.0001730500000000 ] - [ -0.0000168100000000, 0.0002442400000000, 0.0001925600000000 ] - [ 0.0002218700000000, -0.0001113000000000, 0.0001948600000000 ]- atom: 133 displacement: [ -0.0100000000000000, -0.0000000000216584, 0.0000000000000000 ] forces: - [ -0.0008993200000000, 0.0005750300000000, -0.0015090400000000 ] - [ -0.0007933700000000, 0.0005717000000000, 0.0012878400000000 ] - [ 0.0000255200000000, 0.0010597700000000, -0.0011485400000000 ] - [ 0.0001388900000000, -0.0002685300000000, 0.0001501900000000 ] - [ 0.0000027300000000, 0.0000008100000000, -0.0005250600000000 ] - [ 0.0000952200000000, 0.0000262400000000, 0.0005062000000000 ] - [ -0.0000045800000000, -0.0000603000000000, -0.0001022100000000 ] - [ -0.0000024900000000, -0.0000002100000000, 0.0001179600000000 ] - [ -0.0000062900000000, -0.0000288300000000, -0.0005263500000000 ] - [ -0.0000017200000000, -0.0000040100000000, 0.0005284100000000 ] - [ 0.0000032600000000, 0.0000004800000000, -0.0001136500000000 ] - [ 0.0000204400000000, 0.0000258300000000, 0.0001121200000000 ] - [ -0.0006478800000000, -0.0006970700000000, -0.0002524300000000 ] - [ -0.0000244000000000, 0.0005497900000000, 0.0001208500000000 ] - [ -0.0001459300000000, -0.0002260000000000, 0.0005452600000000 ] - [ -0.0007786400000000, -0.0002969100000000, 0.0010902000000000 ] - [ 0.0004776100000000, 0.0000064500000000, 0.0006207400000000 ] - [ -0.0002726500000000, -0.0001217400000000, -0.0009801700000000 ] - [ 0.0005400000000000, 0.0000885500000000, -0.0007741200000000 ] - [ 0.0000271000000000, -0.0003355800000000, -0.0004585000000000 ] - [ 0.0024586400000000, -0.0001099200000000, 0.0005522800000000 ] - [ 0.0001327400000000, -0.0000400600000000, 0.0000567000000000 ] - [ -0.0042481100000000, 0.0088050400000000, -0.0063884700000000 ] - [ -0.0002317600000000, -0.0000948700000000, -0.0002942800000000 ] - [ -0.0147221700000000, -0.0097217800000000, 0.0244011800000000 ] - [ 0.0008645900000000, -0.0004868600000000, 0.0000394500000000 ] - [ 0.0001591900000000, 0.0000659300000000, -0.0004200600000000 ] - [ 0.0001558000000000, -0.0001064300000000, -0.0001917800000000 ] - [ -0.0004303300000000, -0.0001667800000000, -0.0003303800000000 ] - [ -0.0001314600000000, -0.0000971100000000, 0.0004048700000000 ] - [ -0.0002554000000000, 0.0001403000000000, 0.0002809700000000 ] - [ 0.0004860800000000, 0.0000809300000000, 0.0005051100000000 ] - [ -0.0003806400000000, -0.0000763100000000, 0.0001513900000000 ] - [ -0.0304652900000000, 0.0116181400000000, -0.0082628500000000 ] - [ 0.0008563000000000, -0.0002504000000000, 0.0002681500000000 ] - [ -0.0002920500000000, 0.0016676200000000, 0.0001871900000000 ] - [ 0.0020456500000000, 0.0022653700000000, -0.0005569100000000 ] - [ -0.0001154800000000, -0.0010811900000000, -0.0007508500000000 ] - [ -0.0007077500000000, 0.0005099500000000, 0.0000822900000000 ] - [ 0.0003655600000000, 0.0010135100000000, -0.0004378300000000 ] - [ 0.0004595100000000, 0.0004723300000000, 0.0014295500000000 ] - [ 0.0009860600000000, -0.0003861300000000, -0.0001129100000000 ] - [ -0.0009837300000000, -0.0000479900000000, 0.0002955000000000 ] - [ 0.0001297500000000, 0.0009170500000000, -0.0020209100000000 ] - [ -0.0064629400000000, -0.0074899800000000, -0.0089756600000000 ] - [ 0.0011343800000000, -0.0000946900000000, -0.0009068700000000 ] - [ 0.0003264000000000, 0.0002814800000000, 0.0000005700000000 ] - [ 0.0000439000000000, 0.0007694100000000, 0.0001584900000000 ] - [ -0.0002350000000000, 0.0012021800000000, 0.0003735100000000 ] - [ 0.0002554200000000, 0.0005060900000000, -0.0003023700000000 ] - [ 0.0000034200000000, 0.0000052700000000, -0.0000735300000000 ] - [ 0.0000441900000000, 0.0000211400000000, 0.0000700400000000 ] - [ -0.0000851100000000, -0.0000259200000000, 0.0001707600000000 ] - [ -0.0004248800000000, -0.0001060300000000, 0.0006868100000000 ] - [ 0.0002727200000000, 0.0003403500000000, 0.0005871400000000 ] - [ -0.0000793200000000, 0.0002854700000000, -0.0005787500000000 ] - [ 0.0002850300000000, -0.0000785700000000, -0.0005794700000000 ] - [ -0.0002058500000000, -0.0002121400000000, -0.0005803400000000 ] - [ 0.0002923200000000, -0.0003053100000000, 0.0001234900000000 ] - [ -0.0004238200000000, -0.0001041300000000, 0.0001240000000000 ] - [ 0.0001287200000000, 0.0004001800000000, 0.0001172500000000 ] - [ -0.0002924300000000, 0.0003084000000000, -0.0001263100000000 ] - [ 0.0004139900000000, 0.0001013300000000, -0.0001346300000000 ] - [ -0.0001259500000000, -0.0003929400000000, -0.0000902900000000 ] - [ 0.0000702900000000, 0.0001920400000000, -0.0002839200000000 ] - [ 0.0001296900000000, -0.0001569500000000, -0.0002854300000000 ] - [ -0.0001949100000000, -0.0000290100000000, -0.0002884800000000 ] - [ 0.0000131400000000, -0.0002924100000000, 0.0000590800000000 ] - [ 0.0000176200000000, -0.0000121100000000, 0.0001948800000000 ] - [ -0.0001874900000000, 0.0000499100000000, 0.0010641500000000 ] - [ -0.0000803100000000, -0.0001955400000000, 0.0002530100000000 ] - [ -0.0001303500000000, 0.0001270500000000, 0.0002738100000000 ] - [ 0.0001876700000000, 0.0000806400000000, 0.0002575600000000 ] - [ 0.0000434100000000, 0.0001857700000000, -0.0002600900000000 ] - [ 0.0001472900000000, -0.0001423000000000, -0.0002652100000000 ] - [ -0.0001771200000000, -0.0000585400000000, -0.0002932500000000 ] - [ -0.0008051500000000, 0.0002732600000000, 0.0000271800000000 ] - [ 0.0005742000000000, 0.0006520100000000, 0.0001129200000000 ] - [ 0.0002470000000000, -0.0009008900000000, 0.0000919900000000 ] - [ 0.0008662000000000, -0.0002326700000000, -0.0001075200000000 ] - [ -0.0006378600000000, -0.0006297800000000, -0.0001132700000000 ] - [ -0.0002271000000000, 0.0008636800000000, -0.0001037200000000 ] - [ -0.0000342300000000, -0.0003907700000000, -0.0000010600000000 ] - [ -0.0003170000000000, 0.0002370600000000, 0.0000168600000000 ] - [ 0.0003585000000000, 0.0001760800000000, -0.0000060600000000 ] - [ 0.0000373100000000, 0.0003757500000000, 0.0000325800000000 ] - [ 0.0003637800000000, -0.0002405300000000, 0.0000112300000000 ] - [ -0.0003483800000000, -0.0001612300000000, -0.0000179100000000 ] - [ 0.0000637400000000, -0.0001780100000000, -0.0000920200000000 ] - [ -0.0000011800000000, -0.0000003100000000, 0.0000522800000000 ] - [ 0.0000777500000000, -0.0002727800000000, 0.0005714000000000 ] - [ -0.0002704800000000, 0.0000731300000000, 0.0005704100000000 ] - [ 0.0001968400000000, 0.0002002900000000, 0.0005692800000000 ] - [ -0.0001327000000000, 0.0001185500000000, -0.0004240800000000 ] - [ 0.0003028500000000, -0.0000920000000000, -0.0005777600000000 ] - [ -0.0003466700000000, -0.0002849100000000, -0.0007047100000000 ] - [ 0.0002930700000000, -0.0003120000000000, 0.0001297900000000 ] - [ -0.0004047400000000, -0.0000938000000000, 0.0001157600000000 ] - [ 0.0001173300000000, 0.0004249800000000, 0.0001388200000000 ] - [ -0.0003119900000000, 0.0003334300000000, -0.0001491000000000 ] - [ 0.0004304600000000, 0.0001070000000000, -0.0001161800000000 ] - [ -0.0001215300000000, -0.0004193200000000, -0.0001141000000000 ] - [ -0.0000705500000000, 0.0002473600000000, -0.0001821400000000 ] - [ 0.0002922100000000, -0.0000355600000000, -0.0003243900000000 ] - [ -0.0000532400000000, 0.0005163000000000, -0.0004970600000000 ] - [ -0.0000686300000000, -0.0001980600000000, 0.0002780400000000 ] - [ -0.0001367000000000, 0.0001608500000000, 0.0002750500000000 ] - [ 0.0002041000000000, 0.0000343500000000, 0.0002774300000000 ] - [ -0.0000418100000000, -0.0002167100000000, 0.0002620500000000 ] - [ -0.0001626100000000, 0.0001487400000000, 0.0002616300000000 ] - [ 0.0002036800000000, 0.0000474300000000, 0.0002853500000000 ] - [ 0.0001003800000000, 0.0002066300000000, -0.0002716400000000 ] - [ 0.0001446700000000, -0.0001663700000000, -0.0002671800000000 ] - [ -0.0002238300000000, -0.0000531300000000, -0.0002795800000000 ] - [ -0.0008386800000000, 0.0002363600000000, 0.0001044600000000 ] - [ 0.0006306800000000, 0.0006048500000000, 0.0001087000000000 ] - [ 0.0002125100000000, -0.0008454800000000, 0.0001078200000000 ] - [ 0.0007585800000000, -0.0003015000000000, -0.0000272700000000 ] - [ -0.0005455700000000, -0.0006535700000000, -0.0000985300000000 ] - [ -0.0002238900000000, 0.0008904000000000, -0.0000557100000000 ] - [ -0.0000344500000000, -0.0003682500000000, 0.0000318000000000 ] - [ -0.0003343000000000, 0.0002068600000000, 0.0000157900000000 ] - [ 0.0003478800000000, 0.0001996900000000, -0.0001356100000000 ] - [ 0.0000399600000000, 0.0003639800000000, -0.0000116100000000 ] - [ 0.0002980900000000, -0.0002108400000000, -0.0000081500000000 ] - [ -0.0003354100000000, -0.0001628400000000, -0.0000052200000000 ] - [ -0.0004020800000000, 0.0001497200000000, -0.0001775000000000 ] - [ 0.0007313500000000, -0.0002086100000000, 0.0006505900000000 ] - [ 0.0006782100000000, 0.0001351400000000, -0.0006559800000000 ] - [ -0.0001439000000000, 0.0001807700000000, 0.0000861700000000 ] - [ -0.0004727800000000, -0.0002648800000000, -0.0001308600000000 ] - [ -0.0007697700000000, -0.0000439400000000, 0.0009083400000000 ] - [ 0.0650443500000000, 0.0041788800000000, -0.0034841600000000 ] - [ -0.0025138600000000, 0.0011823800000000, 0.0000636000000000 ] - [ -0.0000377200000000, 0.0002454000000000, -0.0004453000000000 ] - [ -0.0016661400000000, 0.0003225900000000, -0.0003158500000000 ] - [ 0.0005558000000000, 0.0018091700000000, 0.0026895900000000 ] - [ -0.0059004800000000, -0.0055114400000000, -0.0005806900000000 ] - [ -0.0009505600000000, -0.0008428300000000, 0.0000221600000000 ] - [ -0.0000997300000000, -0.0006051400000000, -0.0003106900000000 ] - [ 0.0000329500000000, -0.0009664600000000, -0.0006146700000000 ] - [ 0.0010788400000000, 0.0005972000000000, 0.0004684900000000 ] - [ 0.0024359900000000, 0.0019425200000000, 0.0005472800000000 ] - [ -0.0003772100000000, 0.0012936700000000, 0.0006469600000000 ] - [ -0.0008692000000000, 0.0000576200000000, -0.0003273700000000 ] - [ 0.0008240700000000, -0.0012008100000000, -0.0001145000000000 ] - [ -0.0013059300000000, -0.0087754400000000, -0.0064125300000000 ] - [ -0.0005390500000000, 0.0001521000000000, 0.0003490500000000 ] - [ 0.0008481100000000, -0.0006755400000000, 0.0009645000000000 ] - [ -0.0052691100000000, -0.0044258000000000, 0.0078067800000000 ] - [ -0.0003288800000000, -0.0003199800000000, -0.0000190500000000 ] - [ 0.0005172600000000, -0.0003646300000000, -0.0001404500000000 ] - [ 0.0000892600000000, 0.0000794200000000, -0.0000855300000000 ] - [ 0.0000176400000000, 0.0000363100000000, 0.0001450500000000 ] - [ 0.0000305900000000, -0.0000373800000000, 0.0001449300000000 ] - [ -0.0000443100000000, 0.0000010800000000, 0.0001451700000000 ] - [ -0.0000058300000000, -0.0003155600000000, -0.0001533000000000 ] - [ -0.0002703400000000, 0.0001092900000000, -0.0001671100000000 ] - [ 0.0002924900000000, 0.0001837300000000, -0.0001311400000000 ] - [ -0.0000121900000000, 0.0003419100000000, 0.0001424700000000 ] - [ 0.0002547000000000, -0.0001391900000000, 0.0001518200000000 ] - [ -0.0002697600000000, -0.0001754700000000, 0.0001664800000000 ] - [ -0.0006145100000000, -0.0002475700000000, -0.0002839200000000 ] - [ -0.0000955100000000, 0.0007314300000000, -0.0002889500000000 ] - [ 0.0004927900000000, -0.0004136000000000, -0.0001809600000000 ] - [ 0.0006295400000000, 0.0002866900000000, 0.0002534000000000 ] - [ -0.0000643400000000, -0.0006855500000000, 0.0002528500000000 ] - [ -0.0005671800000000, 0.0003853500000000, 0.0002483900000000 ] - [ 0.0001708100000000, 0.0002380300000000, -0.0000980700000000 ] - [ 0.0002308500000000, -0.0002834500000000, -0.0001150400000000 ] - [ -0.0003627700000000, 0.0000527100000000, -0.0001861100000000 ] - [ -0.0001864200000000, -0.0002976800000000, 0.0001560500000000 ] - [ -0.0001307000000000, 0.0003069900000000, 0.0001613900000000 ] - [ 0.0003406700000000, -0.0000163600000000, 0.0001471900000000 ] - [ -0.0000171300000000, 0.0000834100000000, -0.0001430000000000 ] - [ 0.0000799000000000, -0.0000220800000000, -0.0001410600000000 ] - [ -0.0000586400000000, -0.0000708600000000, -0.0001434900000000 ] - [ 0.0008475700000000, 0.0002562800000000, 0.0002319400000000 ] - [ -0.0002846500000000, 0.0001050100000000, -0.0001880500000000 ] - [ -0.0001066900000000, 0.0000739300000000, 0.0001956400000000 ] - [ -0.0000756400000000, -0.0003857000000000, -0.0001404100000000 ] - [ -0.0002792900000000, 0.0002348600000000, -0.0001539200000000 ] - [ 0.0002929500000000, 0.0001298300000000, -0.0001004700000000 ] - [ -0.0000474300000000, 0.0004731600000000, 0.0002225700000000 ] - [ 0.0004561000000000, -0.0002425900000000, 0.0002173300000000 ] - [ -0.0004174000000000, -0.0002568400000000, 0.0001970400000000 ] - [ -0.0006212900000000, 0.0000091500000000, -0.0002089400000000 ] - [ 0.0003138200000000, 0.0005313500000000, -0.0002074800000000 ] - [ 0.0003079300000000, -0.0005440600000000, -0.0002064400000000 ] - [ 0.0003984100000000, 0.0002397300000000, 0.0005554200000000 ] - [ -0.0001532900000000, -0.0007118100000000, 0.0000538200000000 ] - [ -0.0004203100000000, 0.0005614200000000, 0.0002376000000000 ] - [ 0.0002036400000000, 0.0002315900000000, -0.0001823900000000 ] - [ 0.0000646000000000, -0.0002787200000000, -0.0001870600000000 ] - [ -0.0002771600000000, 0.0000783900000000, -0.0001874300000000 ] - [ -0.0001512100000000, -0.0000630500000000, 0.0001980100000000 ] - [ -0.0000590900000000, 0.0002598800000000, 0.0001801600000000 ] - [ 0.0002518400000000, -0.0000687200000000, 0.0001775600000000 ]- atom: 133 displacement: [ -0.0050000000088145, 0.0086602540327554, 0.0000000000000000 ] forces: - [ -0.0015577200000000, -0.0004799400000000, -0.0018067600000000 ] - [ -0.0002729300000000, -0.0004238100000000, 0.0009718600000000 ] - [ -0.0001960400000000, 0.0005547200000000, -0.0006867500000000 ] - [ 0.0004382200000000, 0.0001157700000000, 0.0000222600000000 ] - [ -0.0000007600000000, -0.0000033800000000, -0.0005034500000000 ] - [ -0.0000940100000000, 0.0000386300000000, 0.0005848200000000 ] - [ 0.0000525200000000, -0.0000010800000000, -0.0000922900000000 ] - [ -0.0000009500000000, -0.0000053400000000, 0.0001276300000000 ] - [ 0.0000251100000000, 0.0000378200000000, -0.0004731500000000 ] - [ 0.0000010300000000, 0.0000018900000000, 0.0005413000000000 ] - [ 0.0000020400000000, -0.0000018600000000, -0.0000941800000000 ] - [ 0.0000073500000000, 0.0000261800000000, 0.0001314200000000 ] - [ 0.0009337900000000, -0.0005824800000000, -0.0004337400000000 ] - [ -0.0004032800000000, -0.0001296000000000, 0.0000253200000000 ] - [ 0.0002211300000000, -0.0003079600000000, 0.0004830200000000 ] - [ -0.0004397500000000, 0.0003010000000000, 0.0007159900000000 ] - [ 0.0002982000000000, 0.0000093400000000, 0.0005401600000000 ] - [ -0.0008432700000000, -0.0002668300000000, -0.0012981200000000 ] - [ 0.0003623200000000, -0.0000478600000000, -0.0007109800000000 ] - [ 0.0002727600000000, -0.0004446400000000, -0.0003475300000000 ] - [ 0.0006127800000000, -0.0000562300000000, 0.0002375200000000 ] - [ 0.0001776400000000, -0.0002943900000000, 0.0000723000000000 ] - [ -0.0101620100000000, 0.0435941200000000, -0.0263481700000000 ] - [ 0.0010554900000000, -0.0011643000000000, -0.0010570700000000 ] - [ 0.0027863100000000, 0.0040550200000000, -0.0029246900000000 ] - [ 0.0002917300000000, -0.0003117200000000, -0.0000048200000000 ] - [ 0.0000614900000000, 0.0002040100000000, -0.0003735600000000 ] - [ 0.0003414600000000, -0.0002472500000000, -0.0002237800000000 ] - [ -0.0001758800000000, 0.0002329000000000, -0.0004283400000000 ] - [ 0.0000082200000000, -0.0001579400000000, 0.0002473700000000 ] - [ -0.0002272200000000, 0.0001867300000000, 0.0003438000000000 ] - [ 0.0003016400000000, 0.0000473900000000, 0.0004143400000000 ] - [ 0.0003904300000000, -0.0015636000000000, 0.0005077500000000 ] - [ -0.0222741700000000, 0.0102664000000000, -0.0060506100000000 ] - [ 0.0004628300000000, -0.0005955100000000, 0.0003107600000000 ] - [ -0.0003476600000000, 0.0000039600000000, 0.0003882300000000 ] - [ 0.0007817500000000, 0.0020570900000000, -0.0006175300000000 ] - [ -0.0003675700000000, -0.0022665600000000, -0.0009593100000000 ] - [ -0.0008445600000000, -0.0000531500000000, -0.0001090900000000 ] - [ 0.0002849900000000, 0.0010852900000000, -0.0003256000000000 ] - [ 0.0001579400000000, 0.0002675000000000, 0.0008981100000000 ] - [ 0.0012018200000000, -0.0007761600000000, -0.0000684900000000 ] - [ -0.0004000000000000, -0.0009254200000000, -0.0002203300000000 ] - [ 0.0006919700000000, 0.0012522600000000, -0.0014209500000000 ] - [ 0.0047883200000000, 0.0103629100000000, 0.0112348700000000 ] - [ 0.0004050000000000, 0.0001741300000000, -0.0005251500000000 ] - [ 0.0005680900000000, -0.0002455100000000, 0.0006814200000000 ] - [ -0.0000515000000000, 0.0003918600000000, 0.0001491100000000 ] - [ -0.0013359100000000, -0.0009954200000000, -0.0015431200000000 ] - [ -0.0003562700000000, -0.0004162300000000, 0.0000009200000000 ] - [ -0.0000032000000000, -0.0000022000000000, -0.0000940000000000 ] - [ 0.0000685200000000, 0.0000290200000000, 0.0000812500000000 ] - [ -0.0000564100000000, -0.0001331500000000, 0.0005240600000000 ] - [ -0.0007024600000000, -0.0003280500000000, 0.0007080600000000 ] - [ 0.0002762900000000, 0.0000098100000000, 0.0004365200000000 ] - [ -0.0000812400000000, 0.0002882800000000, -0.0006084300000000 ] - [ 0.0002940600000000, -0.0000683300000000, -0.0006115700000000 ] - [ -0.0002078700000000, -0.0002198800000000, -0.0006074300000000 ] - [ 0.0002955600000000, -0.0003130300000000, 0.0000980200000000 ] - [ -0.0004052700000000, -0.0000818800000000, 0.0001197300000000 ] - [ 0.0001182000000000, 0.0004059000000000, 0.0001116600000000 ] - [ -0.0003016500000000, 0.0003149300000000, -0.0001490800000000 ] - [ 0.0004219200000000, 0.0000850200000000, -0.0001546100000000 ] - [ -0.0001157200000000, -0.0004369800000000, -0.0001872500000000 ] - [ 0.0000761300000000, 0.0001898100000000, -0.0003095500000000 ] - [ 0.0001289500000000, -0.0001582700000000, -0.0003109600000000 ] - [ -0.0001985400000000, -0.0000266000000000, -0.0003112500000000 ] - [ -0.0001429400000000, -0.0000470300000000, 0.0002477600000000 ] - [ 0.0001930700000000, -0.0001805800000000, 0.0003877100000000 ] - [ 0.0003983800000000, -0.0000337500000000, -0.0005345700000000 ] - [ -0.0000558500000000, -0.0001774000000000, 0.0002499100000000 ] - [ -0.0001574800000000, 0.0001199500000000, 0.0002433100000000 ] - [ 0.0001930600000000, 0.0000365800000000, 0.0002273500000000 ] - [ 0.0000597000000000, 0.0001949000000000, -0.0002582900000000 ] - [ 0.0001284400000000, -0.0001252100000000, -0.0003184700000000 ] - [ -0.0001791600000000, -0.0000748500000000, -0.0002938800000000 ] - [ -0.0007949300000000, 0.0002117000000000, 0.0000452200000000 ] - [ 0.0006387300000000, 0.0007563100000000, 0.0001579400000000 ] - [ 0.0001960400000000, -0.0007911600000000, 0.0000258100000000 ] - [ 0.0008679300000000, -0.0002419000000000, -0.0001367600000000 ] - [ -0.0006381500000000, -0.0006284800000000, -0.0001307300000000 ] - [ -0.0002307700000000, 0.0008620500000000, -0.0001313200000000 ] - [ -0.0000255900000000, -0.0003957900000000, -0.0000182100000000 ] - [ -0.0003423500000000, 0.0002027900000000, -0.0000419700000000 ] - [ 0.0003522200000000, 0.0001761100000000, -0.0000197200000000 ] - [ -0.0000013000000000, 0.0004617500000000, 0.0001315700000000 ] - [ 0.0003167500000000, -0.0002346600000000, -0.0000232100000000 ] - [ -0.0003412500000000, -0.0001695700000000, 0.0000042200000000 ] - [ 0.0000614700000000, 0.0000604400000000, -0.0000591500000000 ] - [ -0.0000004600000000, -0.0000007200000000, 0.0000381300000000 ] - [ 0.0000674200000000, -0.0002663600000000, 0.0005551600000000 ] - [ -0.0002620600000000, 0.0000726400000000, 0.0005524100000000 ] - [ 0.0001974700000000, 0.0001925300000000, 0.0005526400000000 ] - [ -0.0001078700000000, 0.0002325400000000, -0.0004768400000000 ] - [ 0.0003135800000000, -0.0001247600000000, -0.0006740900000000 ] - [ -0.0001728100000000, -0.0003097000000000, -0.0006912000000000 ] - [ 0.0002715900000000, -0.0002936300000000, 0.0000757300000000 ] - [ -0.0004088800000000, -0.0001115800000000, 0.0001088800000000 ] - [ 0.0001149200000000, 0.0003993800000000, 0.0001141000000000 ] - [ -0.0003141000000000, 0.0003157200000000, -0.0001337800000000 ] - [ 0.0004296900000000, 0.0001104800000000, -0.0001385100000000 ] - [ -0.0001238300000000, -0.0004365800000000, -0.0001478900000000 ] - [ -0.0002178300000000, 0.0002358600000000, -0.0007176600000000 ] - [ 0.0001023000000000, -0.0002275700000000, -0.0003339700000000 ] - [ -0.0001050600000000, 0.0002803400000000, -0.0004245500000000 ] - [ -0.0000708300000000, -0.0001966400000000, 0.0002549700000000 ] - [ -0.0001355600000000, 0.0001554000000000, 0.0002581600000000 ] - [ 0.0001984500000000, 0.0000313300000000, 0.0002601500000000 ] - [ -0.0000504700000000, -0.0002169300000000, 0.0002451500000000 ] - [ -0.0001475500000000, 0.0001587400000000, 0.0002331100000000 ] - [ 0.0002152300000000, 0.0000698900000000, 0.0002528500000000 ] - [ 0.0000785400000000, 0.0002224000000000, -0.0002883500000000 ] - [ 0.0001475300000000, -0.0001760900000000, -0.0003048700000000 ] - [ -0.0002147800000000, -0.0000402300000000, -0.0002992100000000 ] - [ -0.0008323000000000, 0.0002403000000000, 0.0000837500000000 ] - [ 0.0006253900000000, 0.0005988600000000, 0.0000886500000000 ] - [ 0.0002107400000000, -0.0008397800000000, 0.0000840300000000 ] - [ 0.0008329400000000, -0.0002466200000000, -0.0000717700000000 ] - [ -0.0006586100000000, -0.0006293300000000, -0.0000695500000000 ] - [ -0.0001904500000000, 0.0008877200000000, -0.0001429800000000 ] - [ -0.0000223000000000, -0.0003561300000000, 0.0000185400000000 ] - [ -0.0003219400000000, 0.0002073900000000, -0.0000324100000000 ] - [ 0.0003443600000000, 0.0001561600000000, 0.0000590400000000 ] - [ 0.0000431500000000, 0.0003595100000000, -0.0000310100000000 ] - [ 0.0002977800000000, -0.0002175400000000, -0.0000301600000000 ] - [ -0.0003399600000000, -0.0001409000000000, -0.0000412600000000 ] - [ -0.0001786600000000, 0.0003394800000000, 0.0001081100000000 ] - [ 0.0002262100000000, 0.0000531400000000, 0.0003341800000000 ] - [ 0.0005725300000000, -0.0004641300000000, -0.0003483200000000 ] - [ -0.0003069800000000, 0.0007362600000000, -0.0001225400000000 ] - [ -0.0002195500000000, 0.0006050700000000, 0.0005858300000000 ] - [ -0.0000478700000000, 0.0002600700000000, 0.0003847200000000 ] - [ 0.0279435300000000, -0.0731845700000000, 0.0186700000000000 ] - [ -0.0009092900000000, 0.0007750600000000, -0.0004905000000000 ] - [ -0.0011949600000000, 0.0017431600000000, -0.0005605700000000 ] - [ -0.0007484000000000, 0.0000978600000000, 0.0001442600000000 ] - [ -0.0000275400000000, 0.0085170600000000, 0.0072206600000000 ] - [ 0.0002320800000000, -0.0000980200000000, -0.0012839200000000 ] - [ -0.0007803300000000, -0.0001015600000000, -0.0001129900000000 ] - [ 0.0002293100000000, -0.0002154200000000, -0.0002361300000000 ] - [ 0.0008226600000000, 0.0009542100000000, 0.0007670900000000 ] - [ -0.0000313100000000, 0.0010897700000000, -0.0000339300000000 ] - [ -0.0034143800000000, -0.0011817200000000, 0.0034756700000000 ] - [ -0.0008370500000000, 0.0007202400000000, 0.0008051600000000 ] - [ -0.0003173600000000, 0.0009955600000000, 0.0005825000000000 ] - [ 0.0003852400000000, -0.0002369500000000, -0.0010342900000000 ] - [ 0.0028883500000000, -0.0058437500000000, -0.0030314600000000 ] - [ -0.0007708600000000, 0.0008768000000000, -0.0002717400000000 ] - [ -0.0000347200000000, 0.0054229900000000, 0.0007240200000000 ] - [ -0.0013059900000000, -0.0031460800000000, 0.0047424400000000 ] - [ -0.0002736100000000, 0.0001130200000000, -0.0000526200000000 ] - [ 0.0001455100000000, -0.0005647800000000, -0.0006703300000000 ] - [ 0.0006028100000000, -0.0002817100000000, 0.0004121800000000 ] - [ 0.0000206900000000, 0.0000469900000000, 0.0001822800000000 ] - [ 0.0000328600000000, -0.0000397000000000, 0.0001765600000000 ] - [ -0.0000473900000000, -0.0000054300000000, 0.0001788900000000 ] - [ 0.0000030100000000, -0.0003207900000000, -0.0001197600000000 ] - [ -0.0002891400000000, 0.0001930000000000, -0.0000868800000000 ] - [ 0.0002836700000000, 0.0001697800000000, -0.0001313000000000 ] - [ -0.0000226500000000, 0.0002407200000000, 0.0001769500000000 ] - [ 0.0002683100000000, -0.0001508200000000, 0.0001725200000000 ] - [ -0.0002866400000000, -0.0001568900000000, 0.0001759900000000 ] - [ -0.0006449600000000, -0.0003192600000000, -0.0002707800000000 ] - [ 0.0000421300000000, 0.0004763100000000, -0.0003054700000000 ] - [ 0.0005011700000000, -0.0004076300000000, -0.0001519900000000 ] - [ 0.0006309400000000, 0.0002940400000000, 0.0002851500000000 ] - [ -0.0000581100000000, -0.0006841300000000, 0.0002852800000000 ] - [ -0.0005617800000000, 0.0004087900000000, 0.0002903000000000 ] - [ 0.0001407300000000, 0.0003039200000000, -0.0000664000000000 ] - [ 0.0002031300000000, -0.0003709100000000, -0.0001727400000000 ] - [ -0.0002656800000000, 0.0000597400000000, -0.0001117300000000 ] - [ -0.0001948200000000, -0.0002739500000000, 0.0002020300000000 ] - [ -0.0001477500000000, 0.0003086100000000, 0.0001839300000000 ] - [ 0.0003627400000000, -0.0000085000000000, 0.0001936100000000 ] - [ -0.0000301100000000, 0.0000798200000000, -0.0001161500000000 ] - [ 0.0000898100000000, -0.0000209800000000, -0.0001152800000000 ] - [ -0.0000621900000000, -0.0000749600000000, -0.0001139000000000 ] - [ 0.0002459000000000, 0.0001877300000000, 0.0000388900000000 ] - [ -0.0001639100000000, -0.0000056500000000, 0.0000497900000000 ] - [ -0.0001513000000000, 0.0002150000000000, 0.0002845300000000 ] - [ -0.0000781800000000, -0.0003838800000000, -0.0001248000000000 ] - [ -0.0002895600000000, 0.0002186000000000, -0.0000901200000000 ] - [ 0.0003752000000000, 0.0001279800000000, -0.0001200800000000 ] - [ -0.0000275900000000, 0.0004961600000000, 0.0002470000000000 ] - [ 0.0004286500000000, -0.0002225400000000, 0.0002371800000000 ] - [ -0.0003861900000000, -0.0002715600000000, 0.0002544100000000 ] - [ -0.0006123400000000, 0.0000015400000000, -0.0001770800000000 ] - [ 0.0003114800000000, 0.0005324000000000, -0.0001785200000000 ] - [ 0.0003065800000000, -0.0005428600000000, -0.0001769600000000 ] - [ 0.0006652900000000, 0.0001719200000000, 0.0002104300000000 ] - [ -0.0001841600000000, -0.0007620900000000, 0.0001896600000000 ] - [ -0.0005226100000000, 0.0003578400000000, 0.0004335700000000 ] - [ 0.0002042600000000, 0.0002131500000000, -0.0001490400000000 ] - [ 0.0000705800000000, -0.0002740000000000, -0.0001536000000000 ] - [ -0.0002865800000000, 0.0000734300000000, -0.0001428800000000 ] - [ -0.0002188400000000, -0.0001333300000000, 0.0002278200000000 ] - [ -0.0000521600000000, 0.0002250100000000, 0.0001840300000000 ] - [ 0.0002185500000000, -0.0000891500000000, 0.0002494000000000 ]- atom: 133 displacement: [ 0.0050000000088145, -0.0086602540327554, 0.0000000000000000 ] forces: - [ 0.0015679900000000, 0.0004773500000000, 0.0007724600000000 ] - [ 0.0002781800000000, 0.0004245900000000, 0.0000663500000000 ] - [ 0.0001958000000000, -0.0005565900000000, 0.0004641700000000 ] - [ -0.0004394900000000, -0.0001174600000000, 0.0002008200000000 ] - [ 0.0000021000000000, 0.0000017100000000, -0.0005419400000000 ] - [ 0.0000942000000000, -0.0000385500000000, 0.0004593000000000 ] - [ -0.0000510100000000, 0.0000014800000000, -0.0001300100000000 ] - [ 0.0000008400000000, 0.0000027800000000, 0.0000936000000000 ] - [ -0.0000251300000000, -0.0000406200000000, -0.0005703000000000 ] - [ -0.0000027500000000, -0.0000012600000000, 0.0005013300000000 ] - [ 0.0000007300000000, 0.0000009800000000, -0.0001274200000000 ] - [ -0.0000089200000000, -0.0000288500000000, 0.0000931000000000 ] - [ -0.0009323900000000, 0.0005799800000000, 0.0003139200000000 ] - [ 0.0004011700000000, 0.0001319200000000, 0.0001256600000000 ] - [ -0.0000642700000000, -0.0002638300000000, 0.0006778600000000 ] - [ -0.0001302400000000, -0.0001518500000000, 0.0004461000000000 ] - [ 0.0001180200000000, 0.0004093500000000, 0.0006165500000000 ] - [ 0.0006978700000000, 0.0008053500000000, 0.0001397900000000 ] - [ 0.0001825700000000, -0.0000941100000000, -0.0004502100000000 ] - [ -0.0006623200000000, 0.0000408100000000, -0.0008118600000000 ] - [ 0.0000003900000000, -0.0005746300000000, 0.0000035900000000 ] - [ -0.0010293400000000, 0.0000767100000000, 0.0001690800000000 ] - [ 0.0106345100000000, -0.0443702700000000, 0.0276451600000000 ] - [ -0.0016478400000000, 0.0017859400000000, 0.0007962000000000 ] - [ -0.0021192500000000, -0.0039949600000000, 0.0029296900000000 ] - [ -0.0005311000000000, -0.0005141300000000, -0.0002533400000000 ] - [ 0.0000826400000000, 0.0001899200000000, -0.0001925500000000 ] - [ -0.0000709300000000, -0.0000723200000000, -0.0003417400000000 ] - [ -0.0002278200000000, -0.0002958200000000, -0.0001460100000000 ] - [ -0.0001097700000000, -0.0002284300000000, 0.0003352200000000 ] - [ -0.0000541300000000, 0.0000912600000000, 0.0002394900000000 ] - [ 0.0000750500000000, 0.0000454500000000, 0.0001713500000000 ] - [ -0.0005505800000000, 0.0011332700000000, 0.0000237600000000 ] - [ 0.0213859600000000, -0.0099348900000000, 0.0064175400000000 ] - [ -0.0000243400000000, 0.0006741600000000, 0.0002289300000000 ] - [ 0.0004604800000000, 0.0004291400000000, -0.0009253500000000 ] - [ -0.0004574800000000, -0.0023643200000000, 0.0000776800000000 ] - [ -0.0000612000000000, 0.0021480600000000, 0.0004227300000000 ] - [ -0.0008797500000000, 0.0005454100000000, 0.0003196200000000 ] - [ 0.0009984900000000, 0.0001532100000000, 0.0005396600000000 ] - [ 0.0002821100000000, -0.0019989400000000, -0.0006864200000000 ] - [ 0.0004747800000000, 0.0002914000000000, -0.0001598200000000 ] - [ -0.0008560900000000, -0.0002739400000000, -0.0000033800000000 ] - [ -0.0011087100000000, 0.0004298700000000, 0.0011912600000000 ] - [ -0.0047500800000000, -0.0110305700000000, -0.0110391100000000 ] - [ -0.0010107700000000, 0.0002429800000000, 0.0005382600000000 ] - [ 0.0001008700000000, 0.0005590500000000, -0.0006681900000000 ] - [ 0.0001000900000000, 0.0003562700000000, -0.0001711200000000 ] - [ 0.0019756800000000, 0.0005909700000000, 0.0015258800000000 ] - [ -0.0003217600000000, 0.0000788600000000, -0.0000276900000000 ] - [ 0.0000044500000000, 0.0000014400000000, -0.0000536400000000 ] - [ -0.0000687900000000, -0.0000301100000000, 0.0000663800000000 ] - [ 0.0002116100000000, -0.0004337900000000, 0.0006429500000000 ] - [ 0.0001355800000000, 0.0004744900000000, 0.0004624200000000 ] - [ 0.0001369100000000, 0.0004082400000000, 0.0007283700000000 ] - [ -0.0000736900000000, 0.0002774900000000, -0.0005580300000000 ] - [ 0.0002723900000000, -0.0000830200000000, -0.0005543900000000 ] - [ -0.0002041100000000, -0.0001997700000000, -0.0005567100000000 ] - [ 0.0002944300000000, -0.0003037100000000, 0.0001541600000000 ] - [ -0.0004196400000000, -0.0001189100000000, 0.0001328300000000 ] - [ 0.0001212900000000, 0.0004101500000000, 0.0001385100000000 ] - [ -0.0002868000000000, 0.0002994200000000, -0.0001021200000000 ] - [ 0.0004039000000000, 0.0001140000000000, -0.0000977900000000 ] - [ -0.0001225000000000, -0.0003813700000000, -0.0000625600000000 ] - [ 0.0000677700000000, 0.0001861900000000, -0.0002614300000000 ] - [ 0.0001269300000000, -0.0001527800000000, -0.0002607400000000 ] - [ -0.0001894200000000, -0.0000272100000000, -0.0002641500000000 ] - [ 0.0000006600000000, -0.0003316800000000, 0.0003233000000000 ] - [ -0.0004454800000000, 0.0004889000000000, 0.0001850300000000 ] - [ -0.0000097700000000, 0.0000865200000000, 0.0011154800000000 ] - [ -0.0000404200000000, -0.0002052500000000, 0.0002861900000000 ] - [ -0.0001240100000000, 0.0001505400000000, 0.0002948600000000 ] - [ 0.0001797900000000, 0.0000744600000000, 0.0003097400000000 ] - [ 0.0000375700000000, 0.0001860500000000, -0.0002767100000000 ] - [ 0.0001538700000000, -0.0001471600000000, -0.0002185100000000 ] - [ -0.0001922000000000, -0.0000375200000000, -0.0002426100000000 ] - [ -0.0009295200000000, 0.0002615600000000, 0.0001653700000000 ] - [ 0.0006308800000000, 0.0004948100000000, 0.0000531700000000 ] - [ 0.0002578800000000, -0.0009334900000000, 0.0001855300000000 ] - [ 0.0008577000000000, -0.0002326200000000, -0.0000730100000000 ] - [ -0.0006301700000000, -0.0006239700000000, -0.0000794900000000 ] - [ -0.0002221000000000, 0.0008599800000000, -0.0000791400000000 ] - [ -0.0000402200000000, -0.0003884500000000, 0.0000270700000000 ] - [ -0.0003036500000000, 0.0002446300000000, 0.0000511500000000 ] - [ 0.0003658800000000, 0.0001617800000000, 0.0000304000000000 ] - [ 0.0000678500000000, 0.0003205600000000, -0.0001398400000000 ] - [ 0.0003312500000000, -0.0002144900000000, 0.0000152400000000 ] - [ -0.0003752900000000, -0.0001702800000000, -0.0000147100000000 ] - [ -0.0000577400000000, -0.0000629800000000, -0.0000909300000000 ] - [ 0.0000002200000000, -0.0000004900000000, 0.0000799300000000 ] - [ 0.0000840300000000, -0.0002768900000000, 0.0006070700000000 ] - [ -0.0002811500000000, 0.0000679600000000, 0.0006091300000000 ] - [ 0.0001964400000000, 0.0002094900000000, 0.0006061700000000 ] - [ -0.0000478500000000, 0.0003371900000000, -0.0006825000000000 ] - [ 0.0002580200000000, -0.0000276700000000, -0.0004862300000000 ] - [ -0.0002425000000000, -0.0001102700000000, -0.0004657200000000 ] - [ 0.0003235600000000, -0.0003231900000000, 0.0001832500000000 ] - [ -0.0004201300000000, -0.0000927700000000, 0.0001509300000000 ] - [ 0.0001235600000000, 0.0004214000000000, 0.0001423800000000 ] - [ -0.0003000200000000, 0.0003120500000000, -0.0001080200000000 ] - [ 0.0004219800000000, 0.0001047100000000, -0.0001043400000000 ] - [ -0.0001125800000000, -0.0004126100000000, -0.0000921300000000 ] - [ 0.0003208500000000, 0.0001501300000000, 0.0001374500000000 ] - [ 0.0001795700000000, -0.0000513500000000, -0.0002471800000000 ] - [ -0.0002703600000000, -0.0003758500000000, -0.0001598900000000 ] - [ -0.0000719700000000, -0.0002002100000000, 0.0003112000000000 ] - [ -0.0001350800000000, 0.0001633000000000, 0.0003075700000000 ] - [ 0.0002075400000000, 0.0000304000000000, 0.0003091400000000 ] - [ -0.0000613700000000, -0.0002183400000000, 0.0002885400000000 ] - [ -0.0001709600000000, 0.0001516300000000, 0.0003037200000000 ] - [ 0.0002108000000000, 0.0000536000000000, 0.0002840800000000 ] - [ 0.0000804800000000, 0.0001986300000000, -0.0002493800000000 ] - [ 0.0001383400000000, -0.0001697000000000, -0.0002354300000000 ] - [ -0.0002232900000000, -0.0000374800000000, -0.0002410800000000 ] - [ -0.0008430500000000, 0.0002421200000000, 0.0001430900000000 ] - [ 0.0006300000000000, 0.0006047300000000, 0.0001385500000000 ] - [ 0.0002100400000000, -0.0008480600000000, 0.0001438300000000 ] - [ 0.0008924600000000, -0.0002453400000000, -0.0001393900000000 ] - [ -0.0006230100000000, -0.0006152600000000, -0.0001408300000000 ] - [ -0.0002487800000000, 0.0008426700000000, -0.0000688200000000 ] - [ -0.0000254600000000, -0.0003950000000000, 0.0000038900000000 ] - [ -0.0003093900000000, 0.0002093800000000, 0.0000563200000000 ] - [ 0.0003359400000000, 0.0001824200000000, -0.0000345600000000 ] - [ 0.0000207200000000, 0.0003667600000000, 0.0000203000000000 ] - [ 0.0003042600000000, -0.0002018700000000, 0.0000191800000000 ] - [ -0.0003266400000000, -0.0001745700000000, 0.0000289800000000 ] - [ -0.0002838700000000, -0.0002830700000000, -0.0002807500000000 ] - [ 0.0000455300000000, 0.0003018900000000, -0.0005045100000000 ] - [ -0.0003921000000000, 0.0000548000000000, 0.0001761900000000 ] - [ 0.0003530300000000, -0.0008865900000000, 0.0004267800000000 ] - [ 0.0000547700000000, -0.0005669300000000, -0.0002916400000000 ] - [ 0.0001600400000000, -0.0001192500000000, -0.0000837200000000 ] - [ -0.0276257300000000, 0.0741485800000000, -0.0204426300000000 ] - [ 0.0000505500000000, -0.0003301500000000, 0.0000759000000000 ] - [ 0.0020186200000000, -0.0012225900000000, 0.0001533700000000 ] - [ 0.0008871600000000, 0.0006581900000000, 0.0001383900000000 ] - [ 0.0006109000000000, -0.0090772100000000, -0.0069394400000000 ] - [ -0.0009396100000000, -0.0001578800000000, 0.0015737900000000 ] - [ -0.0004847200000000, -0.0002370900000000, -0.0004317800000000 ] - [ 0.0001177300000000, 0.0014850600000000, -0.0003107400000000 ] - [ 0.0001037700000000, -0.0019032800000000, -0.0013174700000000 ] - [ 0.0012755100000000, -0.0010996100000000, 0.0004601500000000 ] - [ 0.0027982500000000, 0.0001217900000000, -0.0030467500000000 ] - [ 0.0002228900000000, 0.0003640400000000, -0.0003797100000000 ] - [ 0.0007169200000000, -0.0006800700000000, -0.0009537900000000 ] - [ -0.0003053000000000, -0.0002646300000000, 0.0006594700000000 ] - [ -0.0033509200000000, 0.0060297100000000, 0.0026647500000000 ] - [ 0.0003574600000000, -0.0013074500000000, 0.0006577100000000 ] - [ -0.0001079100000000, -0.0048531400000000, -0.0003051000000000 ] - [ 0.0018718800000000, 0.0030095000000000, -0.0043580900000000 ] - [ 0.0002287900000000, -0.0001945700000000, -0.0002380800000000 ] - [ -0.0001992200000000, 0.0006377500000000, 0.0003835800000000 ] - [ -0.0005088800000000, 0.0002802500000000, -0.0007018000000000 ] - [ 0.0000250700000000, 0.0000309200000000, 0.0001071200000000 ] - [ 0.0000203300000000, -0.0000380800000000, 0.0001074400000000 ] - [ -0.0000456100000000, 0.0000089800000000, 0.0001082700000000 ] - [ -0.0000035500000000, -0.0003216500000000, -0.0001865600000000 ] - [ -0.0002621800000000, 0.0001140000000000, -0.0002187500000000 ] - [ 0.0002613200000000, 0.0001770800000000, -0.0001761600000000 ] - [ 0.0000244100000000, 0.0004001700000000, 0.0001276100000000 ] - [ 0.0002835800000000, -0.0001573900000000, 0.0001311400000000 ] - [ -0.0002566900000000, -0.0001922700000000, 0.0001298000000000 ] - [ -0.0006093800000000, -0.0002692300000000, -0.0002272300000000 ] - [ 0.0000806300000000, 0.0008914100000000, -0.0001932600000000 ] - [ 0.0006328300000000, -0.0003855800000000, -0.0003446600000000 ] - [ 0.0006241200000000, 0.0002926800000000, 0.0002117100000000 ] - [ -0.0000625600000000, -0.0006831600000000, 0.0002137800000000 ] - [ -0.0005710200000000, 0.0003823700000000, 0.0002049700000000 ] - [ 0.0002390900000000, 0.0002709300000000, -0.0002313600000000 ] - [ 0.0001047600000000, -0.0002459500000000, -0.0001257300000000 ] - [ -0.0004223800000000, -0.0000207800000000, -0.0001881100000000 ] - [ -0.0001838000000000, -0.0003026800000000, 0.0000940600000000 ] - [ -0.0001582500000000, 0.0003061900000000, 0.0001128100000000 ] - [ 0.0003268700000000, -0.0000318800000000, 0.0001033800000000 ] - [ -0.0000169800000000, 0.0000713500000000, -0.0001885100000000 ] - [ 0.0000754300000000, -0.0000216300000000, -0.0001842100000000 ] - [ -0.0000476900000000, -0.0000676200000000, -0.0001877300000000 ] - [ 0.0002190900000000, -0.0002476000000000, 0.0001327300000000 ] - [ -0.0001073200000000, -0.0003490700000000, 0.0001183900000000 ] - [ -0.0000295700000000, 0.0001929300000000, -0.0001149200000000 ] - [ -0.0000606400000000, -0.0003708300000000, -0.0001597200000000 ] - [ -0.0002848200000000, 0.0002552300000000, -0.0001937000000000 ] - [ 0.0003350300000000, 0.0001201300000000, -0.0001676400000000 ] - [ -0.0000410200000000, 0.0004764100000000, 0.0001692100000000 ] - [ 0.0004351500000000, -0.0002236700000000, 0.0001790100000000 ] - [ -0.0004380500000000, -0.0002497900000000, 0.0001628000000000 ] - [ -0.0006290000000000, 0.0000082300000000, -0.0002511300000000 ] - [ 0.0003150800000000, 0.0005336300000000, -0.0002514000000000 ] - [ 0.0003076700000000, -0.0005435000000000, -0.0002511300000000 ] - [ 0.0006037200000000, 0.0001617600000000, 0.0003346600000000 ] - [ -0.0001620900000000, -0.0005092700000000, 0.0003551500000000 ] - [ -0.0004030800000000, 0.0005799600000000, 0.0001088700000000 ] - [ 0.0002124200000000, 0.0002138600000000, -0.0002356800000000 ] - [ 0.0000856700000000, -0.0002800500000000, -0.0002331500000000 ] - [ -0.0002757400000000, 0.0000716400000000, -0.0002446000000000 ] - [ -0.0001784100000000, -0.0001882500000000, 0.0001440300000000 ] - [ -0.0000231600000000, 0.0002769200000000, 0.0001898200000000 ] - [ 0.0002537700000000, -0.0000910700000000, 0.0001239500000000 ]- atom: 133 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009661200000000, -0.0001330600000000, -0.0004452200000000 ] - [ -0.0007398300000000, 0.0009125800000000, 0.0010108700000000 ] - [ 0.0002323300000000, -0.0002582500000000, -0.0001815900000000 ] - [ -0.0001179000000000, 0.0000256500000000, -0.0003265900000000 ] - [ -0.0000042400000000, -0.0000006200000000, -0.0003769900000000 ] - [ -0.0001129500000000, 0.0000104600000000, 0.0006934100000000 ] - [ 0.0000182100000000, 0.0000104600000000, 0.0000297600000000 ] - [ 0.0000023200000000, -0.0000028500000000, 0.0002472300000000 ] - [ 0.0000234300000000, 0.0000071800000000, -0.0003783500000000 ] - [ -0.0000019200000000, -0.0000000100000000, 0.0006649400000000 ] - [ -0.0000011500000000, 0.0000021600000000, 0.0000263900000000 ] - [ 0.0000082300000000, -0.0000293000000000, 0.0002471900000000 ] - [ 0.0015638000000000, 0.0000831900000000, -0.0003810200000000 ] - [ -0.0003686100000000, -0.0002210900000000, 0.0000056300000000 ] - [ -0.0001644100000000, -0.0002241900000000, 0.0006590800000000 ] - [ -0.0001373500000000, -0.0002548900000000, 0.0005301200000000 ] - [ 0.0003981000000000, -0.0000505200000000, 0.0002952600000000 ] - [ -0.0012635200000000, 0.0001482300000000, -0.0015550800000000 ] - [ 0.0004623000000000, -0.0000238400000000, -0.0006572600000000 ] - [ -0.0002728300000000, -0.0002656600000000, -0.0001315500000000 ] - [ 0.0014230900000000, -0.0002062700000000, 0.0014828100000000 ] - [ -0.0009148900000000, -0.0002081300000000, 0.0005945400000000 ] - [ 0.0069971900000000, -0.0261309800000000, 0.0210656000000000 ] - [ -0.0005318400000000, 0.0003350300000000, 0.0012228300000000 ] - [ -0.0231440700000000, -0.0162499700000000, 0.0468862100000000 ] - [ 0.0000012800000000, -0.0004632700000000, 0.0002516100000000 ] - [ -0.0000289500000000, 0.0003024300000000, -0.0002351500000000 ] - [ 0.0002977400000000, -0.0002958500000000, -0.0005817900000000 ] - [ -0.0000641000000000, 0.0001003700000000, -0.0005666000000000 ] - [ 0.0000150400000000, -0.0002819400000000, 0.0000477600000000 ] - [ -0.0001535200000000, 0.0001816400000000, 0.0002152900000000 ] - [ 0.0001812400000000, 0.0000013900000000, 0.0001871400000000 ] - [ -0.0001111300000000, -0.0008380600000000, 0.0013237300000000 ] - [ 0.0082003000000000, -0.0028711500000000, 0.0072579600000000 ] - [ 0.0003327800000000, 0.0003313000000000, 0.0009028400000000 ] - [ -0.0007652500000000, 0.0011988300000000, 0.0019446500000000 ] - [ -0.0002211200000000, -0.0009546500000000, 0.0004653300000000 ] - [ 0.0002721200000000, 0.0013699100000000, 0.0010483600000000 ] - [ -0.0006034200000000, 0.0001765300000000, -0.0000505100000000 ] - [ 0.0002346300000000, 0.0005541500000000, 0.0001225600000000 ] - [ 0.0000203700000000, -0.0009057600000000, 0.0002413000000000 ] - [ 0.0011899100000000, -0.0001319700000000, 0.0003096400000000 ] - [ -0.0002357000000000, -0.0019367600000000, -0.0006627100000000 ] - [ 0.0006942600000000, 0.0013334100000000, 0.0001098800000000 ] - [ 0.0110104300000000, 0.0177633800000000, 0.0294653500000000 ] - [ -0.0004756400000000, 0.0004359800000000, 0.0011399300000000 ] - [ 0.0003738600000000, 0.0000996900000000, 0.0001615200000000 ] - [ -0.0002776600000000, 0.0003846900000000, 0.0004621600000000 ] - [ 0.0003516300000000, -0.0007860500000000, -0.0001415800000000 ] - [ 0.0014028800000000, 0.0018987200000000, 0.0004555800000000 ] - [ 0.0000009700000000, -0.0000020000000000, -0.0002376900000000 ] - [ -0.0001597900000000, -0.0000285500000000, -0.0000846000000000 ] - [ 0.0001222600000000, -0.0001425000000000, 0.0003783100000000 ] - [ -0.0005502500000000, 0.0000491800000000, 0.0003824700000000 ] - [ 0.0001835700000000, -0.0000649500000000, 0.0003606800000000 ] - [ -0.0001331800000000, 0.0003295100000000, -0.0007914500000000 ] - [ 0.0003523900000000, -0.0000467100000000, -0.0007937900000000 ] - [ -0.0002179100000000, -0.0002824600000000, -0.0007896800000000 ] - [ 0.0002444400000000, -0.0002669000000000, -0.0000479100000000 ] - [ -0.0003301800000000, -0.0000787900000000, -0.0000584600000000 ] - [ 0.0001035200000000, 0.0003561500000000, -0.0000299200000000 ] - [ -0.0003217700000000, 0.0003558000000000, -0.0002836700000000 ] - [ 0.0004784900000000, 0.0001078600000000, -0.0003053900000000 ] - [ -0.0001322900000000, -0.0005012100000000, -0.0003375000000000 ] - [ 0.0000918500000000, 0.0002115800000000, -0.0004757800000000 ] - [ 0.0001381400000000, -0.0001827900000000, -0.0004773900000000 ] - [ -0.0002243400000000, -0.0000196500000000, -0.0004777500000000 ] - [ 0.0002336700000000, -0.0002028300000000, 0.0002287000000000 ] - [ 0.0000301200000000, 0.0001660100000000, 0.0003164400000000 ] - [ 0.0004222200000000, -0.0001526200000000, -0.0005970200000000 ] - [ -0.0000214000000000, -0.0001654600000000, 0.0000476100000000 ] - [ -0.0001623300000000, 0.0001044600000000, 0.0000502500000000 ] - [ 0.0001681200000000, 0.0000379900000000, 0.0000609800000000 ] - [ 0.0000632600000000, 0.0002143900000000, -0.0004719300000000 ] - [ 0.0001257600000000, -0.0001588100000000, -0.0005053800000000 ] - [ -0.0002093900000000, -0.0000459100000000, -0.0004639500000000 ] - [ -0.0008543800000000, 0.0001630100000000, -0.0000354300000000 ] - [ 0.0006236400000000, 0.0007134200000000, -0.0001209800000000 ] - [ 0.0001106900000000, -0.0007903100000000, -0.0001319300000000 ] - [ 0.0008883500000000, -0.0002446100000000, -0.0003261900000000 ] - [ -0.0006523700000000, -0.0006445500000000, -0.0003274100000000 ] - [ -0.0002386000000000, 0.0008831000000000, -0.0003268600000000 ] - [ 0.0000487500000000, -0.0004013200000000, -0.0001933400000000 ] - [ -0.0003878800000000, 0.0001425500000000, -0.0002145100000000 ] - [ 0.0003310400000000, 0.0002445300000000, -0.0001874100000000 ] - [ 0.0001137800000000, 0.0004064100000000, -0.0002556300000000 ] - [ 0.0002735900000000, -0.0002802800000000, -0.0001294400000000 ] - [ -0.0003928200000000, -0.0000928300000000, -0.0001732600000000 ] - [ 0.0000546500000000, -0.0001303500000000, -0.0002595700000000 ] - [ -0.0000010700000000, 0.0000034400000000, -0.0001041600000000 ] - [ 0.0000176100000000, -0.0002228700000000, 0.0003735000000000 ] - [ -0.0002035000000000, 0.0000958300000000, 0.0003741700000000 ] - [ 0.0001852200000000, 0.0001265500000000, 0.0003696600000000 ] - [ -0.0002834600000000, 0.0002796900000000, -0.0008433300000000 ] - [ 0.0003738500000000, -0.0000529800000000, -0.0006777400000000 ] - [ -0.0003206400000000, -0.0000984400000000, -0.0007931100000000 ] - [ 0.0002447500000000, -0.0002593700000000, -0.0000517500000000 ] - [ -0.0003407900000000, -0.0000770400000000, -0.0000443800000000 ] - [ 0.0000911300000000, 0.0003611100000000, -0.0000367900000000 ] - [ -0.0003522700000000, 0.0003753200000000, -0.0003113300000000 ] - [ 0.0004855700000000, 0.0001235900000000, -0.0002955900000000 ] - [ -0.0001321800000000, -0.0004941100000000, -0.0002883100000000 ] - [ -0.0000089500000000, 0.0000016600000000, -0.0005018400000000 ] - [ 0.0002450700000000, -0.0000689200000000, -0.0004373800000000 ] - [ -0.0002618200000000, 0.0001703100000000, -0.0004202700000000 ] - [ -0.0000537200000000, -0.0001739300000000, 0.0000890600000000 ] - [ -0.0001259300000000, 0.0001304900000000, 0.0000945300000000 ] - [ 0.0001728000000000, 0.0000375300000000, 0.0000951100000000 ] - [ -0.0000340300000000, -0.0002002900000000, 0.0000523500000000 ] - [ -0.0001663200000000, 0.0001173600000000, 0.0000704100000000 ] - [ 0.0001936500000000, 0.0000630000000000, 0.0000333400000000 ] - [ 0.0001003600000000, 0.0002220000000000, -0.0004894600000000 ] - [ 0.0001494700000000, -0.0002010000000000, -0.0004695300000000 ] - [ -0.0002471800000000, -0.0000170300000000, -0.0004938600000000 ] - [ -0.0008139400000000, 0.0002387900000000, -0.0001107800000000 ] - [ 0.0006118800000000, 0.0005844900000000, -0.0001090000000000 ] - [ 0.0002015800000000, -0.0008210700000000, -0.0001037600000000 ] - [ 0.0009182100000000, -0.0002659200000000, -0.0003997600000000 ] - [ -0.0006177700000000, -0.0006556100000000, -0.0003230700000000 ] - [ -0.0001877900000000, 0.0008386400000000, -0.0002373800000000 ] - [ 0.0000520600000000, -0.0003963600000000, -0.0001639800000000 ] - [ -0.0003530000000000, 0.0001268300000000, -0.0001638300000000 ] - [ 0.0003110800000000, 0.0002894100000000, -0.0003152900000000 ] - [ 0.0001164000000000, 0.0003540900000000, -0.0002022300000000 ] - [ 0.0002464000000000, -0.0002725700000000, -0.0002014100000000 ] - [ -0.0003690500000000, -0.0000760200000000, -0.0002102400000000 ] - [ -0.0003622200000000, -0.0000429400000000, 0.0002090900000000 ] - [ 0.0007704300000000, -0.0000733900000000, 0.0003336000000000 ] - [ 0.0004788700000000, 0.0000918800000000, 0.0000904900000000 ] - [ -0.0000596700000000, -0.0002162400000000, -0.0001768000000000 ] - [ 0.0001169000000000, 0.0006559300000000, 0.0010460900000000 ] - [ -0.0006841900000000, -0.0000989700000000, 0.0009945600000000 ] - [ 0.0032108500000000, 0.0237422000000000, -0.0970351400000000 ] - [ -0.0007866400000000, 0.0001557200000000, -0.0006064800000000 ] - [ 0.0009697000000000, 0.0002653700000000, -0.0006038600000000 ] - [ 0.0005265900000000, 0.0006437800000000, -0.0004533600000000 ] - [ -0.0011427900000000, -0.0002307700000000, -0.0060072700000000 ] - [ -0.0048851100000000, -0.0056807400000000, -0.0060074400000000 ] - [ -0.0005907700000000, -0.0005157400000000, 0.0002695600000000 ] - [ 0.0005747500000000, 0.0006597600000000, -0.0004310100000000 ] - [ 0.0008704400000000, 0.0004401200000000, 0.0008659000000000 ] - [ 0.0000059200000000, 0.0002240600000000, 0.0004666000000000 ] - [ -0.0044178400000000, -0.0009675100000000, 0.0050475300000000 ] - [ -0.0012365700000000, -0.0002951700000000, -0.0001217400000000 ] - [ -0.0004230400000000, -0.0009806900000000, -0.0021519800000000 ] - [ 0.0007390300000000, -0.0007583400000000, -0.0011454700000000 ] - [ 0.0023336200000000, 0.0017589600000000, 0.0006967600000000 ] - [ -0.0004720600000000, -0.0006646800000000, -0.0006527200000000 ] - [ -0.0007301900000000, 0.0069872800000000, -0.0045012100000000 ] - [ -0.0013707200000000, 0.0016704200000000, -0.0041719200000000 ] - [ 0.0001512300000000, 0.0003815800000000, 0.0001793700000000 ] - [ -0.0001974500000000, -0.0004462300000000, -0.0000909100000000 ] - [ 0.0005639600000000, -0.0007318700000000, 0.0003595200000000 ] - [ 0.0000006800000000, 0.0000887700000000, 0.0004184600000000 ] - [ 0.0000766700000000, -0.0000399100000000, 0.0004164000000000 ] - [ -0.0000723400000000, -0.0000403600000000, 0.0004194600000000 ] - [ -0.0000009300000000, -0.0003008000000000, 0.0001103000000000 ] - [ -0.0002524800000000, 0.0001891400000000, 0.0001388400000000 ] - [ 0.0002067400000000, 0.0001524400000000, 0.0001020800000000 ] - [ 0.0000096900000000, 0.0003546600000000, 0.0004558700000000 ] - [ 0.0002982800000000, -0.0001504900000000, 0.0003952000000000 ] - [ -0.0002920800000000, -0.0001860600000000, 0.0003964000000000 ] - [ -0.0005761600000000, -0.0004278600000000, 0.0000684300000000 ] - [ 0.0002995000000000, 0.0007088200000000, 0.0002582800000000 ] - [ 0.0005189900000000, -0.0002643700000000, -0.0001962500000000 ] - [ 0.0006364900000000, 0.0002867900000000, 0.0005274400000000 ] - [ -0.0000747800000000, -0.0006882800000000, 0.0005282200000000 ] - [ -0.0005620700000000, 0.0004244800000000, 0.0005338700000000 ] - [ 0.0002326600000000, 0.0003004600000000, 0.0001780700000000 ] - [ 0.0001425800000000, -0.0004022800000000, 0.0001866000000000 ] - [ -0.0002581000000000, 0.0000626800000000, 0.0002130500000000 ] - [ -0.0001637000000000, -0.0003011400000000, 0.0004918100000000 ] - [ -0.0001830700000000, 0.0002877700000000, 0.0004976300000000 ] - [ 0.0003594400000000, 0.0000319100000000, 0.0005002700000000 ] - [ -0.0000478400000000, 0.0001225400000000, 0.0001240000000000 ] - [ 0.0001341400000000, -0.0000267200000000, 0.0001242100000000 ] - [ -0.0000835600000000, -0.0001114300000000, 0.0001228300000000 ] - [ 0.0002026600000000, -0.0001648100000000, 0.0006026800000000 ] - [ 0.0000491200000000, -0.0000967100000000, 0.0002468800000000 ] - [ -0.0003240800000000, 0.0003370500000000, 0.0001906500000000 ] - [ -0.0000684800000000, -0.0003373300000000, 0.0001214200000000 ] - [ -0.0002650900000000, 0.0002495300000000, 0.0001139100000000 ] - [ 0.0002729000000000, 0.0000955000000000, 0.0001478400000000 ] - [ -0.0000494200000000, 0.0005227300000000, 0.0004671400000000 ] - [ 0.0004767400000000, -0.0002620000000000, 0.0004775400000000 ] - [ -0.0004316200000000, -0.0002815400000000, 0.0004779400000000 ] - [ -0.0006108500000000, -0.0000077700000000, 0.0000718800000000 ] - [ 0.0002993500000000, 0.0005276500000000, 0.0000668200000000 ] - [ 0.0003109700000000, -0.0005331400000000, 0.0000703800000000 ] - [ 0.0004904000000000, 0.0002051800000000, 0.0007287200000000 ] - [ -0.0002174900000000, -0.0006087700000000, 0.0004463200000000 ] - [ -0.0004690600000000, 0.0005789700000000, 0.0005159500000000 ] - [ 0.0002455600000000, 0.0001905200000000, 0.0001641800000000 ] - [ 0.0000437000000000, -0.0002996000000000, 0.0001579700000000 ] - [ -0.0002737500000000, 0.0001189200000000, 0.0001429600000000 ] - [ -0.0001500600000000, -0.0002021100000000, 0.0005674800000000 ] - [ -0.0000580900000000, 0.0002496200000000, 0.0005548400000000 ] - [ 0.0002051800000000, -0.0000148100000000, 0.0004840600000000 ]- atom: 133 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0009619800000000, 0.0001291300000000, -0.0006025200000000 ] - [ 0.0007415300000000, -0.0009077800000000, 0.0000323000000000 ] - [ -0.0002320500000000, 0.0002584800000000, -0.0000465900000000 ] - [ 0.0001162000000000, -0.0000260200000000, 0.0005525200000000 ] - [ 0.0000049300000000, 0.0000000500000000, -0.0006719500000000 ] - [ 0.0001126000000000, -0.0000092800000000, 0.0003534000000000 ] - [ -0.0000175400000000, -0.0000092500000000, -0.0002573600000000 ] - [ -0.0000031400000000, 0.0000014200000000, -0.0000216700000000 ] - [ -0.0000244700000000, -0.0000089700000000, -0.0006687000000000 ] - [ -0.0000005300000000, 0.0000016800000000, 0.0003802800000000 ] - [ 0.0000032300000000, -0.0000019400000000, -0.0002533200000000 ] - [ -0.0000103900000000, 0.0000278700000000, -0.0000185400000000 ] - [ -0.0015593500000000, -0.0000860900000000, 0.0002618600000000 ] - [ 0.0003683700000000, 0.0002263900000000, 0.0001436700000000 ] - [ 0.0003186000000000, -0.0003463700000000, 0.0004947900000000 ] - [ -0.0004352700000000, 0.0004081900000000, 0.0006273100000000 ] - [ 0.0000168200000000, 0.0004719900000000, 0.0008572900000000 ] - [ 0.0011212500000000, 0.0003984500000000, 0.0004028000000000 ] - [ 0.0000849600000000, -0.0001149200000000, -0.0005019500000000 ] - [ -0.0001197000000000, -0.0001354100000000, -0.0010234300000000 ] - [ -0.0008125900000000, -0.0004251300000000, -0.0012411100000000 ] - [ 0.0000618100000000, -0.0000061500000000, -0.0003529700000000 ] - [ -0.0066533000000000, 0.0265359700000000, -0.0208212800000000 ] - [ -0.0000635600000000, 0.0002858600000000, -0.0014835600000000 ] - [ 0.0250126100000000, 0.0171914300000000, -0.0483450600000000 ] - [ -0.0002435900000000, -0.0003595200000000, -0.0005081900000000 ] - [ 0.0001719300000000, 0.0000941500000000, -0.0003287300000000 ] - [ -0.0000245000000000, -0.0000234400000000, 0.0000175900000000 ] - [ -0.0003431600000000, -0.0001668300000000, -0.0000047500000000 ] - [ -0.0001164700000000, -0.0001055400000000, 0.0005309300000000 ] - [ -0.0001297000000000, 0.0000974300000000, 0.0003629000000000 ] - [ 0.0001957400000000, 0.0000945500000000, 0.0003947600000000 ] - [ -0.0000484300000000, 0.0004169500000000, -0.0007891900000000 ] - [ -0.0084845500000000, 0.0032104900000000, -0.0066613300000000 ] - [ 0.0001050600000000, -0.0002549700000000, -0.0003625400000000 ] - [ 0.0008781900000000, -0.0007725500000000, -0.0024783800000000 ] - [ 0.0005380100000000, 0.0006376400000000, -0.0010015600000000 ] - [ -0.0006979100000000, -0.0014902700000000, -0.0015858000000000 ] - [ -0.0011239100000000, 0.0003187200000000, 0.0002594600000000 ] - [ 0.0010472100000000, 0.0006937200000000, 0.0000865200000000 ] - [ 0.0004220100000000, -0.0008313600000000, -0.0000353200000000 ] - [ 0.0004887700000000, -0.0003516200000000, -0.0005363900000000 ] - [ -0.0010217400000000, 0.0007310100000000, 0.0004403700000000 ] - [ -0.0011121500000000, 0.0003533800000000, -0.0003381100000000 ] - [ -0.0108132200000000, -0.0176754100000000, -0.0286641300000000 ] - [ -0.0001276600000000, -0.0000151000000000, -0.0011261600000000 ] - [ 0.0002945400000000, 0.0002142700000000, -0.0001492500000000 ] - [ 0.0003276400000000, 0.0003666500000000, -0.0004845500000000 ] - [ 0.0002894500000000, 0.0003790400000000, 0.0001289500000000 ] - [ -0.0020848300000000, -0.0022400000000000, -0.0004816100000000 ] - [ -0.0000004200000000, 0.0000024300000000, 0.0000917100000000 ] - [ 0.0001584000000000, 0.0000285300000000, 0.0002280400000000 ] - [ 0.0000317900000000, -0.0004228300000000, 0.0007802500000000 ] - [ -0.0000150100000000, 0.0001011200000000, 0.0007808900000000 ] - [ 0.0002292200000000, 0.0004841400000000, 0.0007976800000000 ] - [ -0.0000220000000000, 0.0002376800000000, -0.0003708600000000 ] - [ 0.0002137300000000, -0.0001038400000000, -0.0003681200000000 ] - [ -0.0001952500000000, -0.0001356800000000, -0.0003701700000000 ] - [ 0.0003442100000000, -0.0003506300000000, 0.0002979900000000 ] - [ -0.0004969000000000, -0.0001192400000000, 0.0003091300000000 ] - [ 0.0001374700000000, 0.0004614400000000, 0.0002780300000000 ] - [ -0.0002671400000000, 0.0002621100000000, 0.0000321000000000 ] - [ 0.0003483000000000, 0.0000906400000000, 0.0000526900000000 ] - [ -0.0001089700000000, -0.0003164800000000, 0.0000873400000000 ] - [ 0.0000503300000000, 0.0001676500000000, -0.0000938600000000 ] - [ 0.0001190600000000, -0.0001273100000000, -0.0000928700000000 ] - [ -0.0001658000000000, -0.0000351000000000, -0.0000961800000000 ] - [ -0.0003746000000000, -0.0001774400000000, 0.0003382200000000 ] - [ -0.0002865400000000, 0.0001438500000000, 0.0002521300000000 ] - [ -0.0000346300000000, 0.0002087000000000, 0.0011777800000000 ] - [ -0.0000758800000000, -0.0002147900000000, 0.0004865600000000 ] - [ -0.0001182700000000, 0.0001666500000000, 0.0004861800000000 ] - [ 0.0002028200000000, 0.0000730400000000, 0.0004744500000000 ] - [ 0.0000336300000000, 0.0001663000000000, -0.0000640100000000 ] - [ 0.0001546400000000, -0.0001121900000000, -0.0000324000000000 ] - [ -0.0001616400000000, -0.0000642500000000, -0.0000735800000000 ] - [ -0.0008737100000000, 0.0003101300000000, 0.0002425800000000 ] - [ 0.0006456200000000, 0.0005418900000000, 0.0003286300000000 ] - [ 0.0003450200000000, -0.0009353800000000, 0.0003403900000000 ] - [ 0.0008397400000000, -0.0002277900000000, 0.0001171100000000 ] - [ -0.0006172800000000, -0.0006100800000000, 0.0001178900000000 ] - [ -0.0002174200000000, 0.0008421800000000, 0.0001172700000000 ] - [ -0.0001165000000000, -0.0003830200000000, 0.0002008000000000 ] - [ -0.0002593300000000, 0.0003078000000000, 0.0002223200000000 ] - [ 0.0003879300000000, 0.0000939200000000, 0.0001968800000000 ] - [ -0.0000461500000000, 0.0003779200000000, 0.0002459900000000 ] - [ 0.0003740200000000, -0.0001698200000000, 0.0001204300000000 ] - [ -0.0003261900000000, -0.0002449800000000, 0.0001617300000000 ] - [ -0.0000514900000000, 0.0001273400000000, 0.0001103900000000 ] - [ 0.0000000900000000, -0.0000035500000000, 0.0002180600000000 ] - [ 0.0001332000000000, -0.0003195200000000, 0.0007818900000000 ] - [ -0.0003406600000000, 0.0000461000000000, 0.0007807700000000 ] - [ 0.0002083500000000, 0.0002764000000000, 0.0007825700000000 ] - [ 0.0001281600000000, 0.0002918200000000, -0.0003107100000000 ] - [ 0.0001969700000000, -0.0000989300000000, -0.0004778600000000 ] - [ -0.0000966400000000, -0.0003218400000000, -0.0003597000000000 ] - [ 0.0003491800000000, -0.0003585800000000, 0.0003088600000000 ] - [ -0.0004903700000000, -0.0001243800000000, 0.0003021600000000 ] - [ 0.0001488600000000, 0.0004616400000000, 0.0002913200000000 ] - [ -0.0002619200000000, 0.0002561000000000, 0.0000688100000000 ] - [ 0.0003671900000000, 0.0000910300000000, 0.0000524300000000 ] - [ -0.0001073800000000, -0.0003546500000000, 0.0000481000000000 ] - [ 0.0001106000000000, 0.0003875800000000, -0.0000757600000000 ] - [ 0.0000390900000000, -0.0002085000000000, -0.0001412100000000 ] - [ -0.0001149500000000, -0.0002646000000000, -0.0001637000000000 ] - [ -0.0000888200000000, -0.0002234700000000, 0.0004731600000000 ] - [ -0.0001471900000000, 0.0001893200000000, 0.0004673800000000 ] - [ 0.0002334600000000, 0.0000270300000000, 0.0004703500000000 ] - [ -0.0000786800000000, -0.0002324600000000, 0.0004796300000000 ] - [ -0.0001514200000000, 0.0001935500000000, 0.0004647400000000 ] - [ 0.0002303300000000, 0.0000603900000000, 0.0005020900000000 ] - [ 0.0000585600000000, 0.0001988000000000, -0.0000491900000000 ] - [ 0.0001341800000000, -0.0001434200000000, -0.0000715900000000 ] - [ -0.0001907800000000, -0.0000588800000000, -0.0000473100000000 ] - [ -0.0008651300000000, 0.0002435400000000, 0.0003340900000000 ] - [ 0.0006431900000000, 0.0006235800000000, 0.0003323500000000 ] - [ 0.0002210800000000, -0.0008677600000000, 0.0003278400000000 ] - [ 0.0008086000000000, -0.0002240300000000, 0.0001906200000000 ] - [ -0.0006642900000000, -0.0005910600000000, 0.0001132300000000 ] - [ -0.0002548800000000, 0.0008949100000000, 0.0000266400000000 ] - [ -0.0001017200000000, -0.0003548200000000, 0.0001851300000000 ] - [ -0.0002796600000000, 0.0002927700000000, 0.0001862300000000 ] - [ 0.0003701800000000, 0.0000503000000000, 0.0003366400000000 ] - [ -0.0000515800000000, 0.0003744200000000, 0.0001902700000000 ] - [ 0.0003548800000000, -0.0001477100000000, 0.0001891100000000 ] - [ -0.0003001000000000, -0.0002375200000000, 0.0001967900000000 ] - [ -0.0000978000000000, 0.0001029500000000, -0.0003806400000000 ] - [ -0.0004964900000000, 0.0004239000000000, -0.0004966900000000 ] - [ -0.0003062200000000, -0.0004996700000000, -0.0002588900000000 ] - [ 0.0001015000000000, 0.0000635600000000, 0.0004771800000000 ] - [ -0.0002789900000000, -0.0006140800000000, -0.0007574900000000 ] - [ 0.0007927400000000, 0.0002378000000000, -0.0006887700000000 ] - [ -0.0045138600000000, -0.0259042000000000, 0.0970874300000000 ] - [ -0.0000744100000000, 0.0002855500000000, 0.0001869400000000 ] - [ -0.0001463200000000, 0.0002572800000000, 0.0001895200000000 ] - [ -0.0003894800000000, 0.0001109900000000, 0.0007346400000000 ] - [ 0.0017180300000000, -0.0002362500000000, 0.0063004100000000 ] - [ 0.0041820200000000, 0.0054317600000000, 0.0063002700000000 ] - [ -0.0006812100000000, 0.0001786100000000, -0.0008128400000000 ] - [ -0.0002268000000000, 0.0006138400000000, -0.0001132900000000 ] - [ 0.0000512700000000, -0.0013949300000000, -0.0014232500000000 ] - [ 0.0012389100000000, -0.0002341100000000, -0.0000449300000000 ] - [ 0.0037932500000000, -0.0000718500000000, -0.0045916700000000 ] - [ 0.0006219100000000, 0.0013834300000000, 0.0005424600000000 ] - [ 0.0008228800000000, 0.0013007800000000, 0.0017824500000000 ] - [ -0.0006662700000000, 0.0002539800000000, 0.0007680500000000 ] - [ -0.0028323500000000, -0.0015646600000000, -0.0010520100000000 ] - [ 0.0000551600000000, 0.0002351800000000, 0.0010325300000000 ] - [ 0.0005699900000000, -0.0064292000000000, 0.0048832200000000 ] - [ 0.0019384000000000, -0.0018144600000000, 0.0045362500000000 ] - [ -0.0001932700000000, -0.0004597700000000, -0.0004643300000000 ] - [ 0.0001460800000000, 0.0005153200000000, -0.0001916600000000 ] - [ -0.0004766300000000, 0.0007350400000000, -0.0006479000000000 ] - [ 0.0000396800000000, -0.0000120700000000, -0.0001334800000000 ] - [ -0.0000239000000000, -0.0000315200000000, -0.0001367600000000 ] - [ -0.0000170100000000, 0.0000423800000000, -0.0001363600000000 ] - [ 0.0000042700000000, -0.0003400600000000, -0.0004158700000000 ] - [ -0.0003010500000000, 0.0001156400000000, -0.0004435900000000 ] - [ 0.0003344300000000, 0.0001995100000000, -0.0004084800000000 ] - [ -0.0000129900000000, 0.0002871200000000, -0.0001521100000000 ] - [ 0.0002546700000000, -0.0001529600000000, -0.0000925700000000 ] - [ -0.0002496500000000, -0.0001655800000000, -0.0000915300000000 ] - [ -0.0006807800000000, -0.0001573400000000, -0.0005617400000000 ] - [ -0.0001750100000000, 0.0006617200000000, -0.0007530500000000 ] - [ 0.0006131700000000, -0.0005305500000000, -0.0002964600000000 ] - [ 0.0006202200000000, 0.0002983700000000, -0.0000356700000000 ] - [ -0.0000499300000000, -0.0006785200000000, -0.0000340700000000 ] - [ -0.0005704400000000, 0.0003709700000000, -0.0000435400000000 ] - [ 0.0001481100000000, 0.0002764300000000, -0.0004735600000000 ] - [ 0.0001650500000000, -0.0002153400000000, -0.0004827600000000 ] - [ -0.0004330300000000, -0.0000220000000000, -0.0005106400000000 ] - [ -0.0002171700000000, -0.0002759600000000, -0.0001978700000000 ] - [ -0.0001240800000000, 0.0003300900000000, -0.0002030000000000 ] - [ 0.0003313900000000, -0.0000718300000000, -0.0002055700000000 ] - [ 0.0000047000000000, 0.0000323300000000, -0.0004248800000000 ] - [ 0.0000301900000000, -0.0000202100000000, -0.0004194700000000 ] - [ -0.0000316300000000, -0.0000276400000000, -0.0004206800000000 ] - [ 0.0002628500000000, 0.0001054600000000, -0.0004353600000000 ] - [ -0.0003217800000000, -0.0002537500000000, -0.0000842300000000 ] - [ 0.0001472300000000, 0.0000695400000000, -0.0000241200000000 ] - [ -0.0000673700000000, -0.0004158300000000, -0.0004049000000000 ] - [ -0.0003111100000000, 0.0002221600000000, -0.0003968700000000 ] - [ 0.0004335900000000, 0.0001564700000000, -0.0004344800000000 ] - [ -0.0000232500000000, 0.0004505900000000, -0.0000522300000000 ] - [ 0.0003882000000000, -0.0001800300000000, -0.0000626800000000 ] - [ -0.0003912100000000, -0.0002412900000000, -0.0000621400000000 ] - [ -0.0006334600000000, 0.0000203200000000, -0.0004959500000000 ] - [ 0.0003294500000000, 0.0005401300000000, -0.0004923700000000 ] - [ 0.0003016000000000, -0.0005549700000000, -0.0004937300000000 ] - [ 0.0007772600000000, 0.0001271400000000, -0.0001858500000000 ] - [ -0.0001327400000000, -0.0006621000000000, 0.0000937500000000 ] - [ -0.0004554100000000, 0.0003634600000000, 0.0000215200000000 ] - [ 0.0001722400000000, 0.0002389000000000, -0.0005463600000000 ] - [ 0.0001118900000000, -0.0002553500000000, -0.0005424200000000 ] - [ -0.0002911000000000, 0.0000282800000000, -0.0005280800000000 ] - [ -0.0002488800000000, -0.0001190100000000, -0.0001979200000000 ] - [ -0.0000185600000000, 0.0002555400000000, -0.0001833300000000 ] - [ 0.0002687300000000, -0.0001646000000000, -0.0001129800000000 ]- atom: 139 displacement: [ 0.0100000000000000, 0.0000000000216584, 0.0000000000000000 ] forces: - [ -0.0000434200000000, -0.0001882800000000, -0.0004837300000000 ] - [ -0.0001480700000000, -0.0003124000000000, 0.0002854500000000 ] - [ 0.0011659100000000, 0.0004029700000000, -0.0002707900000000 ] - [ -0.0001337000000000, -0.0000868400000000, 0.0000784500000000 ] - [ 0.0000050200000000, 0.0000007700000000, -0.0005174200000000 ] - [ 0.0000057400000000, 0.0000036000000000, 0.0005250300000000 ] - [ -0.0000045700000000, 0.0000021100000000, -0.0001076100000000 ] - [ 0.0000001900000000, -0.0000010700000000, 0.0001167300000000 ] - [ -0.0004725300000000, 0.0006674800000000, -0.0008292500000000 ] - [ -0.0000188100000000, 0.0000108600000000, 0.0005230100000000 ] - [ 0.0000034200000000, -0.0000189000000000, -0.0001010700000000 ] - [ 0.0003148600000000, 0.0000529800000000, 0.0002228400000000 ] - [ -0.0001961100000000, -0.0000870300000000, -0.0000203600000000 ] - [ 0.0041711600000000, 0.0014132300000000, 0.0015580900000000 ] - [ -0.0022089200000000, 0.0007182600000000, -0.0006076200000000 ] - [ -0.0008208600000000, -0.0007624700000000, 0.0001630000000000 ] - [ -0.0006039700000000, 0.0010467900000000, 0.0006303700000000 ] - [ 0.0000772600000000, 0.0002213500000000, -0.0004886500000000 ] - [ 0.0002960500000000, -0.0000005400000000, -0.0006101300000000 ] - [ -0.0002368900000000, -0.0002513100000000, -0.0005821200000000 ] - [ 0.0005445600000000, 0.0003430500000000, -0.0014871400000000 ] - [ -0.0004962000000000, 0.0002022200000000, 0.0002755400000000 ] - [ 0.0000166800000000, 0.0001295300000000, 0.0002862100000000 ] - [ -0.0006872000000000, 0.0003249700000000, -0.0002613200000000 ] - [ 0.0012086100000000, 0.0003655000000000, -0.0003273400000000 ] - [ -0.0002888900000000, 0.0005106500000000, -0.0000316500000000 ] - [ 0.0000887700000000, 0.0002117900000000, -0.0003384900000000 ] - [ 0.0001114600000000, -0.0001310500000000, -0.0002719200000000 ] - [ -0.0002141500000000, -0.0000479400000000, -0.0002853200000000 ] - [ -0.0003684800000000, -0.0001310400000000, 0.0002010500000000 ] - [ 0.0012585800000000, -0.0004088000000000, -0.0007222700000000 ] - [ 0.0003558400000000, 0.0005547700000000, 0.0003714300000000 ] - [ -0.0008013400000000, 0.0006352200000000, 0.0019996700000000 ] - [ -0.0001431900000000, 0.0001276700000000, 0.0002706300000000 ] - [ -0.0003248200000000, 0.0001072200000000, -0.0001992700000000 ] - [ 0.0011750000000000, -0.0000909500000000, 0.0010054900000000 ] - [ 0.0000618100000000, -0.0001764900000000, -0.0002875000000000 ] - [ -0.0006864600000000, -0.0007930700000000, -0.0006469800000000 ] - [ -0.0019580100000000, -0.0005504000000000, 0.0001970000000000 ] - [ 0.0466063000000000, 0.0151899600000000, -0.0083910500000000 ] - [ 0.0003377500000000, -0.0015343400000000, 0.0005113900000000 ] - [ 0.0007790000000000, -0.0002797000000000, -0.0002499200000000 ] - [ -0.0005840100000000, -0.0005996700000000, 0.0001397800000000 ] - [ -0.0002598900000000, 0.0008163000000000, -0.0001197800000000 ] - [ -0.0000808300000000, -0.0005314400000000, 0.0001501300000000 ] - [ -0.0005014700000000, 0.0002320700000000, -0.0001607200000000 ] - [ 0.0000519300000000, 0.0001530000000000, 0.0001194100000000 ] - [ 0.0004212900000000, 0.0020659800000000, 0.0008615600000000 ] - [ 0.0007283300000000, 0.0000126900000000, 0.0000636100000000 ] - [ 0.0123687600000000, -0.0128462500000000, 0.0107686800000000 ] - [ 0.0000043200000000, -0.0000017500000000, -0.0000813400000000 ] - [ 0.0000292300000000, 0.0000309900000000, 0.0000560900000000 ] - [ 0.0000718400000000, -0.0002766200000000, 0.0005823900000000 ] - [ -0.0002588900000000, 0.0000488800000000, 0.0005550100000000 ] - [ 0.0002415800000000, 0.0002223200000000, 0.0006066800000000 ] - [ -0.0000857700000000, 0.0002865100000000, -0.0005939300000000 ] - [ 0.0002904400000000, -0.0000785000000000, -0.0005925800000000 ] - [ -0.0002056100000000, -0.0002057200000000, -0.0005906200000000 ] - [ 0.0002922600000000, -0.0003064700000000, 0.0001193300000000 ] - [ -0.0004108700000000, -0.0000995300000000, 0.0001200500000000 ] - [ 0.0001165500000000, 0.0004051000000000, 0.0001114400000000 ] - [ -0.0002983200000000, 0.0003113000000000, -0.0001351900000000 ] - [ 0.0004133100000000, 0.0000978200000000, -0.0001307500000000 ] - [ -0.0001183200000000, -0.0004121700000000, -0.0001310800000000 ] - [ 0.0000673000000000, 0.0001866900000000, -0.0003014500000000 ] - [ 0.0001289800000000, -0.0001575600000000, -0.0002936200000000 ] - [ -0.0002030200000000, -0.0000202100000000, -0.0002744300000000 ] - [ -0.0001274800000000, -0.0001938400000000, 0.0002869900000000 ] - [ -0.0001827000000000, 0.0001342100000000, 0.0002761800000000 ] - [ 0.0001890600000000, 0.0000088300000000, 0.0003092700000000 ] - [ -0.0000465300000000, -0.0001905700000000, 0.0002604900000000 ] - [ -0.0001364100000000, 0.0001341300000000, 0.0002596800000000 ] - [ 0.0001850500000000, 0.0000610500000000, 0.0002588600000000 ] - [ 0.0000511900000000, 0.0001911300000000, -0.0002779600000000 ] - [ 0.0001457800000000, -0.0001365500000000, -0.0002738500000000 ] - [ -0.0001866100000000, -0.0000512200000000, -0.0002784800000000 ] - [ -0.0008651400000000, 0.0002615500000000, 0.0000892800000000 ] - [ 0.0006310300000000, 0.0006194900000000, 0.0000965700000000 ] - [ 0.0002502000000000, -0.0008746600000000, 0.0001086000000000 ] - [ 0.0008657600000000, -0.0002355300000000, -0.0001174100000000 ] - [ -0.0006332900000000, -0.0006275800000000, -0.0001137500000000 ] - [ -0.0002233000000000, 0.0008617800000000, -0.0001134300000000 ] - [ -0.0000286700000000, -0.0003932700000000, -0.0000026200000000 ] - [ -0.0003221700000000, 0.0002214200000000, -0.0000029400000000 ] - [ 0.0003581800000000, 0.0001744900000000, -0.0000055200000000 ] - [ 0.0000402200000000, 0.0003890200000000, -0.0000111100000000 ] - [ 0.0003123800000000, -0.0002300500000000, -0.0000519800000000 ] - [ -0.0003603500000000, -0.0001668700000000, -0.0000082000000000 ] - [ 0.0000224700000000, -0.0000081900000000, -0.0002957700000000 ] - [ -0.0000222000000000, -0.0000079200000000, 0.0000525600000000 ] - [ 0.0000907300000000, -0.0002642200000000, 0.0005795100000000 ] - [ -0.0002654500000000, 0.0000766000000000, 0.0005607100000000 ] - [ 0.0001997700000000, 0.0001879700000000, 0.0005738900000000 ] - [ -0.0002788500000000, 0.0003775100000000, -0.0004926800000000 ] - [ -0.0005652500000000, -0.0003894700000000, -0.0003506200000000 ] - [ -0.0008748600000000, -0.0010360300000000, -0.0021458700000000 ] - [ 0.0002575700000000, -0.0003536100000000, 0.0001040100000000 ] - [ -0.0004915300000000, -0.0001916400000000, 0.0002390000000000 ] - [ 0.0001464600000000, 0.0003983300000000, 0.0001533600000000 ] - [ -0.0002391600000000, 0.0002883000000000, -0.0001203200000000 ] - [ 0.0004791900000000, 0.0001552300000000, -0.0001904100000000 ] - [ -0.0001524300000000, -0.0004682100000000, -0.0000997800000000 ] - [ 0.0001465800000000, -0.0004810900000000, -0.0004612500000000 ] - [ 0.0143927300000000, 0.0001854400000000, -0.0254965000000000 ] - [ -0.0002358100000000, 0.0019479100000000, -0.0014275500000000 ] - [ -0.0000653800000000, -0.0001984000000000, 0.0002711700000000 ] - [ -0.0001336400000000, 0.0001611400000000, 0.0002727200000000 ] - [ 0.0001986100000000, 0.0000263500000000, 0.0002781900000000 ] - [ -0.0000368300000000, -0.0001061700000000, 0.0003472300000000 ] - [ -0.0001962900000000, 0.0001341500000000, 0.0001238500000000 ] - [ 0.0002922100000000, 0.0001241100000000, 0.0002423900000000 ] - [ 0.0000383400000000, 0.0003193100000000, -0.0002143400000000 ] - [ -0.0000303000000000, -0.0002632300000000, -0.0003126100000000 ] - [ -0.0000206500000000, -0.0001255300000000, -0.0002855300000000 ] - [ -0.0008292400000000, 0.0002302600000000, 0.0000693600000000 ] - [ 0.0006186800000000, 0.0006135500000000, 0.0001144900000000 ] - [ 0.0001956800000000, -0.0008630400000000, 0.0000956400000000 ] - [ 0.0010179000000000, -0.0005049100000000, -0.0004080700000000 ] - [ -0.0004030300000000, -0.0003868900000000, 0.0000434800000000 ] - [ -0.0004728500000000, 0.0009215000000000, -0.0004059000000000 ] - [ -0.0000599700000000, -0.0000373600000000, 0.0000165400000000 ] - [ -0.0004232700000000, 0.0001853900000000, -0.0001414700000000 ] - [ 0.0005881300000000, 0.0005634500000000, -0.0001475500000000 ] - [ -0.0000584200000000, 0.0003823700000000, 0.0001089800000000 ] - [ 0.0002801000000000, -0.0002459900000000, -0.0000557600000000 ] - [ -0.0003369200000000, -0.0001564300000000, -0.0000090200000000 ] - [ 0.0064747300000000, -0.0006160600000000, -0.0031728200000000 ] - [ 0.0056025500000000, -0.0035939600000000, 0.0063807300000000 ] - [ 0.0006327400000000, 0.0003273200000000, 0.0004423000000000 ] - [ 0.0000518600000000, 0.0000424500000000, 0.0002514000000000 ] - [ -0.0001859900000000, 0.0000806200000000, 0.0000667500000000 ] - [ 0.0000767800000000, 0.0000492800000000, 0.0001532000000000 ] - [ 0.0003507900000000, -0.0004751500000000, -0.0001613900000000 ] - [ 0.0006243000000000, -0.0006341900000000, 0.0003779600000000 ] - [ 0.0009164000000000, -0.0008499000000000, -0.0004275500000000 ] - [ -0.0003830400000000, -0.0006389000000000, -0.0004747900000000 ] - [ 0.0007059900000000, 0.0003128300000000, -0.0001223900000000 ] - [ -0.0059860100000000, 0.0006835900000000, 0.0025833700000000 ] - [ -0.0878979500000000, 0.0001727300000000, 0.0228609000000000 ] - [ -0.0021208300000000, -0.0011032200000000, -0.0023921500000000 ] - [ 0.0006774200000000, 0.0027428700000000, 0.0006355300000000 ] - [ 0.0007328400000000, 0.0000331900000000, 0.0001055700000000 ] - [ -0.0002300800000000, -0.0005045000000000, 0.0001665200000000 ] - [ -0.0000659200000000, 0.0006045000000000, 0.0002917200000000 ] - [ 0.0047370700000000, 0.0018185900000000, 0.0030386800000000 ] - [ 0.0016140900000000, -0.0060108700000000, -0.0082172300000000 ] - [ 0.0000903900000000, 0.0004792600000000, -0.0002467100000000 ] - [ 0.0001408200000000, 0.0000527900000000, 0.0006954500000000 ] - [ -0.0004244000000000, 0.0005154400000000, -0.0006606100000000 ] - [ 0.0005544900000000, -0.0000257300000000, 0.0001539000000000 ] - [ -0.0000633600000000, -0.0001042900000000, -0.0001769000000000 ] - [ -0.0000244600000000, 0.0000467800000000, -0.0001295000000000 ] - [ -0.0000659900000000, 0.0000883500000000, -0.0001007500000000 ] - [ 0.0000140800000000, 0.0000293400000000, 0.0001631500000000 ] - [ 0.0000369300000000, -0.0000385100000000, 0.0001488600000000 ] - [ -0.0000617100000000, 0.0000072400000000, 0.0001534800000000 ] - [ 0.0000009100000000, -0.0003114200000000, -0.0001410400000000 ] - [ -0.0002751200000000, 0.0001525900000000, -0.0001453900000000 ] - [ 0.0002733100000000, 0.0001724500000000, -0.0001400700000000 ] - [ -0.0000002800000000, 0.0003243600000000, 0.0001600400000000 ] - [ 0.0002862400000000, -0.0001696000000000, 0.0001723100000000 ] - [ -0.0002671300000000, -0.0001759700000000, 0.0001629400000000 ] - [ -0.0006170400000000, -0.0003023500000000, -0.0002739300000000 ] - [ 0.0000354300000000, 0.0006865200000000, -0.0002420900000000 ] - [ 0.0005889100000000, -0.0004536300000000, -0.0001599600000000 ] - [ 0.0006251400000000, 0.0002946300000000, 0.0002629700000000 ] - [ -0.0000665100000000, -0.0006813700000000, 0.0002561500000000 ] - [ -0.0005670800000000, 0.0003976900000000, 0.0002613200000000 ] - [ 0.0001893900000000, 0.0002765600000000, -0.0001332500000000 ] - [ 0.0001452800000000, -0.0003068300000000, -0.0001369600000000 ] - [ -0.0003666600000000, 0.0000230200000000, -0.0001329300000000 ] - [ -0.0001859300000000, -0.0002931100000000, 0.0001638400000000 ] - [ -0.0001557000000000, 0.0003087100000000, 0.0001626700000000 ] - [ 0.0003412100000000, -0.0000193900000000, 0.0001620600000000 ] - [ -0.0000231900000000, 0.0000958400000000, -0.0001330000000000 ] - [ 0.0000842700000000, -0.0000354500000000, -0.0001441300000000 ] - [ -0.0000437900000000, -0.0000683200000000, -0.0001369300000000 ] - [ 0.0005551200000000, 0.0028055900000000, 0.0016344100000000 ] - [ -0.0003997000000000, -0.0012476800000000, -0.0005310000000000 ] - [ 0.0013856600000000, 0.0000177600000000, 0.0012237700000000 ] - [ -0.0000813300000000, -0.0004052000000000, -0.0000892700000000 ] - [ -0.0002638100000000, 0.0002499600000000, -0.0000026200000000 ] - [ 0.0002040200000000, -0.0000056800000000, -0.0002822300000000 ] - [ 0.0002015300000000, 0.0006594300000000, 0.0000640300000000 ] - [ 0.0003668500000000, -0.0001170000000000, 0.0003041400000000 ] - [ -0.0004709400000000, -0.0003590100000000, 0.0002065100000000 ] - [ -0.0006108600000000, 0.0000039500000000, -0.0002010900000000 ] - [ 0.0003819800000000, 0.0005638300000000, -0.0002305400000000 ] - [ 0.0003279700000000, -0.0005189800000000, -0.0001860000000000 ] - [ -0.0003093400000000, -0.0022783100000000, 0.0007225500000000 ] - [ 0.0001643000000000, -0.0011031700000000, 0.0004658700000000 ] - [ -0.0004398500000000, 0.0007572000000000, 0.0004012700000000 ] - [ 0.0001881100000000, 0.0002787700000000, -0.0001506300000000 ] - [ 0.0001009800000000, -0.0003294300000000, -0.0002078100000000 ] - [ -0.0002450600000000, 0.0001646800000000, -0.0001537800000000 ] - [ -0.0007173300000000, -0.0002928300000000, 0.0006064300000000 ] - [ -0.0000226900000000, -0.0001746200000000, -0.0001009200000000 ] - [ 0.0005227000000000, 0.0000523500000000, 0.0004497500000000 ]- atom: 139 displacement: [ -0.0100000000000000, -0.0000000000216584, 0.0000000000000000 ] forces: - [ 0.0000458300000000, 0.0001868700000000, -0.0005637600000000 ] - [ 0.0001482500000000, 0.0003150000000000, 0.0007604500000000 ] - [ -0.0011563900000000, -0.0004000400000000, 0.0000403300000000 ] - [ 0.0001315400000000, 0.0000873600000000, 0.0001475000000000 ] - [ -0.0000043500000000, -0.0000014500000000, -0.0005319000000000 ] - [ -0.0000066400000000, -0.0000026800000000, 0.0005233200000000 ] - [ 0.0000051600000000, -0.0000003600000000, -0.0001197800000000 ] - [ -0.0000010000000000, -0.0000004500000000, 0.0001096600000000 ] - [ 0.0004732500000000, -0.0006674100000000, -0.0002193200000000 ] - [ 0.0000164100000000, -0.0000092000000000, 0.0005235600000000 ] - [ -0.0000013700000000, 0.0000190500000000, -0.0001258100000000 ] - [ -0.0003173900000000, -0.0000553800000000, 0.0000063800000000 ] - [ 0.0001969800000000, 0.0000872600000000, -0.0000940100000000 ] - [ -0.0042060400000000, -0.0015432200000000, -0.0014834600000000 ] - [ 0.0023617000000000, -0.0012875900000000, 0.0017549400000000 ] - [ 0.0002469100000000, 0.0009135200000000, 0.0009874900000000 ] - [ 0.0010177000000000, -0.0006229100000000, 0.0005238600000000 ] - [ -0.0002288100000000, 0.0003220500000000, -0.0006672400000000 ] - [ 0.0002490200000000, -0.0001411400000000, -0.0005448700000000 ] - [ -0.0001576700000000, -0.0001513700000000, -0.0005707700000000 ] - [ 0.0000684100000000, -0.0009742000000000, 0.0017296500000000 ] - [ -0.0003583900000000, -0.0004165500000000, -0.0000355300000000 ] - [ 0.0002240700000000, 0.0007209100000000, -0.0000493300000000 ] - [ 0.0000914000000000, 0.0002937600000000, 0.0000009100000000 ] - [ -0.0003725100000000, -0.0001574200000000, 0.0000611000000000 ] - [ 0.0000471500000000, -0.0013366500000000, -0.0002229700000000 ] - [ 0.0000535000000000, 0.0001861900000000, -0.0002242700000000 ] - [ 0.0001612400000000, -0.0001884900000000, -0.0002903900000000 ] - [ -0.0001922800000000, -0.0000164700000000, -0.0002804600000000 ] - [ 0.0002665800000000, -0.0002572300000000, 0.0003761900000000 ] - [ -0.0015486500000000, 0.0006863800000000, 0.0012946700000000 ] - [ 0.0000219400000000, -0.0004599400000000, 0.0002100100000000 ] - [ 0.0006397900000000, -0.0010548300000000, -0.0014545600000000 ] - [ -0.0001396700000000, 0.0002168100000000, 0.0002697800000000 ] - [ 0.0007681900000000, -0.0000282400000000, 0.0007427100000000 ] - [ -0.0010630200000000, 0.0005225400000000, -0.0015435900000000 ] - [ 0.0002566000000000, -0.0001320800000000, -0.0002485100000000 ] - [ 0.0002632000000000, 0.0006699200000000, 0.0001075900000000 ] - [ 0.0002296400000000, 0.0010377200000000, 0.0000106800000000 ] - [ -0.0474548700000000, -0.0144683000000000, 0.0091142000000000 ] - [ 0.0001024700000000, -0.0001928200000000, -0.0003046200000000 ] - [ 0.0008991300000000, -0.0002021900000000, 0.0000254900000000 ] - [ -0.0006702500000000, -0.0006079300000000, -0.0003636400000000 ] - [ -0.0001629600000000, 0.0008725100000000, -0.0001044800000000 ] - [ 0.0000163400000000, -0.0001969900000000, -0.0001399600000000 ] - [ -0.0000991900000000, 0.0001889900000000, 0.0001730700000000 ] - [ 0.0006164100000000, 0.0001609500000000, -0.0001062600000000 ] - [ -0.0003711200000000, -0.0013202600000000, -0.0008902900000000 ] - [ -0.0000902200000000, -0.0004297600000000, -0.0000857800000000 ] - [ -0.0130012000000000, 0.0122851500000000, -0.0105386700000000 ] - [ -0.0000038000000000, 0.0000020600000000, -0.0000634800000000 ] - [ -0.0000300100000000, -0.0000311500000000, 0.0000881100000000 ] - [ 0.0000829500000000, -0.0002907900000000, 0.0005775600000000 ] - [ -0.0003087900000000, 0.0001017200000000, 0.0006052900000000 ] - [ 0.0001719800000000, 0.0001962600000000, 0.0005512200000000 ] - [ -0.0000697500000000, 0.0002813200000000, -0.0005668500000000 ] - [ 0.0002760600000000, -0.0000721800000000, -0.0005676800000000 ] - [ -0.0002081200000000, -0.0002131300000000, -0.0005678000000000 ] - [ 0.0002965700000000, -0.0003121800000000, 0.0001299700000000 ] - [ -0.0004171600000000, -0.0000982600000000, 0.0001301300000000 ] - [ 0.0001250300000000, 0.0004132500000000, 0.0001361100000000 ] - [ -0.0002906300000000, 0.0003074200000000, -0.0001146700000000 ] - [ 0.0004143400000000, 0.0001000800000000, -0.0001201500000000 ] - [ -0.0001232300000000, -0.0004061600000000, -0.0001171800000000 ] - [ 0.0000749100000000, 0.0001925800000000, -0.0002667500000000 ] - [ 0.0001285000000000, -0.0001526900000000, -0.0002752600000000 ] - [ -0.0001871900000000, -0.0000346700000000, -0.0002982400000000 ] - [ -0.0000147600000000, -0.0001858400000000, 0.0002809200000000 ] - [ -0.0000744000000000, 0.0001762500000000, 0.0002922900000000 ] - [ 0.0002014600000000, 0.0000464300000000, 0.0002625800000000 ] - [ -0.0000495100000000, -0.0001896000000000, 0.0002747800000000 ] - [ -0.0001445000000000, 0.0001362700000000, 0.0002777200000000 ] - [ 0.0001852500000000, 0.0000505300000000, 0.0002776400000000 ] - [ 0.0000445800000000, 0.0001893100000000, -0.0002578100000000 ] - [ 0.0001351100000000, -0.0001333900000000, -0.0002639400000000 ] - [ -0.0001838300000000, -0.0000600100000000, -0.0002586500000000 ] - [ -0.0008627800000000, 0.0002109800000000, 0.0001186400000000 ] - [ 0.0006379600000000, 0.0006352400000000, 0.0001116300000000 ] - [ 0.0002057900000000, -0.0008497900000000, 0.0000996000000000 ] - [ 0.0008619300000000, -0.0002366200000000, -0.0000908500000000 ] - [ -0.0006358100000000, -0.0006270200000000, -0.0000948000000000 ] - [ -0.0002324600000000, 0.0008630200000000, -0.0000955900000000 ] - [ -0.0000393600000000, -0.0003909300000000, 0.0000108300000000 ] - [ -0.0003247800000000, 0.0002289300000000, 0.0000113700000000 ] - [ 0.0003607700000000, 0.0001634200000000, 0.0000158500000000 ] - [ 0.0000274300000000, 0.0003953600000000, 0.0000023700000000 ] - [ 0.0003345600000000, -0.0002199700000000, 0.0000432200000000 ] - [ -0.0003586600000000, -0.0001709700000000, -0.0000027900000000 ] - [ -0.0000186300000000, 0.0000051700000000, 0.0001473800000000 ] - [ 0.0000213300000000, 0.0000077600000000, 0.0000613200000000 ] - [ 0.0000603100000000, -0.0002790800000000, 0.0005756200000000 ] - [ -0.0002795600000000, 0.0000654300000000, 0.0005938800000000 ] - [ 0.0001943600000000, 0.0002155300000000, 0.0005777600000000 ] - [ 0.0001207000000000, 0.0001956400000000, -0.0006615400000000 ] - [ 0.0011329500000000, 0.0002360000000000, -0.0008018900000000 ] - [ 0.0004624900000000, 0.0006196600000000, 0.0009975000000000 ] - [ 0.0003363000000000, -0.0002654600000000, 0.0001521800000000 ] - [ -0.0003412600000000, -0.0000096500000000, 0.0000197300000000 ] - [ 0.0000943400000000, 0.0004247800000000, 0.0001006200000000 ] - [ -0.0003751200000000, 0.0003436200000000, -0.0001199700000000 ] - [ 0.0003741100000000, 0.0000588500000000, -0.0000510100000000 ] - [ -0.0000876200000000, -0.0003811000000000, -0.0001388400000000 ] - [ -0.0000435800000000, 0.0008665900000000, -0.0001224400000000 ] - [ -0.0141761800000000, -0.0004615500000000, 0.0245552700000000 ] - [ -0.0001400100000000, -0.0020506600000000, 0.0008466100000000 ] - [ -0.0000772200000000, -0.0001991800000000, 0.0002908000000000 ] - [ -0.0001396100000000, 0.0001586600000000, 0.0002888900000000 ] - [ 0.0002079000000000, 0.0000382700000000, 0.0002869700000000 ] - [ -0.0000752400000000, -0.0003265800000000, 0.0001856000000000 ] - [ -0.0001216900000000, 0.0001755900000000, 0.0004124800000000 ] - [ 0.0001314700000000, 0.0000002800000000, 0.0002936000000000 ] - [ 0.0001195200000000, 0.0001011800000000, -0.0003246200000000 ] - [ 0.0003147100000000, -0.0000804700000000, -0.0002281100000000 ] - [ -0.0004167300000000, 0.0000493300000000, -0.0002552200000000 ] - [ -0.0008494900000000, 0.0002516400000000, 0.0001542600000000 ] - [ 0.0006359000000000, 0.0005942100000000, 0.0001092300000000 ] - [ 0.0002270800000000, -0.0008253900000000, 0.0001289200000000 ] - [ 0.0007087400000000, 0.0000164000000000, 0.0001970200000000 ] - [ -0.0008798500000000, -0.0008587000000000, -0.0002525400000000 ] - [ 0.0000304800000000, 0.0008099800000000, 0.0001960800000000 ] - [ 0.0000104600000000, -0.0007159600000000, 0.0000056700000000 ] - [ -0.0002083600000000, 0.0002340400000000, 0.0001645800000000 ] - [ 0.0000961500000000, -0.0002215300000000, 0.0001729200000000 ] - [ 0.0001237500000000, 0.0003457400000000, -0.0001210500000000 ] - [ 0.0003209000000000, -0.0001743600000000, 0.0000437500000000 ] - [ -0.0003320600000000, -0.0001567200000000, -0.0000043400000000 ] - [ -0.0068670200000000, 0.0006597200000000, 0.0029605800000000 ] - [ -0.0053855500000000, 0.0039498500000000, -0.0065668100000000 ] - [ -0.0004532800000000, -0.0007337400000000, -0.0006052400000000 ] - [ -0.0000084900000000, -0.0001962300000000, 0.0000472400000000 ] - [ 0.0000215300000000, -0.0000331200000000, 0.0002264500000000 ] - [ 0.0000377200000000, 0.0000902700000000, 0.0001434600000000 ] - [ -0.0002813400000000, -0.0004988800000000, -0.0002523700000000 ] - [ -0.0014931600000000, 0.0010811700000000, -0.0008020400000000 ] - [ -0.0000920000000000, 0.0013686400000000, 0.0000121300000000 ] - [ 0.0005233900000000, 0.0013962100000000, 0.0007591300000000 ] - [ -0.0001329900000000, -0.0007829800000000, 0.0004033300000000 ] - [ 0.0052773600000000, -0.0009314100000000, -0.0022967700000000 ] - [ 0.0888334600000000, 0.0003434900000000, -0.0236474300000000 ] - [ 0.0024866400000000, 0.0023786300000000, 0.0018566100000000 ] - [ 0.0002326800000000, -0.0036572400000000, -0.0011712300000000 ] - [ 0.0005097500000000, -0.0000454200000000, 0.0003181200000000 ] - [ -0.0003990700000000, -0.0005621300000000, 0.0002590700000000 ] - [ -0.0005461300000000, 0.0004826300000000, 0.0001307900000000 ] - [ -0.0043261500000000, -0.0015115900000000, -0.0033667900000000 ] - [ -0.0015682800000000, 0.0055078200000000, 0.0078639000000000 ] - [ -0.0005656100000000, -0.0003083000000000, -0.0001281600000000 ] - [ -0.0005574900000000, -0.0004833300000000, -0.0003161100000000 ] - [ 0.0002647300000000, 0.0000400800000000, 0.0010429200000000 ] - [ 0.0000090000000000, -0.0001225300000000, 0.0002291400000000 ] - [ 0.0000228100000000, 0.0000273000000000, -0.0001095100000000 ] - [ -0.0000290700000000, 0.0000254700000000, -0.0001522500000000 ] - [ 0.0001557700000000, -0.0000900000000000, -0.0001842400000000 ] - [ 0.0000263200000000, 0.0000477100000000, 0.0001222200000000 ] - [ 0.0000160800000000, -0.0000333700000000, 0.0001314100000000 ] - [ -0.0000279600000000, -0.0000056400000000, 0.0001299800000000 ] - [ 0.0000012900000000, -0.0003299600000000, -0.0001642700000000 ] - [ -0.0002784700000000, 0.0001529800000000, -0.0001595500000000 ] - [ 0.0002685900000000, 0.0001788000000000, -0.0001665300000000 ] - [ -0.0000022700000000, 0.0003172700000000, 0.0001442300000000 ] - [ 0.0002668700000000, -0.0001348900000000, 0.0001310200000000 ] - [ -0.0002751400000000, -0.0001748300000000, 0.0001424700000000 ] - [ -0.0006384200000000, -0.0002826700000000, -0.0002213100000000 ] - [ 0.0000885600000000, 0.0006794400000000, -0.0002552600000000 ] - [ 0.0005428600000000, -0.0003404600000000, -0.0003339300000000 ] - [ 0.0006300300000000, 0.0002907200000000, 0.0002309200000000 ] - [ -0.0000573500000000, -0.0006845200000000, 0.0002399600000000 ] - [ -0.0005648600000000, 0.0003965900000000, 0.0002310100000000 ] - [ 0.0001912500000000, 0.0003005900000000, -0.0001621200000000 ] - [ 0.0001626200000000, -0.0003108100000000, -0.0001592000000000 ] - [ -0.0003238300000000, 0.0000171300000000, -0.0001635200000000 ] - [ -0.0001948900000000, -0.0002838400000000, 0.0001302100000000 ] - [ -0.0001514200000000, 0.0003089800000000, 0.0001319600000000 ] - [ 0.0003494000000000, -0.0000206500000000, 0.0001329000000000 ] - [ -0.0000202400000000, 0.0000583000000000, -0.0001671900000000 ] - [ 0.0000797000000000, -0.0000111100000000, -0.0001508400000000 ] - [ -0.0000708300000000, -0.0000705400000000, -0.0001605100000000 ] - [ -0.0000969400000000, -0.0028757800000000, -0.0014629500000000 ] - [ 0.0001293600000000, 0.0008948200000000, 0.0006906500000000 ] - [ -0.0015592800000000, 0.0003932500000000, -0.0010534000000000 ] - [ -0.0000550300000000, -0.0003482900000000, -0.0001943800000000 ] - [ -0.0003129900000000, 0.0002222200000000, -0.0002804100000000 ] - [ 0.0005046800000000, 0.0002578000000000, -0.0000050300000000 ] - [ -0.0002746700000000, 0.0003148900000000, 0.0003511800000000 ] - [ 0.0004983100000000, -0.0003254000000000, 0.0001112400000000 ] - [ -0.0003521000000000, -0.0001638000000000, 0.0002104900000000 ] - [ -0.0006321000000000, 0.0000083400000000, -0.0002241600000000 ] - [ 0.0002458500000000, 0.0005027600000000, -0.0001961900000000 ] - [ 0.0002839500000000, -0.0005681700000000, -0.0002387300000000 ] - [ 0.0015753600000000, 0.0026103700000000, -0.0001739600000000 ] - [ -0.0005157300000000, -0.0001646200000000, 0.0000754300000000 ] - [ -0.0004860000000000, 0.0001846000000000, 0.0001411300000000 ] - [ 0.0002294600000000, 0.0001499500000000, -0.0002313300000000 ] - [ 0.0000547900000000, -0.0002251300000000, -0.0001761000000000 ] - [ -0.0003194500000000, -0.0000177100000000, -0.0002309200000000 ] - [ 0.0003161300000000, -0.0000309400000000, -0.0002358200000000 ] - [ -0.0000531800000000, 0.0006798800000000, 0.0004734500000000 ] - [ -0.0000497600000000, -0.0002310600000000, -0.0000799200000000 ]- atom: 139 displacement: [ -0.0050000000088145, 0.0086602540327554, 0.0000000000000000 ] forces: - [ 0.0000496400000000, 0.0002583800000000, -0.0005864100000000 ] - [ -0.0000218500000000, 0.0007734300000000, 0.0002690300000000 ] - [ -0.0005572700000000, -0.0001224700000000, 0.0000315600000000 ] - [ 0.0000765800000000, -0.0000620100000000, 0.0001915500000000 ] - [ -0.0000033600000000, -0.0000011100000000, -0.0005347900000000 ] - [ -0.0000003000000000, -0.0000000300000000, 0.0005194100000000 ] - [ 0.0000023100000000, -0.0000091200000000, -0.0001215800000000 ] - [ -0.0000013100000000, -0.0000003000000000, 0.0001079800000000 ] - [ 0.0004839600000000, -0.0005557700000000, -0.0006881100000000 ] - [ 0.0000091400000000, -0.0000187000000000, 0.0005221100000000 ] - [ -0.0000055800000000, 0.0000121700000000, -0.0001224100000000 ] - [ -0.0001067300000000, 0.0000153600000000, 0.0000867200000000 ] - [ 0.0001440500000000, -0.0000530300000000, -0.0000281800000000 ] - [ -0.0003170800000000, 0.0212220600000000, 0.0148551900000000 ] - [ 0.0007146200000000, -0.0002604400000000, 0.0006225900000000 ] - [ -0.0007665800000000, 0.0001159000000000, 0.0012106700000000 ] - [ 0.0007433200000000, -0.0003906900000000, 0.0004509600000000 ] - [ -0.0001988800000000, 0.0003038000000000, -0.0006109700000000 ] - [ 0.0003128600000000, -0.0001238500000000, -0.0006062300000000 ] - [ -0.0001809400000000, -0.0001579800000000, -0.0005576700000000 ] - [ 0.0002340800000000, -0.0012950400000000, 0.0021163300000000 ] - [ -0.0002324500000000, -0.0002635000000000, -0.0001498100000000 ] - [ 0.0000578200000000, 0.0004844100000000, -0.0001360000000000 ] - [ -0.0001897900000000, 0.0003324400000000, -0.0003320200000000 ] - [ -0.0007990700000000, -0.0003556000000000, 0.0002379200000000 ] - [ 0.0001779200000000, -0.0013453700000000, -0.0001128800000000 ] - [ 0.0000796400000000, 0.0001628400000000, -0.0002443100000000 ] - [ 0.0001652100000000, -0.0001768800000000, -0.0002903700000000 ] - [ -0.0002319900000000, -0.0000369300000000, -0.0002975100000000 ] - [ -0.0001264400000000, -0.0004121200000000, 0.0001924400000000 ] - [ -0.0021948500000000, -0.0011274200000000, -0.0021767900000000 ] - [ 0.0006008900000000, -0.0006601800000000, 0.0003537400000000 ] - [ 0.0001852800000000, -0.0002840900000000, -0.0004217400000000 ] - [ -0.0004786000000000, -0.0003016200000000, 0.0000055700000000 ] - [ 0.0014881000000000, 0.0003660500000000, 0.0012848900000000 ] - [ -0.0008235600000000, 0.0007612500000000, -0.0004511900000000 ] - [ 0.0003435000000000, -0.0009829500000000, -0.0006595200000000 ] - [ 0.0002233000000000, 0.0013432500000000, -0.0000807700000000 ] - [ -0.0013654600000000, 0.0018966200000000, -0.0001026800000000 ] - [ -0.0109478400000000, -0.0031071800000000, 0.0028227300000000 ] - [ 0.0002162600000000, -0.0024120800000000, 0.0002541000000000 ] - [ 0.0008017200000000, -0.0001484000000000, -0.0000086800000000 ] - [ -0.0006818900000000, -0.0005936100000000, -0.0001934700000000 ] - [ -0.0002032100000000, 0.0006674300000000, -0.0002446300000000 ] - [ -0.0000741700000000, -0.0002610200000000, -0.0000097100000000 ] - [ 0.0000631400000000, -0.0001239400000000, 0.0000543600000000 ] - [ 0.0004438100000000, 0.0003487200000000, -0.0000716600000000 ] - [ 0.0010836300000000, -0.0004650500000000, -0.0011676100000000 ] - [ -0.0013387200000000, -0.0014586100000000, -0.0010866800000000 ] - [ -0.0174711500000000, 0.0229258000000000, -0.0192348700000000 ] - [ -0.0000003700000000, 0.0000042100000000, -0.0000621700000000 ] - [ -0.0000357700000000, -0.0000331400000000, 0.0000867400000000 ] - [ 0.0000639100000000, -0.0002727600000000, 0.0005477900000000 ] - [ -0.0003015600000000, 0.0001001900000000, 0.0006205300000000 ] - [ 0.0001823200000000, 0.0002351000000000, 0.0005808800000000 ] - [ -0.0000708300000000, 0.0002812500000000, -0.0005636900000000 ] - [ 0.0002783000000000, -0.0000767500000000, -0.0005669600000000 ] - [ -0.0002057000000000, -0.0002107100000000, -0.0005630400000000 ] - [ 0.0002977600000000, -0.0003133000000000, 0.0001328300000000 ] - [ -0.0004188700000000, -0.0001002400000000, 0.0001315900000000 ] - [ 0.0001276800000000, 0.0004138700000000, 0.0001401500000000 ] - [ -0.0002887600000000, 0.0003058900000000, -0.0001122900000000 ] - [ 0.0004138700000000, 0.0001009400000000, -0.0001171300000000 ] - [ -0.0001239200000000, -0.0004047400000000, -0.0001143300000000 ] - [ 0.0000707100000000, 0.0001915100000000, -0.0002605900000000 ] - [ 0.0001249800000000, -0.0001547200000000, -0.0002682500000000 ] - [ -0.0001878700000000, -0.0000344700000000, -0.0002874500000000 ] - [ -0.0000199900000000, -0.0002197100000000, 0.0002737700000000 ] - [ -0.0000834100000000, 0.0001828600000000, 0.0002969200000000 ] - [ 0.0001849900000000, 0.0000113700000000, 0.0003215300000000 ] - [ -0.0000516900000000, -0.0001908600000000, 0.0002762000000000 ] - [ -0.0001424900000000, 0.0001359000000000, 0.0002834600000000 ] - [ 0.0001851600000000, 0.0000535800000000, 0.0002807500000000 ] - [ 0.0000433000000000, 0.0001894900000000, -0.0002553900000000 ] - [ 0.0001344500000000, -0.0001354300000000, -0.0002565900000000 ] - [ -0.0001823300000000, -0.0000596500000000, -0.0002597700000000 ] - [ -0.0008490900000000, 0.0002139400000000, 0.0001067500000000 ] - [ 0.0006329800000000, 0.0006332500000000, 0.0001065900000000 ] - [ 0.0002135400000000, -0.0008667100000000, 0.0001160300000000 ] - [ 0.0008622700000000, -0.0002342300000000, -0.0000886800000000 ] - [ -0.0006354000000000, -0.0006276000000000, -0.0000921600000000 ] - [ -0.0002299800000000, 0.0008614500000000, -0.0000911100000000 ] - [ -0.0000402300000000, -0.0003908600000000, 0.0000146200000000 ] - [ -0.0003240100000000, 0.0002298100000000, 0.0000125000000000 ] - [ 0.0003616900000000, 0.0001635500000000, 0.0000176500000000 ] - [ 0.0000278700000000, 0.0003892900000000, 0.0000006600000000 ] - [ 0.0003411700000000, -0.0002213500000000, 0.0000543400000000 ] - [ -0.0003584700000000, -0.0001697400000000, -0.0000043000000000 ] - [ 0.0002993600000000, -0.0009445800000000, -0.0005733800000000 ] - [ 0.0000059500000000, 0.0000036000000000, 0.0000696700000000 ] - [ 0.0000734700000000, -0.0002805800000000, 0.0005858400000000 ] - [ -0.0002762500000000, 0.0000677200000000, 0.0005919900000000 ] - [ 0.0001920200000000, 0.0002089100000000, 0.0005815500000000 ] - [ 0.0001800200000000, -0.0000579300000000, -0.0004908900000000 ] - [ 0.0007484800000000, 0.0000416100000000, -0.0007906500000000 ] - [ -0.0003461500000000, 0.0007786100000000, -0.0000278900000000 ] - [ 0.0002774800000000, -0.0003201800000000, 0.0001221100000000 ] - [ -0.0003732300000000, -0.0000272000000000, -0.0000203200000000 ] - [ 0.0000768100000000, 0.0005525400000000, 0.0001897200000000 ] - [ -0.0003626400000000, 0.0003830000000000, -0.0002121400000000 ] - [ 0.0003654300000000, 0.0000891000000000, -0.0000592100000000 ] - [ -0.0001003800000000, -0.0003951500000000, -0.0001234500000000 ] - [ -0.0008417000000000, -0.0005841300000000, 0.0009693000000000 ] - [ -0.0080320900000000, 0.0004686400000000, 0.0121649700000000 ] - [ 0.0019628500000000, -0.0013687100000000, 0.0016257600000000 ] - [ -0.0000755500000000, -0.0001979500000000, 0.0002880200000000 ] - [ -0.0001397900000000, 0.0001610900000000, 0.0002916400000000 ] - [ 0.0002062500000000, 0.0000361400000000, 0.0002892900000000 ] - [ 0.0000428700000000, -0.0003446500000000, 0.0002598400000000 ] - [ -0.0001588500000000, 0.0001023200000000, 0.0003894800000000 ] - [ 0.0001436400000000, 0.0000283600000000, 0.0002669100000000 ] - [ 0.0000931400000000, 0.0001107900000000, -0.0002044200000000 ] - [ 0.0002659700000000, -0.0000938500000000, -0.0001793200000000 ] - [ -0.0003101700000000, 0.0000299700000000, -0.0002530900000000 ] - [ -0.0008546900000000, 0.0002444100000000, 0.0001279200000000 ] - [ 0.0006453700000000, 0.0006012100000000, 0.0001252300000000 ] - [ 0.0002200500000000, -0.0008442900000000, 0.0001289700000000 ] - [ 0.0002501600000000, -0.0003803300000000, -0.0004409300000000 ] - [ -0.0003665000000000, -0.0006085900000000, -0.0000596100000000 ] - [ 0.0000367900000000, 0.0007169400000000, 0.0002394000000000 ] - [ 0.0001081100000000, -0.0005384000000000, 0.0000496700000000 ] - [ -0.0003020700000000, 0.0000781900000000, 0.0000407700000000 ] - [ 0.0002932000000000, 0.0002070400000000, -0.0004438300000000 ] - [ 0.0001060300000000, 0.0003515600000000, -0.0000762200000000 ] - [ 0.0003184400000000, -0.0001783400000000, 0.0000495100000000 ] - [ -0.0003448000000000, -0.0001760200000000, 0.0000276500000000 ] - [ -0.0036425800000000, -0.0001165500000000, 0.0017558000000000 ] - [ -0.0040116900000000, -0.0000916000000000, -0.0022372800000000 ] - [ 0.0001588800000000, 0.0007532400000000, -0.0007552300000000 ] - [ -0.0000063200000000, -0.0002076600000000, 0.0000574800000000 ] - [ 0.0000203000000000, -0.0000135100000000, 0.0001499400000000 ] - [ 0.0000060600000000, 0.0001051000000000, 0.0002066500000000 ] - [ 0.0004634600000000, -0.0000876500000000, -0.0005299200000000 ] - [ -0.0018541000000000, 0.0017838700000000, -0.0012124700000000 ] - [ 0.0000795800000000, 0.0003879300000000, 0.0001933100000000 ] - [ -0.0002256200000000, 0.0016816500000000, 0.0006468400000000 ] - [ 0.0003995500000000, -0.0010067300000000, 0.0013312400000000 ] - [ 0.0054962000000000, 0.0000798800000000, -0.0039629800000000 ] - [ 0.0432065100000000, -0.0430116500000000, -0.0084860700000000 ] - [ -0.0048539000000000, 0.0068912300000000, -0.0013434900000000 ] - [ 0.0077908200000000, 0.0010997500000000, -0.0035380900000000 ] - [ 0.0005990600000000, -0.0000610900000000, 0.0002754400000000 ] - [ -0.0003138100000000, -0.0003346100000000, 0.0001842300000000 ] - [ -0.0003907400000000, 0.0005901400000000, 0.0001549700000000 ] - [ -0.0042285400000000, -0.0057180800000000, -0.0008353900000000 ] - [ -0.0025984300000000, 0.0005925900000000, 0.0036869700000000 ] - [ -0.0000704500000000, 0.0025280500000000, 0.0011160900000000 ] - [ -0.0000561600000000, -0.0010155400000000, -0.0003880900000000 ] - [ 0.0000306900000000, 0.0002787800000000, 0.0005350400000000 ] - [ 0.0001221100000000, 0.0006973400000000, 0.0006263500000000 ] - [ -0.0000370900000000, -0.0000597300000000, -0.0000799300000000 ] - [ -0.0000035200000000, -0.0000041700000000, -0.0001416300000000 ] - [ 0.0001058200000000, -0.0000519100000000, -0.0002327500000000 ] - [ 0.0000225200000000, 0.0000393900000000, 0.0001182500000000 ] - [ 0.0000170700000000, -0.0000346000000000, 0.0001270300000000 ] - [ -0.0000379800000000, 0.0000027900000000, 0.0001290000000000 ] - [ -0.0000001600000000, -0.0003306700000000, -0.0001701000000000 ] - [ -0.0002775600000000, 0.0001500100000000, -0.0001634600000000 ] - [ 0.0002700900000000, 0.0001785600000000, -0.0001676600000000 ] - [ 0.0000019400000000, 0.0003219900000000, 0.0001419400000000 ] - [ 0.0002629900000000, -0.0001297900000000, 0.0001256600000000 ] - [ -0.0002749000000000, -0.0001768100000000, 0.0001394000000000 ] - [ -0.0006342700000000, -0.0002843100000000, -0.0002216100000000 ] - [ 0.0000828400000000, 0.0007064400000000, -0.0002399300000000 ] - [ 0.0005456600000000, -0.0003303700000000, -0.0003437400000000 ] - [ 0.0006298000000000, 0.0002884200000000, 0.0002262600000000 ] - [ -0.0000603900000000, -0.0006842300000000, 0.0002351400000000 ] - [ -0.0005622500000000, 0.0003921100000000, 0.0002330500000000 ] - [ 0.0001920400000000, 0.0002862200000000, -0.0001647200000000 ] - [ 0.0001684900000000, -0.0003068000000000, -0.0001553300000000 ] - [ -0.0003304300000000, 0.0000178900000000, -0.0001766200000000 ] - [ -0.0001940500000000, -0.0002881600000000, 0.0001262200000000 ] - [ -0.0001490300000000, 0.0003079400000000, 0.0001288300000000 ] - [ 0.0003484000000000, -0.0000213800000000, 0.0001264700000000 ] - [ -0.0000140500000000, 0.0000745200000000, -0.0001609700000000 ] - [ 0.0000746100000000, -0.0000117800000000, -0.0001604400000000 ] - [ -0.0000666600000000, -0.0000683400000000, -0.0001646600000000 ] - [ 0.0038750700000000, -0.0020196900000000, -0.0002458600000000 ] - [ -0.0003413000000000, 0.0009189900000000, 0.0002750500000000 ] - [ -0.0008993100000000, 0.0003739500000000, -0.0001769900000000 ] - [ -0.0000992100000000, -0.0004100400000000, -0.0002849000000000 ] - [ -0.0002465200000000, 0.0002675300000000, -0.0002329100000000 ] - [ 0.0002148400000000, 0.0002300000000000, 0.0000939600000000 ] - [ -0.0002207900000000, 0.0003681000000000, 0.0003124700000000 ] - [ 0.0005586100000000, -0.0004077100000000, 0.0001166100000000 ] - [ -0.0003782600000000, -0.0002686600000000, 0.0001649100000000 ] - [ -0.0006345900000000, 0.0000105300000000, -0.0002378600000000 ] - [ 0.0002653600000000, 0.0005161800000000, -0.0002128300000000 ] - [ 0.0003110700000000, -0.0005716600000000, -0.0002360900000000 ] - [ -0.0010030200000000, 0.0006564800000000, 0.0032593900000000 ] - [ -0.0013598400000000, 0.0003485900000000, -0.0002753500000000 ] - [ 0.0003808400000000, 0.0013441200000000, 0.0004099400000000 ] - [ 0.0002630900000000, 0.0001891400000000, -0.0001985900000000 ] - [ 0.0000001900000000, -0.0002458000000000, -0.0002254300000000 ] - [ -0.0002799000000000, 0.0000588400000000, -0.0002404000000000 ] - [ 0.0001206300000000, -0.0001753400000000, 0.0002296100000000 ] - [ -0.0002381700000000, 0.0006650000000000, 0.0001954800000000 ] - [ 0.0001053900000000, 0.0000392300000000, -0.0000540900000000 ]- atom: 139 displacement: [ 0.0050000000088145, -0.0086602540327554, 0.0000000000000000 ] forces: - [ -0.0000470900000000, -0.0002600200000000, -0.0004601200000000 ] - [ 0.0000241100000000, -0.0007747700000000, 0.0007833700000000 ] - [ 0.0005624200000000, 0.0001257700000000, -0.0002599300000000 ] - [ -0.0000794400000000, 0.0000619500000000, 0.0000336300000000 ] - [ 0.0000039000000000, 0.0000001200000000, -0.0005136600000000 ] - [ -0.0000007500000000, 0.0000006300000000, 0.0005279100000000 ] - [ -0.0000018500000000, 0.0000105500000000, -0.0001052600000000 ] - [ 0.0000003700000000, -0.0000015200000000, 0.0001178700000000 ] - [ -0.0004821600000000, 0.0005525800000000, -0.0003591100000000 ] - [ -0.0000115600000000, 0.0000200400000000, 0.0005236400000000 ] - [ 0.0000075400000000, -0.0000123400000000, -0.0001038500000000 ] - [ 0.0001036100000000, -0.0000167000000000, 0.0001431300000000 ] - [ -0.0001435700000000, 0.0000530100000000, -0.0000857900000000 ] - [ 0.0004886200000000, -0.0204367400000000, -0.0142156900000000 ] - [ -0.0005638100000000, -0.0003055200000000, 0.0005217800000000 ] - [ 0.0002022800000000, 0.0000363900000000, -0.0000599300000000 ] - [ -0.0003306200000000, 0.0008076000000000, 0.0006990200000000 ] - [ 0.0000471600000000, 0.0002385200000000, -0.0005438300000000 ] - [ 0.0002312100000000, -0.0000180700000000, -0.0005479000000000 ] - [ -0.0002134600000000, -0.0002443600000000, -0.0005947600000000 ] - [ 0.0003787600000000, 0.0006653400000000, -0.0018717400000000 ] - [ -0.0006214700000000, 0.0000483700000000, 0.0003914400000000 ] - [ 0.0001818000000000, 0.0003641600000000, 0.0003743100000000 ] - [ -0.0004049500000000, 0.0002863200000000, 0.0000740800000000 ] - [ 0.0016312900000000, 0.0005601700000000, -0.0005027600000000 ] - [ -0.0004185700000000, 0.0005172900000000, -0.0001385200000000 ] - [ 0.0000623700000000, 0.0002346800000000, -0.0003181200000000 ] - [ 0.0001073700000000, -0.0001427700000000, -0.0002716100000000 ] - [ -0.0001744300000000, -0.0000279800000000, -0.0002678200000000 ] - [ 0.0000237500000000, 0.0000302000000000, 0.0003846600000000 ] - [ 0.0019395100000000, 0.0014102100000000, 0.0027874500000000 ] - [ -0.0002249100000000, 0.0007522500000000, 0.0002260400000000 ] - [ -0.0003468900000000, -0.0001332100000000, 0.0009659900000000 ] - [ 0.0001964400000000, 0.0006479100000000, 0.0005343800000000 ] - [ -0.0010474000000000, -0.0002890600000000, -0.0007416900000000 ] - [ 0.0009394700000000, -0.0003274800000000, -0.0000808400000000 ] - [ -0.0000235900000000, 0.0006750200000000, 0.0001240500000000 ] - [ -0.0006527800000000, -0.0014659300000000, -0.0004580700000000 ] - [ -0.0003600300000000, -0.0014069300000000, 0.0003129900000000 ] - [ 0.0122233700000000, 0.0042629400000000, -0.0025909800000000 ] - [ 0.0002236100000000, 0.0006905200000000, -0.0000541900000000 ] - [ 0.0008764900000000, -0.0003336900000000, -0.0002151200000000 ] - [ -0.0005731700000000, -0.0006146100000000, -0.0000290200000000 ] - [ -0.0002194500000000, 0.0010221500000000, 0.0000214300000000 ] - [ 0.0000099700000000, -0.0004683400000000, 0.0000200900000000 ] - [ -0.0006637200000000, 0.0005457100000000, -0.0000407600000000 ] - [ 0.0002240100000000, -0.0000348000000000, 0.0000847900000000 ] - [ -0.0010327100000000, 0.0012151700000000, 0.0011415900000000 ] - [ 0.0019760200000000, 0.0010425000000000, 0.0010659600000000 ] - [ 0.0172824400000000, -0.0238050200000000, 0.0200796800000000 ] - [ 0.0000007700000000, -0.0000042100000000, -0.0000821800000000 ] - [ 0.0000348200000000, 0.0000326500000000, 0.0000586600000000 ] - [ 0.0000908000000000, -0.0002945200000000, 0.0006135100000000 ] - [ -0.0002656800000000, 0.0000500300000000, 0.0005412100000000 ] - [ 0.0002307100000000, 0.0001829000000000, 0.0005785000000000 ] - [ -0.0000844700000000, 0.0002856200000000, -0.0005965800000000 ] - [ 0.0002873600000000, -0.0000740800000000, -0.0005928100000000 ] - [ -0.0002076700000000, -0.0002078800000000, -0.0005948600000000 ] - [ 0.0002908400000000, -0.0003051700000000, 0.0001182000000000 ] - [ -0.0004088100000000, -0.0000980800000000, 0.0001201800000000 ] - [ 0.0001133900000000, 0.0004036700000000, 0.0001089800000000 ] - [ -0.0003001800000000, 0.0003117800000000, -0.0001373900000000 ] - [ 0.0004128800000000, 0.0000968200000000, -0.0001336600000000 ] - [ -0.0001171900000000, -0.0004134000000000, -0.0001338800000000 ] - [ 0.0000712200000000, 0.0001873500000000, -0.0003072600000000 ] - [ 0.0001323100000000, -0.0001556700000000, -0.0003002000000000 ] - [ -0.0002022500000000, -0.0000208600000000, -0.0002849100000000 ] - [ -0.0001221700000000, -0.0001599500000000, 0.0002953800000000 ] - [ -0.0001739100000000, 0.0001272300000000, 0.0002728800000000 ] - [ 0.0002054100000000, 0.0000437600000000, 0.0002515900000000 ] - [ -0.0000455700000000, -0.0001896900000000, 0.0002597500000000 ] - [ -0.0001383500000000, 0.0001349600000000, 0.0002544600000000 ] - [ 0.0001856700000000, 0.0000568400000000, 0.0002563800000000 ] - [ 0.0000533500000000, 0.0001906600000000, -0.0002790600000000 ] - [ 0.0001457800000000, -0.0001356700000000, -0.0002798400000000 ] - [ -0.0001886900000000, -0.0000508800000000, -0.0002760800000000 ] - [ -0.0008795600000000, 0.0002585000000000, 0.0001023000000000 ] - [ 0.0006363300000000, 0.0006215100000000, 0.0001026000000000 ] - [ 0.0002423500000000, -0.0008587600000000, 0.0000934000000000 ] - [ 0.0008656600000000, -0.0002384900000000, -0.0001185500000000 ] - [ -0.0006342200000000, -0.0006275100000000, -0.0001154500000000 ] - [ -0.0002262600000000, 0.0008634000000000, -0.0001167900000000 ] - [ -0.0000279400000000, -0.0003939000000000, -0.0000057800000000 ] - [ -0.0003232500000000, 0.0002203700000000, -0.0000034500000000 ] - [ 0.0003574100000000, 0.0001741700000000, -0.0000067500000000 ] - [ 0.0000392600000000, 0.0003951400000000, -0.0000080600000000 ] - [ 0.0003062600000000, -0.0002288600000000, -0.0000615200000000 ] - [ -0.0003607100000000, -0.0001689200000000, -0.0000053300000000 ] - [ -0.0002978400000000, 0.0009503100000000, 0.0004315000000000 ] - [ -0.0000069500000000, -0.0000041400000000, 0.0000454400000000 ] - [ 0.0000772300000000, -0.0002625900000000, 0.0005707100000000 ] - [ -0.0002684200000000, 0.0000738400000000, 0.0005640700000000 ] - [ 0.0002015400000000, 0.0001940700000000, 0.0005716400000000 ] - [ -0.0003377600000000, 0.0006296900000000, -0.0006650100000000 ] - [ -0.0001701400000000, -0.0001912700000000, -0.0003674800000000 ] - [ -0.0000667700000000, -0.0012002400000000, -0.0011260400000000 ] - [ 0.0003170600000000, -0.0002981500000000, 0.0001369000000000 ] - [ -0.0004584600000000, -0.0001744500000000, 0.0002794500000000 ] - [ 0.0001633400000000, 0.0002700400000000, 0.0000662500000000 ] - [ -0.0002519800000000, 0.0002476000000000, -0.0000277000000000 ] - [ 0.0004872000000000, 0.0001249200000000, -0.0001818000000000 ] - [ -0.0001393800000000, -0.0004535100000000, -0.0001153400000000 ] - [ 0.0009396300000000, 0.0009701300000000, -0.0015506400000000 ] - [ 0.0081976400000000, -0.0006435400000000, -0.0126164900000000 ] - [ -0.0023191100000000, 0.0012620500000000, -0.0022019600000000 ] - [ -0.0000671000000000, -0.0002000600000000, 0.0002754600000000 ] - [ -0.0001337400000000, 0.0001583700000000, 0.0002715000000000 ] - [ 0.0002001600000000, 0.0000283100000000, 0.0002773200000000 ] - [ -0.0001561600000000, -0.0000890600000000, 0.0002734800000000 ] - [ -0.0001584300000000, 0.0002090500000000, 0.0001472600000000 ] - [ 0.0002802600000000, 0.0000946200000000, 0.0002700400000000 ] - [ 0.0000652600000000, 0.0003092100000000, -0.0003327400000000 ] - [ 0.0000184300000000, -0.0002500200000000, -0.0003605400000000 ] - [ -0.0001279100000000, -0.0001063000000000, -0.0002863800000000 ] - [ -0.0008246700000000, 0.0002374100000000, 0.0000968200000000 ] - [ 0.0006096100000000, 0.0006064900000000, 0.0000995700000000 ] - [ 0.0002027400000000, -0.0008448600000000, 0.0000964700000000 ] - [ 0.0014816700000000, -0.0001074400000000, 0.0002377100000000 ] - [ -0.0009215400000000, -0.0006367400000000, -0.0001467400000000 ] - [ -0.0004773000000000, 0.0010184900000000, -0.0004488500000000 ] - [ -0.0001578500000000, -0.0002151000000000, -0.0000270300000000 ] - [ -0.0003298400000000, 0.0003419700000000, -0.0000161400000000 ] - [ 0.0003874500000000, 0.0001291300000000, 0.0004739400000000 ] - [ -0.0000408600000000, 0.0003763800000000, 0.0000649800000000 ] - [ 0.0002831700000000, -0.0002419100000000, -0.0000599000000000 ] - [ -0.0003243700000000, -0.0001381200000000, -0.0000394800000000 ] - [ 0.0031854900000000, 0.0001944300000000, -0.0019382700000000 ] - [ 0.0042617800000000, 0.0004180000000000, 0.0020897200000000 ] - [ 0.0000137600000000, -0.0011622600000000, 0.0005927400000000 ] - [ 0.0000498600000000, 0.0000527300000000, 0.0002409800000000 ] - [ -0.0001852800000000, 0.0000611400000000, 0.0001426200000000 ] - [ 0.0001086200000000, 0.0000345700000000, 0.0000896200000000 ] - [ -0.0003932300000000, -0.0008870800000000, 0.0001155300000000 ] - [ 0.0009816700000000, -0.0013392600000000, 0.0007847800000000 ] - [ 0.0007445200000000, 0.0001317300000000, -0.0006095500000000 ] - [ 0.0003656500000000, -0.0009230600000000, -0.0003653600000000 ] - [ 0.0001766000000000, 0.0005368400000000, -0.0010508300000000 ] - [ -0.0062049800000000, -0.0003358100000000, 0.0042493400000000 ] - [ -0.0449769900000000, 0.0423995100000000, 0.0064157000000000 ] - [ 0.0051914700000000, -0.0055603900000000, 0.0008335600000000 ] - [ -0.0068605900000000, -0.0020391000000000, 0.0030003700000000 ] - [ 0.0006442000000000, 0.0000483300000000, 0.0001475100000000 ] - [ -0.0003158800000000, -0.0007330400000000, 0.0002407600000000 ] - [ -0.0002218500000000, 0.0004963200000000, 0.0002662800000000 ] - [ 0.0046291100000000, 0.0060411300000000, 0.0004585100000000 ] - [ 0.0026572500000000, -0.0011185500000000, -0.0040661700000000 ] - [ -0.0004077500000000, -0.0023660500000000, -0.0014894600000000 ] - [ -0.0003590700000000, 0.0005839900000000, 0.0007693200000000 ] - [ -0.0001885700000000, 0.0002769600000000, -0.0001538400000000 ] - [ 0.0004395200000000, -0.0008482400000000, -0.0002426900000000 ] - [ -0.0000035800000000, -0.0000171300000000, -0.0002070400000000 ] - [ -0.0000497400000000, 0.0000760600000000, -0.0001403100000000 ] - [ -0.0000171200000000, 0.0000497000000000, -0.0000525400000000 ] - [ 0.0000182800000000, 0.0000369000000000, 0.0001670300000000 ] - [ 0.0000351300000000, -0.0000377600000000, 0.0001533000000000 ] - [ -0.0000515900000000, -0.0000009300000000, 0.0001543500000000 ] - [ 0.0000022200000000, -0.0003115400000000, -0.0001357600000000 ] - [ -0.0002759300000000, 0.0001550600000000, -0.0001415900000000 ] - [ 0.0002714400000000, 0.0001725300000000, -0.0001390000000000 ] - [ -0.0000045900000000, 0.0003189100000000, 0.0001618600000000 ] - [ 0.0002894400000000, -0.0001747000000000, 0.0001772400000000 ] - [ -0.0002670700000000, -0.0001744000000000, 0.0001655500000000 ] - [ -0.0006219300000000, -0.0003008200000000, -0.0002730900000000 ] - [ 0.0000414800000000, 0.0006596200000000, -0.0002571200000000 ] - [ 0.0005862500000000, -0.0004646100000000, -0.0001497700000000 ] - [ 0.0006256500000000, 0.0002966300000000, 0.0002667900000000 ] - [ -0.0000638100000000, -0.0006822000000000, 0.0002601300000000 ] - [ -0.0005700600000000, 0.0004021300000000, 0.0002583900000000 ] - [ 0.0001883700000000, 0.0002905800000000, -0.0001317400000000 ] - [ 0.0001393200000000, -0.0003109500000000, -0.0001417600000000 ] - [ -0.0003600800000000, 0.0000218600000000, -0.0001208700000000 ] - [ -0.0001869300000000, -0.0002888200000000, 0.0001678100000000 ] - [ -0.0001580600000000, 0.0003093800000000, 0.0001656800000000 ] - [ 0.0003419100000000, -0.0000191700000000, 0.0001684300000000 ] - [ -0.0000297200000000, 0.0000795400000000, -0.0001397600000000 ] - [ 0.0000897600000000, -0.0000349300000000, -0.0001351400000000 ] - [ -0.0000480800000000, -0.0000713300000000, -0.0001333400000000 ] - [ -0.0034494300000000, 0.0019771700000000, 0.0004151500000000 ] - [ 0.0000750400000000, -0.0012680800000000, -0.0001088100000000 ] - [ 0.0007226200000000, 0.0000268400000000, 0.0003487100000000 ] - [ -0.0000373200000000, -0.0003439500000000, 0.0000010000000000 ] - [ -0.0003297200000000, 0.0002033400000000, -0.0000507700000000 ] - [ 0.0004956500000000, 0.0000227100000000, -0.0003817700000000 ] - [ 0.0001470000000000, 0.0006046700000000, 0.0001032500000000 ] - [ 0.0003059100000000, -0.0000348900000000, 0.0002981000000000 ] - [ -0.0004446400000000, -0.0002537400000000, 0.0002510700000000 ] - [ -0.0006089700000000, 0.0000016700000000, -0.0001871900000000 ] - [ 0.0003624800000000, 0.0005503300000000, -0.0002133800000000 ] - [ 0.0003008500000000, -0.0005163800000000, -0.0001882800000000 ] - [ 0.0022907400000000, -0.0003174900000000, -0.0027470800000000 ] - [ 0.0010072200000000, -0.0016180200000000, 0.0008163000000000 ] - [ -0.0013087000000000, -0.0004121100000000, 0.0001299800000000 ] - [ 0.0001540900000000, 0.0002396400000000, -0.0001844600000000 ] - [ 0.0001554200000000, -0.0003086000000000, -0.0001595900000000 ] - [ -0.0002852500000000, 0.0000869400000000, -0.0001450100000000 ] - [ -0.0005199300000000, -0.0001447400000000, 0.0001369200000000 ] - [ 0.0001625500000000, -0.0001599600000000, 0.0001759500000000 ] - [ 0.0003671200000000, -0.0002214100000000, 0.0004249800000000 ]- atom: 139 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000071700000000, -0.0001247000000000, -0.0003774300000000 ] - [ -0.0001836200000000, -0.0002264200000000, -0.0002726800000000 ] - [ -0.0001071800000000, -0.0000480600000000, -0.0005115500000000 ] - [ 0.0000147700000000, 0.0000656800000000, 0.0003102400000000 ] - [ -0.0000033300000000, -0.0000001200000000, -0.0003724200000000 ] - [ -0.0000031300000000, 0.0000007200000000, 0.0006786100000000 ] - [ 0.0000008600000000, 0.0000070200000000, 0.0000298400000000 ] - [ 0.0000002100000000, 0.0000001100000000, 0.0002614700000000 ] - [ 0.0003383700000000, -0.0009699100000000, 0.0002973100000000 ] - [ 0.0000052000000000, -0.0000268100000000, 0.0006823800000000 ] - [ 0.0000126300000000, 0.0000240500000000, 0.0000280600000000 ] - [ -0.0001519100000000, 0.0001821900000000, 0.0001185800000000 ] - [ -0.0000664200000000, 0.0000179200000000, -0.0002280200000000 ] - [ 0.0015629800000000, 0.0161287400000000, 0.0138562600000000 ] - [ 0.0009527600000000, -0.0007723800000000, 0.0019065200000000 ] - [ -0.0008117400000000, 0.0000852000000000, 0.0014447200000000 ] - [ 0.0018897000000000, -0.0003745400000000, 0.0025938300000000 ] - [ -0.0001114400000000, 0.0003411000000000, -0.0008165200000000 ] - [ 0.0003505700000000, -0.0000143900000000, -0.0007868300000000 ] - [ -0.0002473100000000, -0.0002907200000000, -0.0007921900000000 ] - [ 0.0002047800000000, 0.0001737900000000, -0.0006402700000000 ] - [ -0.0003124600000000, -0.0000338200000000, 0.0002200200000000 ] - [ 0.0000646700000000, 0.0003555700000000, 0.0000872200000000 ] - [ -0.0001978700000000, 0.0002722600000000, 0.0001701700000000 ] - [ 0.0012129000000000, 0.0005008500000000, -0.0006380900000000 ] - [ -0.0001702100000000, 0.0002894200000000, -0.0004114800000000 ] - [ 0.0000874200000000, 0.0002428700000000, -0.0004965400000000 ] - [ 0.0001486800000000, -0.0002013200000000, -0.0004901000000000 ] - [ -0.0002259100000000, -0.0000178200000000, -0.0004865800000000 ] - [ -0.0000916600000000, -0.0004886100000000, 0.0010045500000000 ] - [ -0.0016624300000000, -0.0020548400000000, 0.0005679200000000 ] - [ 0.0003377300000000, 0.0000596500000000, 0.0009420000000000 ] - [ 0.0000907200000000, 0.0000011300000000, 0.0007952700000000 ] - [ -0.0000222200000000, 0.0001284300000000, 0.0002788800000000 ] - [ -0.0008497800000000, -0.0000986500000000, -0.0004789800000000 ] - [ 0.0013175700000000, 0.0001538500000000, -0.0008205700000000 ] - [ 0.0000113900000000, -0.0001548800000000, -0.0002209300000000 ] - [ -0.0009265000000000, -0.0006807700000000, -0.0002785000000000 ] - [ -0.0015249700000000, 0.0005673000000000, 0.0027323000000000 ] - [ -0.0095363400000000, -0.0012437800000000, 0.0061702600000000 ] - [ 0.0004521400000000, -0.0026303900000000, 0.0011816000000000 ] - [ 0.0008303800000000, -0.0002621900000000, -0.0003672400000000 ] - [ -0.0004346200000000, -0.0005796700000000, -0.0003542500000000 ] - [ -0.0002334700000000, 0.0008878300000000, -0.0002760000000000 ] - [ 0.0001787200000000, -0.0003566100000000, -0.0001792500000000 ] - [ -0.0005413100000000, 0.0002341700000000, -0.0002046500000000 ] - [ 0.0002007100000000, 0.0001211800000000, -0.0000732600000000 ] - [ 0.0004137300000000, 0.0003464900000000, 0.0001688700000000 ] - [ -0.0004584900000000, -0.0007087200000000, -0.0000283200000000 ] - [ 0.0121890800000000, -0.0185274700000000, 0.0162113600000000 ] - [ -0.0000002200000000, 0.0000033000000000, -0.0002434900000000 ] - [ 0.0000103300000000, 0.0000137200000000, -0.0001071600000000 ] - [ 0.0000300900000000, -0.0002399000000000, 0.0003856400000000 ] - [ -0.0002145600000000, 0.0000909600000000, 0.0003459200000000 ] - [ 0.0002050600000000, 0.0001154900000000, 0.0003546700000000 ] - [ -0.0001322400000000, 0.0003338100000000, -0.0007937800000000 ] - [ 0.0003510400000000, -0.0000475100000000, -0.0007994000000000 ] - [ -0.0002190800000000, -0.0002968800000000, -0.0007990200000000 ] - [ 0.0002439600000000, -0.0002590700000000, -0.0000593100000000 ] - [ -0.0003445500000000, -0.0000813400000000, -0.0000579000000000 ] - [ 0.0001003100000000, 0.0003382800000000, -0.0000649000000000 ] - [ -0.0003460600000000, 0.0003624300000000, -0.0003084400000000 ] - [ 0.0004835700000000, 0.0001132700000000, -0.0003076800000000 ] - [ -0.0001406300000000, -0.0004797700000000, -0.0003082400000000 ] - [ 0.0000937900000000, 0.0002209600000000, -0.0004780600000000 ] - [ 0.0001397400000000, -0.0001908100000000, -0.0004751500000000 ] - [ -0.0002168300000000, -0.0000278200000000, -0.0005154600000000 ] - [ -0.0000757000000000, -0.0001533200000000, 0.0001015300000000 ] - [ -0.0001223100000000, 0.0001084800000000, 0.0001057200000000 ] - [ 0.0001741100000000, 0.0000430000000000, 0.0000716800000000 ] - [ -0.0000232200000000, -0.0001742600000000, 0.0000411500000000 ] - [ -0.0001394900000000, 0.0001076500000000, 0.0000371900000000 ] - [ 0.0001605800000000, 0.0000679600000000, 0.0000410800000000 ] - [ 0.0000728100000000, 0.0002043300000000, -0.0004958100000000 ] - [ 0.0001424500000000, -0.0001607300000000, -0.0005006200000000 ] - [ -0.0002092900000000, -0.0000427900000000, -0.0004950500000000 ] - [ -0.0008454600000000, 0.0002378400000000, -0.0001311900000000 ] - [ 0.0006201600000000, 0.0006071200000000, -0.0001316300000000 ] - [ 0.0002199000000000, -0.0008304700000000, -0.0001472500000000 ] - [ 0.0008894100000000, -0.0002399100000000, -0.0003351000000000 ] - [ -0.0006513200000000, -0.0006470600000000, -0.0003364700000000 ] - [ -0.0002397100000000, 0.0008907600000000, -0.0003429800000000 ] - [ 0.0000553100000000, -0.0004040700000000, -0.0002063800000000 ] - [ -0.0003809800000000, 0.0001543400000000, -0.0002100600000000 ] - [ 0.0003261900000000, 0.0002516400000000, -0.0002024800000000 ] - [ 0.0001258800000000, 0.0003830200000000, -0.0002145200000000 ] - [ 0.0002598000000000, -0.0002986900000000, -0.0002356400000000 ] - [ -0.0003943700000000, -0.0000862000000000, -0.0002109600000000 ] - [ -0.0001122300000000, -0.0006067400000000, -0.0000095600000000 ] - [ 0.0000267500000000, 0.0000059600000000, -0.0001243700000000 ] - [ -0.0000007200000000, -0.0002248400000000, 0.0003413300000000 ] - [ -0.0001997400000000, 0.0001005500000000, 0.0003656300000000 ] - [ 0.0001805300000000, 0.0001347100000000, 0.0003518600000000 ] - [ 0.0002167800000000, 0.0000456400000000, 0.0001537300000000 ] - [ 0.0028245100000000, 0.0007213200000000, -0.0003087100000000 ] - [ -0.0006332700000000, -0.0000123200000000, 0.0001579200000000 ] - [ 0.0003069800000000, -0.0002486200000000, 0.0000353600000000 ] - [ -0.0002548500000000, -0.0000273000000000, 0.0000387100000000 ] - [ 0.0000330200000000, 0.0003959100000000, -0.0000593000000000 ] - [ -0.0004534300000000, 0.0004353100000000, -0.0003832900000000 ] - [ 0.0004816700000000, 0.0000939100000000, -0.0002243300000000 ] - [ -0.0001177200000000, -0.0003717400000000, -0.0002612100000000 ] - [ -0.0004833900000000, 0.0002665800000000, 0.0011543400000000 ] - [ -0.0219258400000000, -0.0022590800000000, 0.0606554900000000 ] - [ -0.0008959000000000, 0.0007692400000000, 0.0006288300000000 ] - [ -0.0000541000000000, -0.0001730500000000, 0.0000784900000000 ] - [ -0.0001255800000000, 0.0001270600000000, 0.0000809100000000 ] - [ 0.0001757500000000, 0.0000477300000000, 0.0000775000000000 ] - [ -0.0000281400000000, -0.0003105200000000, -0.0001093200000000 ] - [ -0.0001647600000000, 0.0001544900000000, 0.0001641700000000 ] - [ 0.0000785500000000, -0.0000660400000000, 0.0001283900000000 ] - [ 0.0003117000000000, 0.0000724400000000, -0.0006584500000000 ] - [ 0.0002703200000000, -0.0000510500000000, -0.0004626000000000 ] - [ -0.0004374800000000, -0.0000435700000000, -0.0004989800000000 ] - [ -0.0008147500000000, 0.0002261900000000, -0.0001021000000000 ] - [ 0.0006321400000000, 0.0005745000000000, -0.0001368600000000 ] - [ 0.0002116900000000, -0.0007976400000000, -0.0001191400000000 ] - [ 0.0005911700000000, -0.0004009700000000, 0.0000653000000000 ] - [ -0.0004310200000000, -0.0011883700000000, -0.0008261100000000 ] - [ 0.0000343600000000, 0.0012295900000000, 0.0001632700000000 ] - [ 0.0000349800000000, -0.0007825100000000, -0.0002101000000000 ] - [ -0.0003800900000000, 0.0001114300000000, 0.0000922300000000 ] - [ 0.0000718700000000, -0.0001054200000000, -0.0000836000000000 ] - [ 0.0002438000000000, 0.0003345600000000, -0.0003749000000000 ] - [ 0.0002485600000000, -0.0002550300000000, -0.0001900000000000 ] - [ -0.0003387800000000, -0.0001265500000000, -0.0001767200000000 ] - [ -0.0102859100000000, 0.0007265800000000, -0.0053050500000000 ] - [ 0.0015377600000000, 0.0014076200000000, -0.0025432900000000 ] - [ 0.0006329400000000, 0.0001341100000000, -0.0013912000000000 ] - [ 0.0000129500000000, 0.0000231400000000, 0.0004557700000000 ] - [ -0.0000811000000000, 0.0000401300000000, 0.0004502000000000 ] - [ 0.0000539300000000, 0.0000040000000000, 0.0004137200000000 ] - [ -0.0002550300000000, -0.0004719500000000, 0.0003347500000000 ] - [ 0.0006058400000000, -0.0007790400000000, 0.0009334000000000 ] - [ 0.0003340900000000, 0.0002641100000000, -0.0003661700000000 ] - [ -0.0001897700000000, -0.0000568800000000, 0.0003957600000000 ] - [ 0.0008802200000000, -0.0000716600000000, -0.0001921900000000 ] - [ -0.0032719900000000, -0.0022192200000000, 0.0049784600000000 ] - [ 0.0216746600000000, 0.0047890000000000, -0.0983049900000000 ] - [ -0.0030915200000000, 0.0014730500000000, -0.0039654600000000 ] - [ 0.0036724200000000, -0.0010712200000000, -0.0039671800000000 ] - [ 0.0005139100000000, 0.0000052200000000, 0.0004136500000000 ] - [ -0.0003708300000000, -0.0005934700000000, 0.0005272300000000 ] - [ -0.0002308300000000, 0.0005325500000000, 0.0005254400000000 ] - [ 0.0066605100000000, 0.0037261900000000, 0.0010307700000000 ] - [ -0.0028469400000000, -0.0008950200000000, -0.0003255800000000 ] - [ -0.0001878000000000, 0.0011032000000000, -0.0001624600000000 ] - [ -0.0000344100000000, -0.0000521500000000, 0.0008708300000000 ] - [ -0.0010599000000000, -0.0000583500000000, 0.0004999700000000 ] - [ 0.0004935400000000, -0.0000304500000000, 0.0003576100000000 ] - [ -0.0000325000000000, 0.0000290200000000, 0.0001211500000000 ] - [ -0.0000038900000000, 0.0000391900000000, 0.0001464400000000 ] - [ 0.0000297100000000, -0.0000368200000000, 0.0001988000000000 ] - [ -0.0000002100000000, 0.0000996700000000, 0.0004229100000000 ] - [ 0.0000735900000000, -0.0000427400000000, 0.0004300300000000 ] - [ -0.0000561900000000, -0.0000523600000000, 0.0004429200000000 ] - [ 0.0000000400000000, -0.0002798600000000, 0.0001317600000000 ] - [ -0.0002402500000000, 0.0001353300000000, 0.0001302500000000 ] - [ 0.0002386000000000, 0.0001529500000000, 0.0001269200000000 ] - [ -0.0000097900000000, 0.0003583700000000, 0.0004332800000000 ] - [ 0.0003193400000000, -0.0001724700000000, 0.0004400000000000 ] - [ -0.0003003300000000, -0.0002001800000000, 0.0004334100000000 ] - [ -0.0006154200000000, -0.0003145000000000, 0.0000436000000000 ] - [ 0.0000381700000000, 0.0006649900000000, 0.0000501300000000 ] - [ 0.0005816500000000, -0.0004067400000000, 0.0000898700000000 ] - [ 0.0006427500000000, 0.0002777600000000, 0.0005396300000000 ] - [ -0.0000747000000000, -0.0006923600000000, 0.0005497600000000 ] - [ -0.0005606600000000, 0.0004083600000000, 0.0005479000000000 ] - [ 0.0002256700000000, 0.0002664100000000, 0.0002234000000000 ] - [ 0.0001061800000000, -0.0003315900000000, 0.0002172500000000 ] - [ -0.0003416900000000, 0.0000648800000000, 0.0002329400000000 ] - [ -0.0001542300000000, -0.0003108000000000, 0.0005143800000000 ] - [ -0.0001959500000000, 0.0002876200000000, 0.0005127800000000 ] - [ 0.0003495300000000, 0.0000231100000000, 0.0005208000000000 ] - [ -0.0000386000000000, 0.0001243400000000, 0.0001382000000000 ] - [ 0.0001315100000000, -0.0000103200000000, 0.0001563800000000 ] - [ -0.0000978500000000, -0.0001211000000000, 0.0001405300000000 ] - [ 0.0023282600000000, -0.0004399600000000, -0.0005001800000000 ] - [ -0.0010214500000000, 0.0004930800000000, -0.0008624500000000 ] - [ -0.0006300300000000, -0.0004438500000000, -0.0018982000000000 ] - [ -0.0000291400000000, -0.0003803400000000, 0.0001735700000000 ] - [ -0.0001927600000000, 0.0002532800000000, -0.0000915200000000 ] - [ 0.0003701100000000, 0.0001848600000000, 0.0003625400000000 ] - [ -0.0003242100000000, 0.0002485300000000, 0.0006655100000000 ] - [ 0.0005949200000000, -0.0003503500000000, 0.0004537900000000 ] - [ -0.0005437500000000, -0.0000896600000000, 0.0003836800000000 ] - [ -0.0006468700000000, 0.0000213900000000, 0.0000781300000000 ] - [ 0.0002164900000000, 0.0004873100000000, 0.0001236700000000 ] - [ 0.0002896400000000, -0.0005445900000000, 0.0000862600000000 ] - [ 0.0010813200000000, 0.0038847000000000, 0.0022778900000000 ] - [ -0.0000360600000000, -0.0008633700000000, -0.0002380500000000 ] - [ -0.0001105200000000, 0.0008976600000000, -0.0002379000000000 ] - [ 0.0002374100000000, 0.0002150300000000, 0.0001565400000000 ] - [ -0.0000295600000000, -0.0002699700000000, 0.0002393100000000 ] - [ -0.0002923100000000, 0.0000265100000000, 0.0001582200000000 ] - [ 0.0004272700000000, 0.0002650000000000, 0.0001079500000000 ] - [ -0.0001455800000000, 0.0006637500000000, 0.0010646800000000 ] - [ 0.0001566100000000, -0.0002321000000000, 0.0003773400000000 ]- atom: 139 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000099100000000, 0.0001235800000000, -0.0006687200000000 ] - [ 0.0001845400000000, 0.0002275200000000, 0.0013209900000000 ] - [ 0.0001115000000000, 0.0000503000000000, 0.0002839800000000 ] - [ -0.0000166600000000, -0.0000652500000000, -0.0000836000000000 ] - [ 0.0000040100000000, -0.0000008000000000, -0.0006753400000000 ] - [ 0.0000022600000000, -0.0000000600000000, 0.0003699600000000 ] - [ -0.0000001800000000, -0.0000055300000000, -0.0002558300000000 ] - [ -0.0000009600000000, -0.0000018900000000, -0.0000346100000000 ] - [ -0.0003354800000000, 0.0009661300000000, -0.0013483100000000 ] - [ -0.0000073800000000, 0.0000281500000000, 0.0003645200000000 ] - [ -0.0000105000000000, -0.0000240800000000, -0.0002534600000000 ] - [ 0.0001494700000000, -0.0001847700000000, 0.0001101100000000 ] - [ 0.0000677700000000, -0.0000176200000000, 0.0001140100000000 ] - [ -0.0015366100000000, -0.0157956000000000, -0.0136715900000000 ] - [ -0.0007967500000000, 0.0002012700000000, -0.0007545100000000 ] - [ 0.0002404800000000, 0.0000672200000000, -0.0002893500000000 ] - [ -0.0014862500000000, 0.0007962400000000, -0.0014380900000000 ] - [ -0.0000406700000000, 0.0002018700000000, -0.0003394100000000 ] - [ 0.0001939300000000, -0.0001276700000000, -0.0003681000000000 ] - [ -0.0001469200000000, -0.0001116000000000, -0.0003607200000000 ] - [ 0.0004068500000000, -0.0008060300000000, 0.0008910600000000 ] - [ -0.0005410400000000, -0.0001815700000000, 0.0000224800000000 ] - [ 0.0001748000000000, 0.0004933400000000, 0.0001516900000000 ] - [ -0.0003976700000000, 0.0003456000000000, -0.0004285500000000 ] - [ -0.0003812500000000, -0.0002962300000000, 0.0003750900000000 ] - [ -0.0000704500000000, -0.0011128200000000, 0.0001567500000000 ] - [ 0.0000548800000000, 0.0001544500000000, -0.0000658400000000 ] - [ 0.0001240500000000, -0.0001185700000000, -0.0000723100000000 ] - [ -0.0001803200000000, -0.0000467800000000, -0.0000791500000000 ] - [ -0.0000100100000000, 0.0001002700000000, -0.0004246400000000 ] - [ 0.0013806900000000, 0.0023445400000000, 0.0000005900000000 ] - [ 0.0000403500000000, 0.0000330700000000, -0.0003585700000000 ] - [ -0.0002498000000000, -0.0004219900000000, -0.0002532700000000 ] - [ -0.0002601600000000, 0.0002171700000000, 0.0002620000000000 ] - [ 0.0012929200000000, 0.0001763100000000, 0.0010231600000000 ] - [ -0.0011983200000000, 0.0002824500000000, 0.0002856900000000 ] - [ 0.0003074400000000, -0.0001523500000000, -0.0003137800000000 ] - [ 0.0004999700000000, 0.0005578700000000, -0.0002575200000000 ] - [ -0.0002016400000000, -0.0000797100000000, -0.0025297600000000 ] - [ 0.0109715900000000, 0.0025133400000000, -0.0060557100000000 ] - [ -0.0000099300000000, 0.0008999900000000, -0.0009748000000000 ] - [ 0.0008480400000000, -0.0002201000000000, 0.0001435100000000 ] - [ -0.0008189200000000, -0.0006277000000000, 0.0001296100000000 ] - [ -0.0001887500000000, 0.0008013800000000, 0.0000523000000000 ] - [ -0.0002421800000000, -0.0003711900000000, 0.0001898400000000 ] - [ -0.0000591300000000, 0.0001868000000000, 0.0002184400000000 ] - [ 0.0004678800000000, 0.0001927100000000, 0.0000868300000000 ] - [ -0.0003654900000000, 0.0004052000000000, -0.0001897800000000 ] - [ 0.0010952900000000, 0.0002918400000000, 0.0000060100000000 ] - [ -0.0124327800000000, 0.0176532100000000, -0.0158391500000000 ] - [ 0.0000007700000000, -0.0000032400000000, 0.0000990100000000 ] - [ -0.0000111600000000, -0.0000142200000000, 0.0002528100000000 ] - [ 0.0001249700000000, -0.0003274600000000, 0.0007762200000000 ] - [ -0.0003526200000000, 0.0000594300000000, 0.0008163900000000 ] - [ 0.0002080600000000, 0.0003024200000000, 0.0008049100000000 ] - [ -0.0000229600000000, 0.0002334100000000, -0.0003672400000000 ] - [ 0.0002150600000000, -0.0001032300000000, -0.0003610200000000 ] - [ -0.0001942600000000, -0.0001219800000000, -0.0003595800000000 ] - [ 0.0003447600000000, -0.0003588300000000, 0.0003104700000000 ] - [ -0.0004825800000000, -0.0001171900000000, 0.0003098000000000 ] - [ 0.0001405800000000, 0.0004791800000000, 0.0003142500000000 ] - [ -0.0002427800000000, 0.0002550100000000, 0.0000586200000000 ] - [ 0.0003433300000000, 0.0000849200000000, 0.0000567300000000 ] - [ -0.0001000300000000, -0.0003384300000000, 0.0000598700000000 ] - [ 0.0000485400000000, 0.0001577900000000, -0.0000901000000000 ] - [ 0.0001175400000000, -0.0001195900000000, -0.0000936500000000 ] - [ -0.0001729600000000, -0.0000272700000000, -0.0000575000000000 ] - [ -0.0000663200000000, -0.0002261100000000, 0.0004680700000000 ] - [ -0.0001341800000000, 0.0002016100000000, 0.0004645000000000 ] - [ 0.0002162400000000, 0.0000120500000000, 0.0005017300000000 ] - [ -0.0000735300000000, -0.0002062200000000, 0.0004947900000000 ] - [ -0.0001414200000000, 0.0001629800000000, 0.0005007300000000 ] - [ 0.0002102900000000, 0.0000429000000000, 0.0004960300000000 ] - [ 0.0000237800000000, 0.0001760100000000, -0.0000388800000000 ] - [ 0.0001382200000000, -0.0001101400000000, -0.0000360600000000 ] - [ -0.0001615500000000, -0.0000681400000000, -0.0000409900000000 ] - [ -0.0008825300000000, 0.0002346300000000, 0.0003404200000000 ] - [ 0.0006491200000000, 0.0006473700000000, 0.0003409100000000 ] - [ 0.0002358800000000, -0.0008944600000000, 0.0003567200000000 ] - [ 0.0008384400000000, -0.0002328500000000, 0.0001274400000000 ] - [ -0.0006181200000000, -0.0006076500000000, 0.0001283800000000 ] - [ -0.0002161400000000, 0.0008339700000000, 0.0001347100000000 ] - [ -0.0001230100000000, -0.0003803400000000, 0.0002154200000000 ] - [ -0.0002660400000000, 0.0002955500000000, 0.0002193400000000 ] - [ 0.0003927700000000, 0.0000863000000000, 0.0002135000000000 ] - [ -0.0000584200000000, 0.0004011600000000, 0.0002068200000000 ] - [ 0.0003874100000000, -0.0001513800000000, 0.0002281000000000 ] - [ -0.0003244600000000, -0.0002521000000000, 0.0002010500000000 ] - [ 0.0001160400000000, 0.0006061500000000, -0.0001368100000000 ] - [ -0.0000274000000000, -0.0000064100000000, 0.0002397700000000 ] - [ 0.0001513000000000, -0.0003183600000000, 0.0008156400000000 ] - [ -0.0003447200000000, 0.0000412000000000, 0.0007909900000000 ] - [ 0.0002132200000000, 0.0002685000000000, 0.0008018000000000 ] - [ -0.0003744800000000, 0.0005270000000000, -0.0013072700000000 ] - [ -0.0022561600000000, -0.0008722000000000, -0.0008489300000000 ] - [ 0.0002214700000000, -0.0004049900000000, -0.0013075600000000 ] - [ 0.0002869900000000, -0.0003696300000000, 0.0002233200000000 ] - [ -0.0005745900000000, -0.0001720200000000, 0.0002166900000000 ] - [ 0.0002070400000000, 0.0004262000000000, 0.0003153500000000 ] - [ -0.0001618100000000, 0.0001952200000000, 0.0001433600000000 ] - [ 0.0003709000000000, 0.0001204700000000, -0.0000168000000000 ] - [ -0.0001211500000000, -0.0004762500000000, 0.0000224200000000 ] - [ 0.0005830300000000, 0.0001154200000000, -0.0017342600000000 ] - [ 0.0234574300000000, 0.0019849400000000, -0.0633847000000000 ] - [ 0.0005293200000000, -0.0008744600000000, -0.0012149100000000 ] - [ -0.0000884500000000, -0.0002245900000000, 0.0004852300000000 ] - [ -0.0001474000000000, 0.0001923800000000, 0.0004825400000000 ] - [ 0.0002305500000000, 0.0000165200000000, 0.0004893500000000 ] - [ -0.0000850000000000, -0.0001234000000000, 0.0006427000000000 ] - [ -0.0001528600000000, 0.0001561700000000, 0.0003733300000000 ] - [ 0.0003454700000000, 0.0001893200000000, 0.0004087300000000 ] - [ -0.0001524900000000, 0.0003476800000000, 0.0001207900000000 ] - [ 0.0000155300000000, -0.0002925200000000, -0.0000768700000000 ] - [ -0.0000007600000000, -0.0000323900000000, -0.0000406500000000 ] - [ -0.0008639600000000, 0.0002557600000000, 0.0003270600000000 ] - [ 0.0006229100000000, 0.0006327400000000, 0.0003618600000000 ] - [ 0.0002109500000000, -0.0008911000000000, 0.0003448900000000 ] - [ 0.0011353800000000, -0.0000892200000000, -0.0002738500000000 ] - [ -0.0008540800000000, -0.0000518100000000, 0.0006253900000000 ] - [ -0.0004766100000000, 0.0005023100000000, -0.0003717800000000 ] - [ -0.0000844800000000, 0.0000286300000000, 0.0002332800000000 ] - [ -0.0002516800000000, 0.0003081400000000, -0.0000673700000000 ] - [ 0.0006111400000000, 0.0004445900000000, 0.0001118600000000 ] - [ -0.0001769700000000, 0.0003928700000000, 0.0003616900000000 ] - [ 0.0003531600000000, -0.0001652800000000, 0.0001794300000000 ] - [ -0.0003301300000000, -0.0001873100000000, 0.0001647800000000 ] - [ 0.0098611000000000, -0.0006690500000000, 0.0051492700000000 ] - [ -0.0012726700000000, -0.0010560400000000, 0.0023880600000000 ] - [ -0.0004572000000000, -0.0005394100000000, 0.0012267600000000 ] - [ 0.0000308000000000, -0.0001776500000000, -0.0001558000000000 ] - [ -0.0000830000000000, 0.0000064200000000, -0.0001549400000000 ] - [ 0.0000603000000000, 0.0001356000000000, -0.0001157900000000 ] - [ 0.0003262900000000, -0.0005022500000000, -0.0007478900000000 ] - [ -0.0014776500000000, 0.0012266100000000, -0.0013560900000000 ] - [ 0.0004894700000000, 0.0002586800000000, -0.0000490400000000 ] - [ 0.0003284500000000, 0.0008114300000000, -0.0001144700000000 ] - [ -0.0003057700000000, -0.0003990600000000, 0.0004732400000000 ] - [ 0.0025761800000000, 0.0019373600000000, -0.0046600400000000 ] - [ -0.0248463000000000, -0.0048581300000000, 0.0994270900000000 ] - [ 0.0034473400000000, -0.0002136700000000, 0.0034376600000000 ] - [ -0.0027514900000000, 0.0001232800000000, 0.0034357300000000 ] - [ 0.0007285200000000, -0.0000177300000000, 0.0000108200000000 ] - [ -0.0002588400000000, -0.0004743000000000, -0.0001006000000000 ] - [ -0.0003824800000000, 0.0005542600000000, -0.0001023900000000 ] - [ -0.0062393500000000, -0.0034130500000000, -0.0013847500000000 ] - [ 0.0028990700000000, 0.0003959200000000, -0.0000510200000000 ] - [ -0.0002878700000000, -0.0009362900000000, -0.0002089400000000 ] - [ -0.0003825700000000, -0.0003796200000000, -0.0004897100000000 ] - [ 0.0008979000000000, 0.0006105700000000, -0.0001139700000000 ] - [ 0.0000690200000000, -0.0001196500000000, 0.0000268300000000 ] - [ -0.0000082100000000, -0.0001057600000000, -0.0004070200000000 ] - [ -0.0000492600000000, 0.0000333100000000, -0.0004279700000000 ] - [ 0.0000603400000000, 0.0000342600000000, -0.0004832300000000 ] - [ 0.0000409400000000, -0.0000231000000000, -0.0001364800000000 ] - [ -0.0000209100000000, -0.0000295100000000, -0.0001487100000000 ] - [ -0.0000332900000000, 0.0000540400000000, -0.0001581500000000 ] - [ 0.0000026100000000, -0.0003617100000000, -0.0004361900000000 ] - [ -0.0003130700000000, 0.0001700600000000, -0.0004340100000000 ] - [ 0.0003032100000000, 0.0001978600000000, -0.0004325100000000 ] - [ 0.0000071800000000, 0.0002829000000000, -0.0001280000000000 ] - [ 0.0002336600000000, -0.0001320000000000, -0.0001356100000000 ] - [ -0.0002419100000000, -0.0001508400000000, -0.0001270200000000 ] - [ -0.0006405900000000, -0.0002711200000000, -0.0005374900000000 ] - [ 0.0000860100000000, 0.0007013100000000, -0.0005462600000000 ] - [ 0.0005507300000000, -0.0003875100000000, -0.0005832200000000 ] - [ 0.0006133900000000, 0.0003073900000000, -0.0000455900000000 ] - [ -0.0000494300000000, -0.0006744000000000, -0.0000533600000000 ] - [ -0.0005717400000000, 0.0003861200000000, -0.0000551500000000 ] - [ 0.0001551500000000, 0.0003105700000000, -0.0005182600000000 ] - [ 0.0002018100000000, -0.0002863400000000, -0.0005128500000000 ] - [ -0.0003487600000000, -0.0000248300000000, -0.0005289300000000 ] - [ -0.0002266800000000, -0.0002664100000000, -0.0002188100000000 ] - [ -0.0001111600000000, 0.0003299100000000, -0.0002166600000000 ] - [ 0.0003412600000000, -0.0000635100000000, -0.0002243100000000 ] - [ -0.0000048200000000, 0.0000298200000000, -0.0004375300000000 ] - [ 0.0000329700000000, -0.0000362600000000, -0.0004504300000000 ] - [ -0.0000170000000000, -0.0000185300000000, -0.0004371600000000 ] - [ -0.0018702500000000, 0.0003740500000000, 0.0006721600000000 ] - [ 0.0007504600000000, -0.0008479300000000, 0.0010228300000000 ] - [ 0.0004532500000000, 0.0008520500000000, 0.0020695000000000 ] - [ -0.0001069100000000, -0.0003730400000000, -0.0004563500000000 ] - [ -0.0003837100000000, 0.0002178600000000, -0.0001916600000000 ] - [ 0.0003419600000000, 0.0000697400000000, -0.0006487900000000 ] - [ 0.0002476400000000, 0.0007217900000000, -0.0002472300000000 ] - [ 0.0002697400000000, -0.0000925800000000, -0.0000384800000000 ] - [ -0.0002790400000000, -0.0004327800000000, 0.0000332700000000 ] - [ -0.0005969500000000, -0.0000091300000000, -0.0005017100000000 ] - [ 0.0004107000000000, 0.0005792200000000, -0.0005481200000000 ] - [ 0.0003226200000000, -0.0005436000000000, -0.0005093100000000 ] - [ 0.0001881100000000, -0.0035663300000000, -0.0017450400000000 ] - [ -0.0003160700000000, -0.0004044600000000, 0.0007774800000000 ] - [ -0.0008144700000000, 0.0000438300000000, 0.0007777700000000 ] - [ 0.0001802400000000, 0.0002135600000000, -0.0005384500000000 ] - [ 0.0001849100000000, -0.0002836300000000, -0.0006231400000000 ] - [ -0.0002723700000000, 0.0001195800000000, -0.0005423500000000 ] - [ -0.0008271700000000, -0.0005878000000000, 0.0002622300000000 ] - [ 0.0000697400000000, -0.0001600800000000, -0.0006938400000000 ] - [ 0.0003162000000000, 0.0000517000000000, -0.0000071700000000 ]- atom: 145 displacement: [ 0.0100000000000000, 0.0000000000216584, 0.0000000000000000 ] forces: - [ -0.0001035700000000, 0.0001321900000000, -0.0006228400000000 ] - [ 0.0000299500000000, 0.0008927500000000, 0.0005845900000000 ] - [ 0.0012865900000000, -0.0005497800000000, -0.0007681400000000 ] - [ -0.0000104300000000, -0.0000802700000000, -0.0000463400000000 ] - [ 0.0000000900000000, -0.0000004300000000, -0.0005014000000000 ] - [ 0.0000131700000000, 0.0000060000000000, 0.0005526500000000 ] - [ -0.0000084900000000, 0.0000115100000000, -0.0000908000000000 ] - [ -0.0000013000000000, -0.0000010400000000, 0.0001280900000000 ] - [ -0.0000389500000000, -0.0001117100000000, -0.0004499000000000 ] - [ -0.0000059300000000, -0.0000042600000000, 0.0005405600000000 ] - [ -0.0000017100000000, -0.0000018600000000, -0.0000944000000000 ] - [ 0.0001217800000000, -0.0000408500000000, 0.0000959800000000 ] - [ -0.0006184300000000, 0.0001157800000000, -0.0003056600000000 ] - [ -0.0009553400000000, 0.0019801900000000, -0.0015085200000000 ] - [ -0.0004417500000000, -0.0001974800000000, 0.0004297800000000 ] - [ -0.0005479700000000, -0.0000407900000000, 0.0005369400000000 ] - [ 0.0005605900000000, 0.0013504600000000, 0.0013622600000000 ] - [ 0.0000721900000000, 0.0002197300000000, -0.0005231300000000 ] - [ 0.0002264800000000, 0.0001918300000000, -0.0007974200000000 ] - [ -0.0001179200000000, -0.0002244600000000, -0.0004703300000000 ] - [ 0.0017272000000000, -0.0010580300000000, 0.0013507900000000 ] - [ -0.0006175900000000, -0.0000794000000000, 0.0001454800000000 ] - [ 0.0002780000000000, 0.0012102900000000, 0.0001339100000000 ] - [ -0.0003027500000000, -0.0003500500000000, -0.0002462300000000 ] - [ -0.0007515400000000, -0.0006681900000000, 0.0008740100000000 ] - [ 0.0003298700000000, 0.0005066400000000, 0.0003735300000000 ] - [ 0.0001150900000000, 0.0002024800000000, -0.0003048900000000 ] - [ 0.0001003400000000, -0.0001151400000000, -0.0002937500000000 ] - [ -0.0002219800000000, -0.0000333300000000, -0.0002357500000000 ] - [ -0.0005061400000000, -0.0006988000000000, 0.0005856700000000 ] - [ -0.0004976100000000, 0.0001586000000000, -0.0004049800000000 ] - [ 0.0002808300000000, 0.0003364700000000, 0.0003865900000000 ] - [ -0.0007182300000000, -0.0000764000000000, 0.0003227700000000 ] - [ -0.0006885600000000, 0.0002339700000000, 0.0004200500000000 ] - [ 0.0278072700000000, -0.0146675400000000, 0.0127037300000000 ] - [ -0.0012794800000000, 0.0003326600000000, 0.0005762700000000 ] - [ 0.0002514500000000, -0.0000000900000000, -0.0000222600000000 ] - [ 0.0064943800000000, -0.0064706100000000, -0.0081465800000000 ] - [ 0.0142166400000000, 0.0106097100000000, -0.0178061100000000 ] - [ -0.0005095200000000, 0.0010169700000000, -0.0004085400000000 ] - [ 0.0001912000000000, -0.0001190100000000, -0.0000709500000000 ] - [ 0.0013558600000000, -0.0008937200000000, -0.0012006700000000 ] - [ -0.0009393700000000, -0.0006864400000000, 0.0001328700000000 ] - [ -0.0003329100000000, 0.0009435500000000, -0.0000997600000000 ] - [ -0.0005024200000000, -0.0002464500000000, 0.0003347800000000 ] - [ -0.0002220100000000, 0.0011557000000000, -0.0007572200000000 ] - [ 0.0005843300000000, -0.0005954200000000, -0.0000723100000000 ] - [ -0.0004594400000000, 0.0007674300000000, 0.0002983000000000 ] - [ 0.0008183400000000, -0.0003334500000000, -0.0003074000000000 ] - [ 0.0228668300000000, 0.0246968400000000, 0.0114953000000000 ] - [ 0.0000012100000000, -0.0000006700000000, -0.0000959900000000 ] - [ 0.0000259200000000, -0.0000049500000000, 0.0000715500000000 ] - [ 0.0000014800000000, -0.0002650200000000, 0.0005679100000000 ] - [ -0.0001689600000000, 0.0000048400000000, 0.0004183500000000 ] - [ 0.0002253900000000, 0.0002806100000000, 0.0005741400000000 ] - [ -0.0000854300000000, 0.0002866400000000, -0.0006075700000000 ] - [ 0.0002914300000000, -0.0000727300000000, -0.0006124500000000 ] - [ -0.0002052700000000, -0.0002190500000000, -0.0006100400000000 ] - [ 0.0002879600000000, -0.0003025800000000, 0.0001026600000000 ] - [ -0.0004064200000000, -0.0000952000000000, 0.0001080300000000 ] - [ 0.0001167000000000, 0.0003991900000000, 0.0001060500000000 ] - [ -0.0003114300000000, 0.0003160500000000, -0.0001566700000000 ] - [ 0.0004184700000000, 0.0000950100000000, -0.0001469400000000 ] - [ -0.0001248400000000, -0.0004160600000000, -0.0001506200000000 ] - [ 0.0000710900000000, 0.0001921600000000, -0.0003133000000000 ] - [ 0.0001275500000000, -0.0001597300000000, -0.0003089200000000 ] - [ -0.0001976500000000, -0.0000253800000000, -0.0003167300000000 ] - [ -0.0000935900000000, -0.0001388300000000, 0.0001537800000000 ] - [ -0.0001486100000000, 0.0000661200000000, 0.0001969000000000 ] - [ 0.0000007300000000, 0.0000455800000000, 0.0002331500000000 ] - [ -0.0000512200000000, -0.0001872300000000, 0.0002412100000000 ] - [ -0.0001350400000000, 0.0001404300000000, 0.0002341600000000 ] - [ 0.0001826300000000, 0.0000587300000000, 0.0002379300000000 ] - [ 0.0000520400000000, 0.0001911400000000, -0.0002860200000000 ] - [ 0.0001445000000000, -0.0001355100000000, -0.0002944700000000 ] - [ -0.0001872500000000, -0.0000556400000000, -0.0003020000000000 ] - [ -0.0008461900000000, 0.0002326100000000, 0.0000647700000000 ] - [ 0.0006368800000000, 0.0006369700000000, 0.0001314400000000 ] - [ 0.0002643100000000, -0.0008422600000000, 0.0000788900000000 ] - [ 0.0008663900000000, -0.0002377100000000, -0.0001345300000000 ] - [ -0.0006372400000000, -0.0006290600000000, -0.0001333400000000 ] - [ -0.0002267700000000, 0.0008665600000000, -0.0001373500000000 ] - [ -0.0000230800000000, -0.0003944500000000, -0.0000221900000000 ] - [ -0.0003305000000000, 0.0002153200000000, -0.0000244700000000 ] - [ 0.0003538900000000, 0.0001818200000000, -0.0000235800000000 ] - [ 0.0000334900000000, 0.0003985300000000, -0.0000011400000000 ] - [ 0.0003285100000000, -0.0002304900000000, -0.0000022300000000 ] - [ -0.0003571000000000, -0.0001666200000000, -0.0000236100000000 ] - [ -0.0000095200000000, -0.0002754500000000, -0.0001413700000000 ] - [ -0.0000040400000000, 0.0000032600000000, 0.0000380500000000 ] - [ 0.0000705500000000, -0.0002661600000000, 0.0005550000000000 ] - [ -0.0002630500000000, 0.0000757700000000, 0.0005532000000000 ] - [ 0.0001940300000000, 0.0001893300000000, 0.0005509400000000 ] - [ -0.0000888400000000, 0.0002981900000000, -0.0005579400000000 ] - [ -0.0001582200000000, 0.0001230800000000, 0.0002616000000000 ] - [ -0.0004258900000000, -0.0002319200000000, -0.0008077200000000 ] - [ 0.0002776400000000, -0.0003110300000000, 0.0001133100000000 ] - [ -0.0003638400000000, -0.0000595000000000, 0.0000240500000000 ] - [ 0.0000999900000000, 0.0004114400000000, 0.0000832200000000 ] - [ -0.0003033200000000, 0.0003310300000000, -0.0001746500000000 ] - [ 0.0004362800000000, 0.0001242900000000, -0.0001496900000000 ] - [ -0.0001128700000000, -0.0004171100000000, -0.0001185400000000 ] - [ 0.0006723600000000, -0.0004823900000000, -0.0005676200000000 ] - [ 0.0010951800000000, 0.0004345600000000, -0.0010632500000000 ] - [ -0.0007267500000000, 0.0001219100000000, -0.0007477200000000 ] - [ -0.0000687000000000, -0.0001940900000000, 0.0002569600000000 ] - [ -0.0001349000000000, 0.0001568300000000, 0.0002583200000000 ] - [ 0.0001993400000000, 0.0000330500000000, 0.0002612600000000 ] - [ -0.0000341900000000, -0.0002160400000000, 0.0002879500000000 ] - [ -0.0001897900000000, 0.0001395200000000, 0.0002438300000000 ] - [ 0.0002059200000000, 0.0000194300000000, 0.0002336600000000 ] - [ 0.0001001200000000, 0.0002258900000000, -0.0002891700000000 ] - [ 0.0001317800000000, -0.0002107800000000, -0.0002719500000000 ] - [ -0.0002288300000000, -0.0000575600000000, -0.0003214700000000 ] - [ -0.0008339300000000, 0.0002366600000000, 0.0000782800000000 ] - [ 0.0006259600000000, 0.0005996400000000, 0.0000890200000000 ] - [ 0.0002036400000000, -0.0008469400000000, 0.0001005700000000 ] - [ 0.0007563600000000, -0.0004413500000000, -0.0002874200000000 ] - [ -0.0004971800000000, -0.0004786100000000, 0.0000710700000000 ] - [ -0.0003131400000000, 0.0008618900000000, -0.0000905100000000 ] - [ -0.0000467400000000, -0.0003480500000000, 0.0000099200000000 ] - [ -0.0003204800000000, 0.0001932800000000, 0.0000143100000000 ] - [ 0.0003795000000000, 0.0002180600000000, -0.0001372600000000 ] - [ 0.0000574100000000, 0.0003604500000000, -0.0000489300000000 ] - [ 0.0002741900000000, -0.0002282100000000, -0.0000470400000000 ] - [ -0.0003389900000000, -0.0001589500000000, -0.0000230500000000 ] - [ -0.0019103600000000, -0.0024224100000000, -0.0021023500000000 ] - [ 0.0008086100000000, -0.0001448600000000, 0.0003789900000000 ] - [ 0.0000320500000000, 0.0001543300000000, 0.0004922300000000 ] - [ 0.0001492900000000, 0.0004533600000000, 0.0004346200000000 ] - [ -0.0000630300000000, 0.0000596200000000, 0.0000241500000000 ] - [ 0.0002243100000000, 0.0000616100000000, 0.0002210700000000 ] - [ 0.0011049000000000, -0.0004664600000000, -0.0008326600000000 ] - [ -0.0071367300000000, -0.0041474700000000, -0.0000645600000000 ] - [ 0.0010252600000000, 0.0001194400000000, -0.0001175200000000 ] - [ 0.0004001900000000, -0.0000839900000000, -0.0001210100000000 ] - [ -0.0015941600000000, -0.0003203600000000, 0.0024790500000000 ] - [ 0.0044584500000000, 0.0022343500000000, -0.0053467600000000 ] - [ 0.0038826900000000, -0.0026802500000000, 0.0061601500000000 ] - [ 0.0021963600000000, -0.0007354100000000, 0.0005804900000000 ] - [ -0.0042904900000000, 0.0016217000000000, 0.0017259300000000 ] - [ 0.0009697700000000, 0.0003695500000000, 0.0003868900000000 ] - [ 0.0004334700000000, -0.0008565200000000, 0.0001459200000000 ] - [ -0.0002176300000000, 0.0005573500000000, 0.0009911500000000 ] - [ -0.0695769700000000, -0.0169767500000000, -0.0068404700000000 ] - [ 0.0011143200000000, -0.0006121100000000, -0.0003745600000000 ] - [ -0.0005540400000000, -0.0003560800000000, -0.0006036100000000 ] - [ -0.0027762900000000, 0.0061077500000000, 0.0063418800000000 ] - [ 0.0010220100000000, 0.0006583700000000, -0.0003273200000000 ] - [ 0.0009593600000000, -0.0007004500000000, -0.0001029300000000 ] - [ -0.0001699500000000, -0.0001184000000000, -0.0000542900000000 ] - [ 0.0000609300000000, -0.0000331400000000, -0.0001653700000000 ] - [ -0.0002542900000000, -0.0000441500000000, -0.0000967900000000 ] - [ 0.0000174800000000, 0.0000446200000000, 0.0001807500000000 ] - [ 0.0000300700000000, -0.0000359700000000, 0.0001758600000000 ] - [ -0.0000533900000000, -0.0000027200000000, 0.0001831300000000 ] - [ 0.0000068300000000, -0.0003217400000000, -0.0001150100000000 ] - [ -0.0002727000000000, 0.0001524300000000, -0.0001167000000000 ] - [ 0.0002770700000000, 0.0001695600000000, -0.0001160900000000 ] - [ -0.0000045900000000, 0.0003113100000000, 0.0001784800000000 ] - [ 0.0002772200000000, -0.0001459100000000, 0.0001890000000000 ] - [ -0.0002766700000000, -0.0001674800000000, 0.0001854500000000 ] - [ -0.0006499200000000, -0.0002432600000000, -0.0002189300000000 ] - [ 0.0000472900000000, 0.0006216400000000, -0.0002839900000000 ] - [ 0.0005218200000000, -0.0003837500000000, -0.0001993000000000 ] - [ 0.0006314600000000, 0.0002923800000000, 0.0002840900000000 ] - [ -0.0000635400000000, -0.0006860200000000, 0.0002841100000000 ] - [ -0.0005669800000000, 0.0003984600000000, 0.0002866100000000 ] - [ 0.0001888800000000, 0.0002770500000000, -0.0000996300000000 ] - [ 0.0001645500000000, -0.0003231800000000, -0.0001195800000000 ] - [ -0.0003622800000000, 0.0000043200000000, -0.0001006600000000 ] - [ -0.0001860300000000, -0.0002908000000000, 0.0001959000000000 ] - [ -0.0001546700000000, 0.0003081400000000, 0.0001918100000000 ] - [ 0.0003395400000000, -0.0000223000000000, 0.0001991200000000 ] - [ -0.0000249000000000, 0.0000871600000000, -0.0001130500000000 ] - [ 0.0000879800000000, -0.0000193800000000, -0.0001129000000000 ] - [ -0.0000512200000000, -0.0000761600000000, -0.0001185200000000 ] - [ 0.0008921400000000, 0.0000300900000000, 0.0002863400000000 ] - [ -0.0000843400000000, -0.0010299700000000, -0.0004225100000000 ] - [ 0.0008421400000000, 0.0002654000000000, 0.0000352800000000 ] - [ -0.0000483700000000, -0.0004215400000000, -0.0000987300000000 ] - [ -0.0002917100000000, 0.0002809200000000, -0.0001476200000000 ] - [ 0.0002633200000000, 0.0001429800000000, -0.0000558600000000 ] - [ -0.0000840600000000, 0.0004352900000000, 0.0002564200000000 ] - [ 0.0004412500000000, -0.0002141200000000, 0.0002877700000000 ] - [ -0.0004365900000000, -0.0002805500000000, 0.0002202500000000 ] - [ -0.0006236000000000, 0.0000061000000000, -0.0001776400000000 ] - [ 0.0003038300000000, 0.0005236700000000, -0.0001763900000000 ] - [ 0.0003140000000000, -0.0005367300000000, -0.0001690400000000 ] - [ 0.0001150000000000, 0.0002375700000000, 0.0009005000000000 ] - [ 0.0000029000000000, -0.0007154600000000, 0.0001877900000000 ] - [ -0.0005680700000000, 0.0008283100000000, -0.0000305900000000 ] - [ 0.0002074800000000, 0.0002336800000000, -0.0001276900000000 ] - [ 0.0000743700000000, -0.0002697900000000, -0.0001618700000000 ] - [ -0.0002388600000000, 0.0001063300000000, -0.0001677800000000 ] - [ -0.0001867100000000, -0.0001248800000000, 0.0003331800000000 ] - [ 0.0000318900000000, 0.0001398000000000, 0.0001641000000000 ] - [ 0.0003145200000000, 0.0000266500000000, 0.0001672500000000 ]- atom: 145 displacement: [ -0.0100000000000000, -0.0000000000216584, 0.0000000000000000 ] forces: - [ 0.0001051800000000, -0.0001345100000000, -0.0004180600000000 ] - [ -0.0000302800000000, -0.0008875000000000, 0.0004550200000000 ] - [ -0.0012765700000000, 0.0005446800000000, 0.0005429200000000 ] - [ 0.0000117400000000, 0.0000806400000000, 0.0002657900000000 ] - [ 0.0000005600000000, -0.0000006200000000, -0.0005420000000000 ] - [ -0.0000139900000000, -0.0000054400000000, 0.0004902000000000 ] - [ 0.0000092000000000, -0.0000101500000000, -0.0001308700000000 ] - [ 0.0000005100000000, -0.0000008700000000, 0.0000934200000000 ] - [ 0.0000386300000000, 0.0001099800000000, -0.0005922800000000 ] - [ 0.0000034800000000, 0.0000058700000000, 0.0005006300000000 ] - [ 0.0000037500000000, 0.0000016100000000, -0.0001266900000000 ] - [ -0.0001242700000000, 0.0000392400000000, 0.0001288000000000 ] - [ 0.0006227500000000, -0.0001169900000000, 0.0001902400000000 ] - [ 0.0009730000000000, -0.0019972100000000, 0.0016818800000000 ] - [ 0.0006008000000000, -0.0003737200000000, 0.0007316700000000 ] - [ -0.0000243400000000, 0.0001913000000000, 0.0006253400000000 ] - [ -0.0001534400000000, -0.0009305300000000, -0.0001968300000000 ] - [ -0.0002233900000000, 0.0003214100000000, -0.0006389200000000 ] - [ 0.0003165900000000, -0.0003314500000000, -0.0003648200000000 ] - [ -0.0002746400000000, -0.0001769400000000, -0.0006881700000000 ] - [ -0.0011127600000000, 0.0004334800000000, -0.0011087100000000 ] - [ -0.0002339100000000, -0.0001371700000000, 0.0000972300000000 ] - [ -0.0000388300000000, -0.0003606900000000, 0.0001077400000000 ] - [ -0.0002923000000000, 0.0009535500000000, -0.0000158100000000 ] - [ 0.0015741700000000, 0.0008677700000000, -0.0011265200000000 ] - [ -0.0005685800000000, -0.0013247200000000, -0.0006337000000000 ] - [ 0.0000280400000000, 0.0001927000000000, -0.0002615100000000 ] - [ 0.0001703400000000, -0.0002045300000000, -0.0002727400000000 ] - [ -0.0001830100000000, -0.0000295500000000, -0.0003337600000000 ] - [ 0.0004043700000000, 0.0003172700000000, -0.0000078200000000 ] - [ 0.0002149800000000, 0.0001220400000000, 0.0009815100000000 ] - [ 0.0000964500000000, -0.0002434900000000, 0.0002001600000000 ] - [ 0.0005596600000000, -0.0003452400000000, 0.0002129900000000 ] - [ 0.0004023700000000, 0.0001096400000000, 0.0001208000000000 ] - [ -0.0268189300000000, 0.0141945800000000, -0.0116118400000000 ] - [ 0.0013978800000000, 0.0001067200000000, -0.0011115600000000 ] - [ 0.0000649600000000, -0.0003145800000000, -0.0005153500000000 ] - [ -0.0068305000000000, 0.0062789100000000, 0.0075332400000000 ] - [ -0.0159927700000000, -0.0099883800000000, 0.0177708100000000 ] - [ 0.0017927800000000, 0.0002284500000000, 0.0006208700000000 ] - [ 0.0002486200000000, -0.0016203900000000, 0.0002843900000000 ] - [ 0.0003208800000000, 0.0004056800000000, 0.0009747500000000 ] - [ -0.0003144700000000, -0.0005176800000000, -0.0003604900000000 ] - [ -0.0000878100000000, 0.0007423100000000, -0.0001271300000000 ] - [ 0.0004401900000000, -0.0004802100000000, -0.0003250300000000 ] - [ -0.0003792100000000, -0.0007395200000000, 0.0007710000000000 ] - [ 0.0000846600000000, 0.0009127100000000, 0.0000833400000000 ] - [ 0.0005106100000000, -0.0000179500000000, -0.0003226700000000 ] - [ -0.0001870600000000, -0.0000850900000000, 0.0002816000000000 ] - [ -0.0241177700000000, -0.0258789400000000, -0.0118890200000000 ] - [ -0.0000006800000000, 0.0000005700000000, -0.0000522500000000 ] - [ -0.0000268500000000, 0.0000043600000000, 0.0000765700000000 ] - [ 0.0001523300000000, -0.0003005400000000, 0.0005988100000000 ] - [ -0.0003972500000000, 0.0001440600000000, 0.0007494100000000 ] - [ 0.0001865900000000, 0.0001366900000000, 0.0005904200000000 ] - [ -0.0000700600000000, 0.0002789300000000, -0.0005595000000000 ] - [ 0.0002733500000000, -0.0000778700000000, -0.0005541500000000 ] - [ -0.0002067500000000, -0.0001994000000000, -0.0005548800000000 ] - [ 0.0003005900000000, -0.0003127500000000, 0.0001499300000000 ] - [ -0.0004185100000000, -0.0001048100000000, 0.0001452600000000 ] - [ 0.0001217600000000, 0.0004169300000000, 0.0001447600000000 ] - [ -0.0002777900000000, 0.0002987200000000, -0.0000957500000000 ] - [ 0.0004063800000000, 0.0001045500000000, -0.0001065200000000 ] - [ -0.0001138300000000, -0.0004015200000000, -0.0001005300000000 ] - [ 0.0000720000000000, 0.0001846400000000, -0.0002585100000000 ] - [ 0.0001278400000000, -0.0001506800000000, -0.0002635600000000 ] - [ -0.0001910200000000, -0.0000277900000000, -0.0002594900000000 ] - [ -0.0000496100000000, -0.0002402600000000, 0.0004183100000000 ] - [ -0.0001058300000000, 0.0002440100000000, 0.0003761800000000 ] - [ 0.0003897400000000, 0.0000077200000000, 0.0003443400000000 ] - [ -0.0000468100000000, -0.0001947600000000, 0.0002941100000000 ] - [ -0.0001465400000000, 0.0001317000000000, 0.0003031100000000 ] - [ 0.0001899900000000, 0.0000519200000000, 0.0002983500000000 ] - [ 0.0000457800000000, 0.0001903000000000, -0.0002489500000000 ] - [ 0.0001366000000000, -0.0001371300000000, -0.0002425900000000 ] - [ -0.0001853800000000, -0.0000550400000000, -0.0002345400000000 ] - [ -0.0008794900000000, 0.0002414000000000, 0.0001459500000000 ] - [ 0.0006329000000000, 0.0006148800000000, 0.0000802900000000 ] - [ 0.0001891900000000, -0.0008817200000000, 0.0001324500000000 ] - [ 0.0008591100000000, -0.0002366300000000, -0.0000758400000000 ] - [ -0.0006323700000000, -0.0006230600000000, -0.0000773400000000 ] - [ -0.0002267100000000, 0.0008568200000000, -0.0000738100000000 ] - [ -0.0000431300000000, -0.0003895600000000, 0.0000304700000000 ] - [ -0.0003166300000000, 0.0002326700000000, 0.0000331100000000 ] - [ 0.0003637000000000, 0.0001570400000000, 0.0000338600000000 ] - [ 0.0000324900000000, 0.0003850400000000, -0.0000066100000000 ] - [ 0.0003188800000000, -0.0002182500000000, -0.0000057500000000 ] - [ -0.0003605000000000, -0.0001727000000000, 0.0000133500000000 ] - [ 0.0000145300000000, 0.0002731700000000, -0.0000110300000000 ] - [ 0.0000029800000000, -0.0000038500000000, 0.0000800400000000 ] - [ 0.0000798800000000, -0.0002754500000000, 0.0006074100000000 ] - [ -0.0002799400000000, 0.0000651500000000, 0.0006083500000000 ] - [ 0.0001983800000000, 0.0002125200000000, 0.0006076500000000 ] - [ -0.0000677000000000, 0.0002708000000000, -0.0006023900000000 ] - [ 0.0007309400000000, -0.0002765700000000, -0.0014296700000000 ] - [ 0.0000102300000000, -0.0001852100000000, -0.0003499200000000 ] - [ 0.0003160500000000, -0.0003046100000000, 0.0001460600000000 ] - [ -0.0004655700000000, -0.0001445000000000, 0.0002368200000000 ] - [ 0.0001375600000000, 0.0004096900000000, 0.0001741100000000 ] - [ -0.0003115400000000, 0.0002971600000000, -0.0000685200000000 ] - [ 0.0004142900000000, 0.0000916500000000, -0.0000943000000000 ] - [ -0.0001242500000000, -0.0004312600000000, -0.0001228400000000 ] - [ -0.0005740900000000, 0.0008670200000000, -0.0000141500000000 ] - [ -0.0008138000000000, -0.0007107700000000, 0.0004845000000000 ] - [ 0.0003562000000000, -0.0002164300000000, 0.0001667800000000 ] - [ -0.0000747300000000, -0.0002018800000000, 0.0003093500000000 ] - [ -0.0001363900000000, 0.0001623600000000, 0.0003076300000000 ] - [ 0.0002059400000000, 0.0000295500000000, 0.0003081900000000 ] - [ -0.0000791200000000, -0.0002186800000000, 0.0002452400000000 ] - [ -0.0001286600000000, 0.0001723800000000, 0.0002922600000000 ] - [ 0.0002198600000000, 0.0001039500000000, 0.0003023400000000 ] - [ 0.0000592600000000, 0.0001957300000000, -0.0002483400000000 ] - [ 0.0001530000000000, -0.0001351800000000, -0.0002682900000000 ] - [ -0.0002104200000000, -0.0000183200000000, -0.0002188600000000 ] - [ -0.0008425900000000, 0.0002466400000000, 0.0001481700000000 ] - [ 0.0006293400000000, 0.0006047700000000, 0.0001380500000000 ] - [ 0.0002164000000000, -0.0008408600000000, 0.0001267500000000 ] - [ 0.0009676600000000, -0.0000504000000000, 0.0000742400000000 ] - [ -0.0007853900000000, -0.0007644200000000, -0.0002802400000000 ] - [ -0.0001243800000000, 0.0008702200000000, -0.0001224600000000 ] - [ -0.0000011000000000, -0.0004029100000000, 0.0000121400000000 ] - [ -0.0003119700000000, 0.0002238700000000, 0.0000086000000000 ] - [ 0.0003007400000000, 0.0001220700000000, 0.0001605800000000 ] - [ 0.0000058600000000, 0.0003666800000000, 0.0000380800000000 ] - [ 0.0003274900000000, -0.0001907900000000, 0.0000360300000000 ] - [ -0.0003288200000000, -0.0001558800000000, 0.0000107000000000 ] - [ 0.0014537900000000, 0.0024887200000000, 0.0019406200000000 ] - [ -0.0005396200000000, 0.0004953900000000, -0.0005469000000000 ] - [ 0.0001501900000000, -0.0005610500000000, -0.0006650600000000 ] - [ -0.0001017800000000, -0.0006049000000000, -0.0001319200000000 ] - [ -0.0001022800000000, -0.0000182500000000, 0.0002739200000000 ] - [ -0.0001125600000000, 0.0000813200000000, 0.0000809100000000 ] - [ -0.0010351800000000, -0.0005079100000000, 0.0004115900000000 ] - [ 0.0062661600000000, 0.0045968900000000, -0.0003612900000000 ] - [ -0.0001990700000000, 0.0004002800000000, -0.0002933800000000 ] - [ -0.0002590900000000, 0.0008380700000000, 0.0004073700000000 ] - [ 0.0021475800000000, -0.0001594200000000, -0.0021913000000000 ] - [ -0.0051903900000000, -0.0025134100000000, 0.0056246500000000 ] - [ -0.0051792000000000, 0.0023174100000000, -0.0067393700000000 ] - [ -0.0018723300000000, 0.0020235300000000, -0.0011353300000000 ] - [ 0.0052396600000000, -0.0025589300000000, -0.0022647100000000 ] - [ 0.0002730400000000, -0.0003837900000000, 0.0000386100000000 ] - [ -0.0010642200000000, -0.0002091000000000, 0.0002811600000000 ] - [ -0.0003953100000000, 0.0005315000000000, -0.0005668000000000 ] - [ 0.0700454500000000, 0.0187415200000000, 0.0066230200000000 ] - [ -0.0010431400000000, 0.0001068300000000, -0.0000007400000000 ] - [ 0.0000864600000000, 0.0005396900000000, 0.0002351700000000 ] - [ 0.0023397400000000, -0.0065368900000000, -0.0059602000000000 ] - [ -0.0011818200000000, -0.0001095300000000, 0.0007183000000000 ] - [ -0.0003953000000000, 0.0005577000000000, 0.0004880200000000 ] - [ 0.0001246000000000, 0.0000393700000000, -0.0002348900000000 ] - [ -0.0001133700000000, 0.0001080200000000, -0.0001207600000000 ] - [ 0.0003475000000000, 0.0000398300000000, -0.0001915200000000 ] - [ 0.0000272300000000, 0.0000336800000000, 0.0001092200000000 ] - [ 0.0000222000000000, -0.0000409900000000, 0.0001092600000000 ] - [ -0.0000399300000000, 0.0000066700000000, 0.0001047700000000 ] - [ -0.0000066000000000, -0.0003197100000000, -0.0001902000000000 ] - [ -0.0002796900000000, 0.0001540800000000, -0.0001879300000000 ] - [ 0.0002656100000000, 0.0001789400000000, -0.0001904200000000 ] - [ 0.0000042700000000, 0.0003293600000000, 0.0001264700000000 ] - [ 0.0002746700000000, -0.0001604600000000, 0.0001150800000000 ] - [ -0.0002664100000000, -0.0001817000000000, 0.0001208300000000 ] - [ -0.0006069300000000, -0.0003444200000000, -0.0002764900000000 ] - [ 0.0000751100000000, 0.0007460100000000, -0.0002139900000000 ] - [ 0.0006120500000000, -0.0004103300000000, -0.0002950600000000 ] - [ 0.0006244800000000, 0.0002947500000000, 0.0002116100000000 ] - [ -0.0000589600000000, -0.0006819000000000, 0.0002135200000000 ] - [ -0.0005670200000000, 0.0003948200000000, 0.0002076800000000 ] - [ 0.0001903900000000, 0.0002984300000000, -0.0001979900000000 ] - [ 0.0001424100000000, -0.0002931300000000, -0.0001787900000000 ] - [ -0.0003265700000000, 0.0000350500000000, -0.0001982300000000 ] - [ -0.0001933900000000, -0.0002850900000000, 0.0001016000000000 ] - [ -0.0001519600000000, 0.0003072800000000, 0.0001061100000000 ] - [ 0.0003493200000000, -0.0000175300000000, 0.0000991300000000 ] - [ -0.0000227600000000, 0.0000651300000000, -0.0001908600000000 ] - [ 0.0000769500000000, -0.0000229600000000, -0.0001860200000000 ] - [ -0.0000599100000000, -0.0000658100000000, -0.0001822400000000 ] - [ -0.0004248400000000, -0.0000915900000000, -0.0001155800000000 ] - [ -0.0001844900000000, 0.0006741300000000, 0.0005890600000000 ] - [ -0.0010381400000000, 0.0001413700000000, 0.0001446900000000 ] - [ -0.0000902800000000, -0.0003321200000000, -0.0001849400000000 ] - [ -0.0002830600000000, 0.0001923900000000, -0.0001346900000000 ] - [ 0.0004449300000000, 0.0001066200000000, -0.0002307100000000 ] - [ 0.0000135700000000, 0.0005385900000000, 0.0001595500000000 ] - [ 0.0004221500000000, -0.0002307400000000, 0.0001283400000000 ] - [ -0.0003873600000000, -0.0002407600000000, 0.0001971700000000 ] - [ -0.0006201100000000, 0.0000038600000000, -0.0002480900000000 ] - [ 0.0003230200000000, 0.0005442600000000, -0.0002507200000000 ] - [ 0.0003004300000000, -0.0005511300000000, -0.0002560500000000 ] - [ 0.0011504700000000, 0.0000937800000000, -0.0003541300000000 ] - [ -0.0003542100000000, -0.0005555300000000, 0.0003541200000000 ] - [ -0.0003564000000000, 0.0001125800000000, 0.0005755800000000 ] - [ 0.0002089500000000, 0.0001938400000000, -0.0002563400000000 ] - [ 0.0000808600000000, -0.0002837500000000, -0.0002244700000000 ] - [ -0.0003243400000000, 0.0000396000000000, -0.0002190500000000 ] - [ -0.0002118000000000, -0.0001967700000000, 0.0000405700000000 ] - [ -0.0001080200000000, 0.0003624600000000, 0.0002103100000000 ] - [ 0.0001566600000000, -0.0002064800000000, 0.0002076100000000 ]- atom: 145 displacement: [ -0.0050000000088145, 0.0086602540327554, 0.0000000000000000 ] forces: - [ 0.0001945800000000, 0.0001986200000000, -0.0005521200000000 ] - [ 0.0001716800000000, 0.0001283400000000, 0.0005348400000000 ] - [ -0.0010770100000000, 0.0001946900000000, 0.0006588600000000 ] - [ -0.0007914900000000, 0.0000676300000000, 0.0007802400000000 ] - [ 0.0000002400000000, -0.0000002600000000, -0.0005473400000000 ] - [ 0.0000056100000000, -0.0000164300000000, 0.0004884200000000 ] - [ -0.0000101500000000, -0.0000225300000000, -0.0001280000000000 ] - [ 0.0000020600000000, 0.0000029900000000, 0.0000976000000000 ] - [ 0.0000275500000000, -0.0000279500000000, -0.0006018300000000 ] - [ -0.0000003000000000, 0.0000034300000000, 0.0005051300000000 ] - [ 0.0000052400000000, 0.0000103800000000, -0.0001311300000000 ] - [ 0.0000076500000000, -0.0001245600000000, 0.0001321700000000 ] - [ 0.0006232800000000, -0.0001487100000000, 0.0003877400000000 ] - [ 0.0020464500000000, -0.0009251200000000, 0.0014790000000000 ] - [ -0.0003681300000000, -0.0000690000000000, 0.0005410800000000 ] - [ -0.0002327400000000, -0.0002591700000000, 0.0006898200000000 ] - [ -0.0005343600000000, -0.0007253800000000, -0.0006032300000000 ] - [ -0.0002077300000000, 0.0003688800000000, -0.0006172300000000 ] - [ 0.0003308400000000, -0.0003952500000000, -0.0004239400000000 ] - [ -0.0003196200000000, -0.0004179400000000, -0.0010341600000000 ] - [ -0.0010584700000000, -0.0007688800000000, 0.0004746000000000 ] - [ -0.0005932700000000, -0.0002941100000000, 0.0000171400000000 ] - [ -0.0000524700000000, -0.0011863600000000, 0.0000081600000000 ] - [ -0.0014519900000000, 0.0002177900000000, -0.0001949200000000 ] - [ -0.0000919400000000, -0.0002875900000000, 0.0001483200000000 ] - [ -0.0002235300000000, -0.0018779800000000, -0.0002414300000000 ] - [ 0.0000795300000000, 0.0002469700000000, -0.0002598400000000 ] - [ 0.0001040600000000, -0.0001924600000000, -0.0003043300000000 ] - [ -0.0002283500000000, -0.0001619600000000, -0.0003226900000000 ] - [ 0.0001083900000000, -0.0000803800000000, 0.0001444200000000 ] - [ -0.0002173000000000, 0.0000754400000000, 0.0000946900000000 ] - [ 0.0001308700000000, -0.0003560800000000, 0.0001233900000000 ] - [ 0.0001134900000000, -0.0000344000000000, 0.0001547200000000 ] - [ 0.0001178200000000, -0.0002694800000000, 0.0002065400000000 ] - [ -0.0271521900000000, 0.0199163300000000, -0.0127477700000000 ] - [ 0.0001073800000000, 0.0004937300000000, -0.0002233600000000 ] - [ 0.0004139700000000, -0.0005744900000000, -0.0003689600000000 ] - [ -0.0112289500000000, 0.0227658700000000, 0.0212514200000000 ] - [ 0.0010981900000000, 0.0077180100000000, -0.0060439300000000 ] - [ 0.0002162800000000, 0.0011439300000000, -0.0003093300000000 ] - [ 0.0003743600000000, -0.0015117800000000, 0.0002316800000000 ] - [ -0.0002581900000000, 0.0011063200000000, 0.0008435700000000 ] - [ -0.0006145900000000, -0.0004909000000000, -0.0001931700000000 ] - [ -0.0000886700000000, 0.0006495700000000, -0.0000497800000000 ] - [ 0.0001924100000000, -0.0005931300000000, -0.0000155400000000 ] - [ 0.0000304900000000, -0.0005408600000000, 0.0007528600000000 ] - [ -0.0006234900000000, 0.0016423200000000, -0.0003737400000000 ] - [ 0.0006985200000000, -0.0000330500000000, -0.0003396400000000 ] - [ 0.0004827600000000, -0.0010551700000000, -0.0000041500000000 ] - [ 0.0099859000000000, 0.0136151900000000, 0.0042312700000000 ] - [ 0.0000027300000000, 0.0000021400000000, -0.0000477500000000 ] - [ -0.0000512800000000, -0.0000356000000000, 0.0000886500000000 ] - [ 0.0001737500000000, -0.0003604700000000, 0.0005430000000000 ] - [ -0.0003329000000000, 0.0002171800000000, 0.0007275500000000 ] - [ 0.0001788300000000, 0.0002197800000000, 0.0006455500000000 ] - [ -0.0000697400000000, 0.0002767700000000, -0.0005476600000000 ] - [ 0.0002726500000000, -0.0000798200000000, -0.0005475000000000 ] - [ -0.0002069900000000, -0.0002011400000000, -0.0005495800000000 ] - [ 0.0002967000000000, -0.0003129000000000, 0.0001503800000000 ] - [ -0.0004239100000000, -0.0001074500000000, 0.0001440100000000 ] - [ 0.0001320000000000, 0.0004199300000000, 0.0001494000000000 ] - [ -0.0002682200000000, 0.0003010800000000, -0.0000932600000000 ] - [ 0.0004124700000000, 0.0001136000000000, -0.0001082200000000 ] - [ -0.0001190800000000, -0.0003983400000000, -0.0000918700000000 ] - [ 0.0000689700000000, 0.0001890800000000, -0.0002525000000000 ] - [ 0.0001308100000000, -0.0001496400000000, -0.0002566100000000 ] - [ -0.0001888300000000, -0.0000265400000000, -0.0002590600000000 ] - [ -0.0000583300000000, -0.0002245300000000, 0.0004718500000000 ] - [ -0.0001990300000000, 0.0003507000000000, 0.0003095300000000 ] - [ 0.0003976300000000, -0.0000099800000000, 0.0004873300000000 ] - [ -0.0000427600000000, -0.0002021100000000, 0.0002861900000000 ] - [ -0.0001399300000000, 0.0001378000000000, 0.0003100000000000 ] - [ 0.0001846400000000, 0.0000554700000000, 0.0003046500000000 ] - [ 0.0000365600000000, 0.0001866900000000, -0.0002729000000000 ] - [ 0.0001329300000000, -0.0001388500000000, -0.0002319800000000 ] - [ -0.0001822500000000, -0.0000537100000000, -0.0002334300000000 ] - [ -0.0008842300000000, 0.0002309900000000, 0.0001473900000000 ] - [ 0.0005943600000000, 0.0005372700000000, -0.0000353400000000 ] - [ 0.0001977500000000, -0.0008983600000000, 0.0001596400000000 ] - [ 0.0008610400000000, -0.0002341900000000, -0.0000695500000000 ] - [ -0.0006297600000000, -0.0006262000000000, -0.0000757900000000 ] - [ -0.0002280400000000, 0.0008605600000000, -0.0000697700000000 ] - [ -0.0000430600000000, -0.0003874300000000, 0.0000304000000000 ] - [ -0.0003155400000000, 0.0002388100000000, 0.0000387500000000 ] - [ 0.0003671500000000, 0.0001574500000000, 0.0000336100000000 ] - [ 0.0000352900000000, 0.0003687300000000, -0.0000125600000000 ] - [ 0.0003373800000000, -0.0002167200000000, 0.0000488700000000 ] - [ -0.0003756200000000, -0.0001748100000000, 0.0000075600000000 ] - [ -0.0000597600000000, -0.0000974600000000, -0.0000889400000000 ] - [ 0.0000059600000000, 0.0000119700000000, 0.0000801200000000 ] - [ 0.0000799800000000, -0.0002748200000000, 0.0005994700000000 ] - [ -0.0002860800000000, 0.0000632400000000, 0.0006077600000000 ] - [ 0.0001994400000000, 0.0002113100000000, 0.0006007100000000 ] - [ 0.0002368000000000, -0.0000691000000000, -0.0008629700000000 ] - [ -0.0000319200000000, 0.0003745500000000, 0.0002411500000000 ] - [ -0.0002566900000000, -0.0001339200000000, -0.0005580400000000 ] - [ 0.0003745700000000, -0.0003239900000000, 0.0001576600000000 ] - [ -0.0004003000000000, -0.0000364900000000, 0.0001206400000000 ] - [ 0.0001154200000000, 0.0004352100000000, 0.0001759600000000 ] - [ -0.0003043800000000, 0.0003263100000000, -0.0000882100000000 ] - [ 0.0004129900000000, 0.0000873200000000, -0.0001093900000000 ] - [ -0.0000910800000000, -0.0004289700000000, -0.0000963400000000 ] - [ 0.0000234000000000, -0.0001162700000000, 0.0000690100000000 ] - [ 0.0001771800000000, 0.0005881900000000, -0.0002446700000000 ] - [ 0.0003557300000000, -0.0001410000000000, 0.0001943600000000 ] - [ -0.0000742800000000, -0.0002003300000000, 0.0003083700000000 ] - [ -0.0001375800000000, 0.0001625400000000, 0.0003047400000000 ] - [ 0.0002115800000000, 0.0000341300000000, 0.0003074100000000 ] - [ -0.0000790300000000, -0.0002170700000000, 0.0001974400000000 ] - [ -0.0001890700000000, 0.0001234000000000, 0.0003284500000000 ] - [ 0.0002207900000000, 0.0000701100000000, 0.0003064900000000 ] - [ 0.0000894500000000, 0.0001811700000000, -0.0002715600000000 ] - [ 0.0001399300000000, -0.0001923700000000, -0.0001859800000000 ] - [ -0.0002145700000000, -0.0000315800000000, -0.0002306900000000 ] - [ -0.0008437300000000, 0.0002444600000000, 0.0001451300000000 ] - [ 0.0006349600000000, 0.0006103100000000, 0.0001285000000000 ] - [ 0.0002157300000000, -0.0008518800000000, 0.0001588000000000 ] - [ 0.0008345400000000, -0.0002752100000000, -0.0000692600000000 ] - [ -0.0007706000000000, -0.0009043600000000, -0.0005188100000000 ] - [ -0.0003326800000000, 0.0007010700000000, 0.0000824800000000 ] - [ -0.0000119200000000, -0.0004482900000000, -0.0000158300000000 ] - [ -0.0002912400000000, 0.0001995900000000, 0.0000572600000000 ] - [ 0.0003043600000000, 0.0001932500000000, -0.0000177700000000 ] - [ 0.0000298600000000, 0.0003780600000000, 0.0000214400000000 ] - [ 0.0003056400000000, -0.0001926500000000, 0.0000431000000000 ] - [ -0.0003274600000000, -0.0001644900000000, 0.0000183200000000 ] - [ -0.0008766900000000, -0.0034760700000000, -0.0004308900000000 ] - [ 0.0001439000000000, -0.0002950600000000, 0.0001249600000000 ] - [ -0.0001608300000000, 0.0002236900000000, -0.0003655800000000 ] - [ -0.0000867100000000, -0.0008772800000000, 0.0000030300000000 ] - [ -0.0000868000000000, -0.0000392300000000, 0.0002018300000000 ] - [ -0.0000942600000000, 0.0001594000000000, 0.0000152000000000 ] - [ -0.0004066700000000, 0.0003905400000000, -0.0008843900000000 ] - [ 0.0031529300000000, 0.0076048900000000, -0.0029256200000000 ] - [ 0.0008493800000000, -0.0003890600000000, 0.0004938300000000 ] - [ -0.0004138800000000, 0.0015169100000000, -0.0001132400000000 ] - [ 0.0037464900000000, 0.0053086100000000, -0.0005285700000000 ] - [ 0.0005413900000000, -0.0006811300000000, -0.0005151800000000 ] - [ -0.0014500600000000, -0.0039806600000000, -0.0004030600000000 ] - [ -0.0020446200000000, 0.0025026100000000, -0.0011848600000000 ] - [ 0.0015153200000000, 0.0019727500000000, -0.0031584700000000 ] - [ 0.0006796700000000, -0.0008623500000000, 0.0002665300000000 ] - [ -0.0009054900000000, 0.0000145500000000, 0.0000668300000000 ] - [ -0.0000686700000000, 0.0002805900000000, -0.0007693800000000 ] - [ 0.0191815300000000, -0.0603417400000000, 0.0013546400000000 ] - [ -0.0004744100000000, -0.0005933100000000, 0.0000873200000000 ] - [ -0.0008021600000000, 0.0010114700000000, 0.0004011200000000 ] - [ 0.0065374200000000, -0.0110302300000000, -0.0028465300000000 ] - [ -0.0004590700000000, 0.0002595400000000, 0.0002758700000000 ] - [ -0.0004380500000000, 0.0007852300000000, 0.0004079900000000 ] - [ 0.0001271600000000, -0.0000756500000000, -0.0001948000000000 ] - [ -0.0001332100000000, 0.0004799400000000, 0.0000524100000000 ] - [ 0.0002212400000000, 0.0000096300000000, -0.0002950400000000 ] - [ 0.0000280000000000, 0.0000354600000000, 0.0001012200000000 ] - [ 0.0000162000000000, -0.0000310900000000, 0.0001006600000000 ] - [ -0.0000337100000000, 0.0000028200000000, 0.0001027200000000 ] - [ -0.0000144200000000, -0.0003285800000000, -0.0001924400000000 ] - [ -0.0002750800000000, 0.0001425200000000, -0.0001962100000000 ] - [ 0.0002640400000000, 0.0001897100000000, -0.0001875600000000 ] - [ 0.0000065900000000, 0.0003437500000000, 0.0001269900000000 ] - [ 0.0002584200000000, -0.0001400500000000, 0.0000991800000000 ] - [ -0.0002524600000000, -0.0001924200000000, 0.0001227000000000 ] - [ -0.0005613400000000, -0.0003101000000000, -0.0002604900000000 ] - [ 0.0000730700000000, 0.0007889700000000, -0.0002033400000000 ] - [ 0.0006207000000000, -0.0003395400000000, -0.0003536700000000 ] - [ 0.0006220500000000, 0.0002911900000000, 0.0002083100000000 ] - [ -0.0000631300000000, -0.0006840500000000, 0.0002072000000000 ] - [ -0.0005669400000000, 0.0003929200000000, 0.0002026300000000 ] - [ 0.0002089200000000, 0.0002942100000000, -0.0002129500000000 ] - [ 0.0001238400000000, -0.0002342000000000, -0.0001338500000000 ] - [ -0.0003336600000000, 0.0000239900000000, -0.0002156800000000 ] - [ -0.0001954600000000, -0.0002898000000000, 0.0000927600000000 ] - [ -0.0001545800000000, 0.0003056900000000, 0.0001090600000000 ] - [ 0.0003491700000000, -0.0000204200000000, 0.0000902900000000 ] - [ -0.0000155000000000, 0.0000700100000000, -0.0001899600000000 ] - [ 0.0000760400000000, -0.0000276100000000, -0.0001791500000000 ] - [ -0.0000487700000000, -0.0000626900000000, -0.0001897800000000 ] - [ 0.0004131800000000, -0.0001153200000000, 0.0001235500000000 ] - [ -0.0000170500000000, 0.0015688700000000, 0.0010195900000000 ] - [ 0.0009833700000000, 0.0007926800000000, -0.0007589900000000 ] - [ -0.0000328900000000, -0.0003123300000000, -0.0001530700000000 ] - [ -0.0003623000000000, 0.0002547900000000, -0.0002216500000000 ] - [ 0.0003800700000000, 0.0000554000000000, -0.0001546000000000 ] - [ -0.0000979800000000, 0.0004911800000000, 0.0001464400000000 ] - [ 0.0004417200000000, -0.0002536600000000, 0.0001582700000000 ] - [ -0.0004167400000000, -0.0002423100000000, 0.0001880600000000 ] - [ -0.0006305500000000, -0.0000017600000000, -0.0002489400000000 ] - [ 0.0003089500000000, 0.0005266600000000, -0.0002536100000000 ] - [ 0.0003002800000000, -0.0005582400000000, -0.0002591300000000 ] - [ 0.0007772700000000, 0.0000491500000000, 0.0003273100000000 ] - [ -0.0002247900000000, -0.0003000100000000, 0.0004311500000000 ] - [ -0.0002751300000000, 0.0005945400000000, 0.0001638900000000 ] - [ 0.0002011500000000, 0.0002049200000000, -0.0002458100000000 ] - [ 0.0000691800000000, -0.0002985600000000, -0.0002046200000000 ] - [ -0.0002638500000000, 0.0000978500000000, -0.0002785300000000 ] - [ -0.0001756800000000, -0.0001655500000000, 0.0001252300000000 ] - [ -0.0001250900000000, 0.0004653100000000, 0.0003140400000000 ] - [ 0.0002552500000000, 0.0000008200000000, 0.0000254700000000 ]- atom: 145 displacement: [ 0.0050000000088145, -0.0086602540327554, 0.0000000000000000 ] forces: - [ -0.0001928900000000, -0.0001997300000000, -0.0004998900000000 ] - [ -0.0001718600000000, -0.0001240300000000, 0.0005175500000000 ] - [ 0.0010864900000000, -0.0001936800000000, -0.0008900700000000 ] - [ 0.0007949600000000, -0.0000663800000000, -0.0005535600000000 ] - [ 0.0000007900000000, -0.0000006100000000, -0.0005062900000000 ] - [ -0.0000061200000000, 0.0000171500000000, 0.0005638500000000 ] - [ 0.0000110800000000, 0.0000241600000000, -0.0001038300000000 ] - [ -0.0000025900000000, -0.0000047100000000, 0.0001330700000000 ] - [ -0.0000270300000000, 0.0000259100000000, -0.0004497600000000 ] - [ -0.0000018700000000, -0.0000016600000000, 0.0005453100000000 ] - [ -0.0000029800000000, -0.0000105000000000, -0.0001001300000000 ] - [ -0.0000091600000000, 0.0001237600000000, 0.0001014300000000 ] - [ -0.0006210900000000, 0.0001495600000000, -0.0004973700000000 ] - [ -0.0020181000000000, 0.0009051500000000, -0.0013056800000000 ] - [ 0.0005261500000000, -0.0005038000000000, 0.0006063400000000 ] - [ -0.0003416200000000, 0.0004109600000000, 0.0004584700000000 ] - [ 0.0009592200000000, 0.0011673300000000, 0.0017756300000000 ] - [ 0.0000565500000000, 0.0001746200000000, -0.0005315900000000 ] - [ 0.0002144300000000, 0.0002530300000000, -0.0007243700000000 ] - [ -0.0000741900000000, 0.0000141400000000, -0.0001111700000000 ] - [ 0.0016715400000000, 0.0001325100000000, -0.0002326600000000 ] - [ -0.0002606700000000, 0.0000824300000000, 0.0002206900000000 ] - [ 0.0002987000000000, 0.0020464900000000, 0.0002280200000000 ] - [ 0.0008611600000000, 0.0004044200000000, -0.0000634400000000 ] - [ 0.0009220300000000, 0.0004851500000000, -0.0004016100000000 ] - [ -0.0000214300000000, 0.0010527700000000, -0.0000182000000000 ] - [ 0.0000623000000000, 0.0001529500000000, -0.0002991800000000 ] - [ 0.0001708200000000, -0.0001272000000000, -0.0002548900000000 ] - [ -0.0001788600000000, 0.0000956700000000, -0.0002390100000000 ] - [ -0.0002060900000000, -0.0003054200000000, 0.0004253800000000 ] - [ -0.0000699000000000, 0.0002043700000000, 0.0004771200000000 ] - [ 0.0002508400000000, 0.0004555000000000, 0.0004579500000000 ] - [ -0.0002713700000000, -0.0003843100000000, 0.0003806100000000 ] - [ -0.0004012400000000, 0.0006102000000000, 0.0003319400000000 ] - [ 0.0284872400000000, -0.0204104600000000, 0.0140370000000000 ] - [ 0.0000040300000000, -0.0000599000000000, -0.0003113200000000 ] - [ -0.0000998500000000, 0.0002632700000000, -0.0001712700000000 ] - [ 0.0107279300000000, -0.0223920400000000, -0.0210377700000000 ] - [ -0.0028328200000000, -0.0073456600000000, 0.0063106300000000 ] - [ 0.0010679700000000, 0.0001089200000000, 0.0005138200000000 ] - [ 0.0000704900000000, -0.0002304200000000, -0.0000258500000000 ] - [ 0.0019361100000000, -0.0015903800000000, -0.0010663700000000 ] - [ -0.0006396100000000, -0.0007189200000000, -0.0000282400000000 ] - [ -0.0003365900000000, 0.0010392500000000, -0.0001721800000000 ] - [ -0.0002588600000000, -0.0001340100000000, 0.0000260000000000 ] - [ -0.0006326400000000, 0.0009574800000000, -0.0007367600000000 ] - [ 0.0012952800000000, -0.0013264000000000, 0.0003847200000000 ] - [ -0.0006414500000000, 0.0007848100000000, 0.0003112400000000 ] - [ 0.0001446800000000, 0.0006301800000000, -0.0000254400000000 ] - [ -0.0107046300000000, -0.0138096600000000, -0.0042314000000000 ] - [ -0.0000019400000000, -0.0000019400000000, -0.0000930700000000 ] - [ 0.0000508300000000, 0.0000351900000000, 0.0000530200000000 ] - [ -0.0000186000000000, -0.0002078100000000, 0.0006124600000000 ] - [ -0.0002347800000000, -0.0000669200000000, 0.0004274900000000 ] - [ 0.0002355600000000, 0.0001986800000000, 0.0005069700000000 ] - [ -0.0000850900000000, 0.0002913300000000, -0.0006062300000000 ] - [ 0.0002948200000000, -0.0000716600000000, -0.0006061500000000 ] - [ -0.0002070200000000, -0.0002172800000000, -0.0006017900000000 ] - [ 0.0002922800000000, -0.0003087400000000, 0.0000981900000000 ] - [ -0.0004061100000000, -0.0000888600000000, 0.0001056200000000 ] - [ 0.0001124500000000, 0.0003993100000000, 0.0000974500000000 ] - [ -0.0003199800000000, 0.0003199000000000, -0.0001540900000000 ] - [ 0.0004171800000000, 0.0000822600000000, -0.0001401100000000 ] - [ -0.0001249500000000, -0.0004204400000000, -0.0001538100000000 ] - [ 0.0000723300000000, 0.0001920900000000, -0.0003117200000000 ] - [ 0.0001290700000000, -0.0001608000000000, -0.0003082900000000 ] - [ -0.0002025800000000, -0.0000308900000000, -0.0003094000000000 ] - [ -0.0000830400000000, -0.0001571800000000, 0.0000941100000000 ] - [ -0.0000600700000000, -0.0000401400000000, 0.0002568300000000 ] - [ -0.0000042300000000, 0.0000677400000000, 0.0000835100000000 ] - [ -0.0000531100000000, -0.0001768500000000, 0.0002499200000000 ] - [ -0.0001395400000000, 0.0001316200000000, 0.0002280500000000 ] - [ 0.0001847200000000, 0.0000549800000000, 0.0002326900000000 ] - [ 0.0000595700000000, 0.0001920500000000, -0.0002613100000000 ] - [ 0.0001470900000000, -0.0001305100000000, -0.0003044100000000 ] - [ -0.0001865400000000, -0.0000569700000000, -0.0003024300000000 ] - [ -0.0008464100000000, 0.0002400400000000, 0.0000589100000000 ] - [ 0.0006755400000000, 0.0007210200000000, 0.0002428800000000 ] - [ 0.0002613000000000, -0.0008281100000000, 0.0000472600000000 ] - [ 0.0008697600000000, -0.0002370100000000, -0.0001353800000000 ] - [ -0.0006393200000000, -0.0006317000000000, -0.0001292300000000 ] - [ -0.0002302100000000, 0.0008657100000000, -0.0001355000000000 ] - [ -0.0000264600000000, -0.0003981500000000, -0.0000213100000000 ] - [ -0.0003313800000000, 0.0002136800000000, -0.0000296100000000 ] - [ 0.0003540000000000, 0.0001792900000000, -0.0000224000000000 ] - [ 0.0000339400000000, 0.0004167000000000, 0.0000049900000000 ] - [ 0.0003104000000000, -0.0002353900000000, -0.0000565200000000 ] - [ -0.0003446800000000, -0.0001626900000000, -0.0000175500000000 ] - [ 0.0000659600000000, 0.0000961500000000, -0.0000561500000000 ] - [ -0.0000067000000000, -0.0000123700000000, 0.0000314800000000 ] - [ 0.0000719200000000, -0.0002695500000000, 0.0005508100000000 ] - [ -0.0002595300000000, 0.0000788000000000, 0.0005421800000000 ] - [ 0.0001956100000000, 0.0001922700000000, 0.0005462400000000 ] - [ -0.0003966000000000, 0.0006456900000000, -0.0002811400000000 ] - [ 0.0006064700000000, -0.0005322700000000, -0.0013944100000000 ] - [ -0.0001606700000000, -0.0002859700000000, -0.0005878600000000 ] - [ 0.0002186900000000, -0.0002978700000000, 0.0000980600000000 ] - [ -0.0004335200000000, -0.0001636000000000, 0.0001356300000000 ] - [ 0.0001279900000000, 0.0003898300000000, 0.0000777100000000 ] - [ -0.0003086300000000, 0.0003079800000000, -0.0001500400000000 ] - [ 0.0004422500000000, 0.0001248300000000, -0.0001293800000000 ] - [ -0.0001515400000000, -0.0004214200000000, -0.0001395700000000 ] - [ 0.0000712200000000, 0.0005086400000000, -0.0006439700000000 ] - [ 0.0001083900000000, -0.0008670000000000, -0.0003324600000000 ] - [ -0.0007254800000000, 0.0000437100000000, -0.0007669900000000 ] - [ -0.0000670200000000, -0.0001995400000000, 0.0002514900000000 ] - [ -0.0001375100000000, 0.0001572700000000, 0.0002549200000000 ] - [ 0.0001965800000000, 0.0000323400000000, 0.0002557000000000 ] - [ -0.0000319400000000, -0.0002145700000000, 0.0003373800000000 ] - [ -0.0001269900000000, 0.0001857900000000, 0.0002085100000000 ] - [ 0.0002015300000000, 0.0000529200000000, 0.0002300800000000 ] - [ 0.0000680600000000, 0.0002380200000000, -0.0002649100000000 ] - [ 0.0001431500000000, -0.0001502800000000, -0.0003538000000000 ] - [ -0.0002211000000000, -0.0000445600000000, -0.0003092100000000 ] - [ -0.0008375400000000, 0.0002357700000000, 0.0000771700000000 ] - [ 0.0006201100000000, 0.0006006800000000, 0.0000936700000000 ] - [ 0.0002099200000000, -0.0008382700000000, 0.0000639200000000 ] - [ 0.0008955400000000, -0.0002125600000000, -0.0001381200000000 ] - [ -0.0005099300000000, -0.0003413200000000, 0.0003191900000000 ] - [ -0.0001101500000000, 0.0010343500000000, -0.0002895100000000 ] - [ -0.0000391500000000, -0.0003044200000000, 0.0000385300000000 ] - [ -0.0003407300000000, 0.0002215600000000, -0.0000341100000000 ] - [ 0.0003799000000000, 0.0001445400000000, 0.0000420700000000 ] - [ 0.0000367700000000, 0.0003513000000000, -0.0000317700000000 ] - [ 0.0002960600000000, -0.0002294900000000, -0.0000541100000000 ] - [ -0.0003430500000000, -0.0001483700000000, -0.0000305700000000 ] - [ 0.0004147200000000, 0.0035712500000000, 0.0002758800000000 ] - [ 0.0001235300000000, 0.0006355500000000, -0.0002833900000000 ] - [ 0.0003410600000000, -0.0006298800000000, 0.0002014600000000 ] - [ 0.0001280800000000, 0.0007253100000000, 0.0002930400000000 ] - [ -0.0000777500000000, 0.0000888800000000, 0.0000887100000000 ] - [ 0.0002126900000000, -0.0000217700000000, 0.0002775000000000 ] - [ 0.0004843600000000, -0.0013682100000000, 0.0004689000000000 ] - [ -0.0040107900000000, -0.0071851300000000, 0.0025365600000000 ] - [ -0.0000304000000000, 0.0009154100000000, -0.0009114300000000 ] - [ 0.0005512100000000, -0.0007619300000000, 0.0004030900000000 ] - [ -0.0031732300000000, -0.0057728100000000, 0.0008353300000000 ] - [ -0.0012299500000000, 0.0004247300000000, 0.0007852500000000 ] - [ 0.0001949700000000, 0.0036148300000000, -0.0001373500000000 ] - [ 0.0023631600000000, -0.0012081600000000, 0.0006314700000000 ] - [ -0.0005597800000000, -0.0028979500000000, 0.0025873000000000 ] - [ 0.0005637900000000, 0.0008443100000000, 0.0001572700000000 ] - [ 0.0002741600000000, -0.0010782300000000, 0.0003565600000000 ] - [ -0.0005395400000000, 0.0008060500000000, 0.0011886500000000 ] - [ -0.0196583600000000, 0.0607169700000000, -0.0033236400000000 ] - [ 0.0005478300000000, 0.0000813800000000, -0.0004502400000000 ] - [ 0.0003316400000000, -0.0008245900000000, -0.0007589700000000 ] - [ -0.0069708000000000, 0.0106035300000000, 0.0031974800000000 ] - [ 0.0003028600000000, 0.0002947500000000, 0.0001072000000000 ] - [ 0.0010030700000000, -0.0009276400000000, -0.0000266900000000 ] - [ -0.0001637100000000, 0.0000000000000000, -0.0000888100000000 ] - [ 0.0000806200000000, -0.0004126900000000, -0.0003324600000000 ] - [ -0.0001349800000000, -0.0000092500000000, 0.0000130500000000 ] - [ 0.0000097500000000, 0.0000394700000000, 0.0001805100000000 ] - [ 0.0000369100000000, -0.0000374800000000, 0.0001762100000000 ] - [ -0.0000525700000000, -0.0000027400000000, 0.0001773700000000 ] - [ 0.0000206100000000, -0.0003129500000000, -0.0001131400000000 ] - [ -0.0002795200000000, 0.0001599100000000, -0.0001088600000000 ] - [ 0.0002762600000000, 0.0001644200000000, -0.0001191700000000 ] - [ -0.0000124900000000, 0.0002973800000000, 0.0001763200000000 ] - [ 0.0002965300000000, -0.0001614100000000, 0.0002033200000000 ] - [ -0.0002875600000000, -0.0001613200000000, 0.0001819800000000 ] - [ -0.0006947500000000, -0.0002735800000000, -0.0002328300000000 ] - [ 0.0000520000000000, 0.0005761400000000, -0.0002933100000000 ] - [ 0.0005100700000000, -0.0004552100000000, -0.0001386900000000 ] - [ 0.0006334600000000, 0.0002923600000000, 0.0002832200000000 ] - [ -0.0000618200000000, -0.0006811500000000, 0.0002867000000000 ] - [ -0.0005633800000000, 0.0004017500000000, 0.0002878200000000 ] - [ 0.0001733100000000, 0.0002837500000000, -0.0000808500000000 ] - [ 0.0001840300000000, -0.0003854800000000, -0.0001606800000000 ] - [ -0.0003582100000000, 0.0000166900000000, -0.0000794000000000 ] - [ -0.0001867200000000, -0.0002882600000000, 0.0001984700000000 ] - [ -0.0001522800000000, 0.0003137600000000, 0.0001824500000000 ] - [ 0.0003432700000000, -0.0000207700000000, 0.0002017800000000 ] - [ -0.0000244700000000, 0.0000856200000000, -0.0001075300000000 ] - [ 0.0000881100000000, -0.0000229000000000, -0.0001132500000000 ] - [ -0.0000686300000000, -0.0000747200000000, -0.0001053400000000 ] - [ 0.0000462300000000, 0.0000517600000000, 0.0000412200000000 ] - [ -0.0002565700000000, -0.0019392000000000, -0.0008739300000000 ] - [ -0.0011692700000000, -0.0003877300000000, 0.0009329600000000 ] - [ -0.0001006900000000, -0.0004417500000000, -0.0001311900000000 ] - [ -0.0002146900000000, 0.0002140400000000, -0.0000610600000000 ] - [ 0.0003254300000000, 0.0001998000000000, -0.0001321400000000 ] - [ 0.0000230600000000, 0.0004825100000000, 0.0002686400000000 ] - [ 0.0004252000000000, -0.0001861600000000, 0.0002563300000000 ] - [ -0.0004037200000000, -0.0002841400000000, 0.0002278100000000 ] - [ -0.0006119000000000, 0.0000156100000000, -0.0001752900000000 ] - [ 0.0003208800000000, 0.0005390300000000, -0.0001720200000000 ] - [ 0.0003108600000000, -0.0005306300000000, -0.0001637600000000 ] - [ 0.0004860900000000, 0.0002811100000000, 0.0002162400000000 ] - [ -0.0001299100000000, -0.0009684400000000, 0.0001060300000000 ] - [ -0.0006465200000000, 0.0003465800000000, 0.0003793700000000 ] - [ 0.0002183900000000, 0.0002250700000000, -0.0001342200000000 ] - [ 0.0000868700000000, -0.0002577800000000, -0.0001783000000000 ] - [ -0.0003021600000000, 0.0000494100000000, -0.0001045200000000 ] - [ -0.0002255600000000, -0.0001577200000000, 0.0002430100000000 ] - [ 0.0000496900000000, 0.0000392800000000, 0.0000528600000000 ] - [ 0.0002195400000000, -0.0001814700000000, 0.0003429500000000 ]- atom: 145 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001363500000000, -0.0000483200000000, -0.0004677000000000 ] - [ -0.0000760900000000, 0.0002542900000000, -0.0000645400000000 ] - [ -0.0001216600000000, 0.0002122600000000, -0.0014150900000000 ] - [ -0.0008007800000000, 0.0000713200000000, 0.0006730200000000 ] - [ 0.0000012200000000, -0.0000007600000000, -0.0003372500000000 ] - [ 0.0000191000000000, -0.0000134800000000, 0.0007144600000000 ] - [ -0.0000319800000000, 0.0000189000000000, 0.0000671100000000 ] - [ 0.0000009200000000, 0.0000007000000000, 0.0002956200000000 ] - [ 0.0000851000000000, -0.0000681600000000, -0.0003079100000000 ] - [ 0.0000070200000000, 0.0000000700000000, 0.0007144400000000 ] - [ 0.0000049200000000, 0.0000048700000000, 0.0000647800000000 ] - [ -0.0001679300000000, 0.0000580300000000, 0.0003006600000000 ] - [ -0.0003677700000000, 0.0002098800000000, -0.0001699400000000 ] - [ -0.0019124400000000, 0.0008904200000000, -0.0001435900000000 ] - [ 0.0008176100000000, -0.0004851300000000, 0.0006729300000000 ] - [ -0.0003348300000000, -0.0000924600000000, 0.0010913800000000 ] - [ -0.0001643600000000, -0.0018057500000000, -0.0005938000000000 ] - [ 0.0000462900000000, 0.0003287100000000, -0.0007878600000000 ] - [ 0.0003246700000000, 0.0000280300000000, -0.0007778200000000 ] - [ -0.0003043200000000, -0.0005680200000000, -0.0009831900000000 ] - [ 0.0015603800000000, 0.0004822000000000, 0.0006738900000000 ] - [ -0.0006420400000000, -0.0001707200000000, 0.0007597200000000 ] - [ -0.0004084200000000, -0.0016261300000000, 0.0006820300000000 ] - [ -0.0013229100000000, -0.0008155700000000, 0.0010745100000000 ] - [ -0.0007533200000000, -0.0006869000000000, 0.0016522700000000 ] - [ 0.0003741900000000, 0.0007949200000000, 0.0005901500000000 ] - [ 0.0001679000000000, 0.0003714400000000, -0.0005941000000000 ] - [ -0.0000164500000000, -0.0001574700000000, -0.0006010900000000 ] - [ -0.0002501800000000, -0.0001268700000000, -0.0004982700000000 ] - [ 0.0002901900000000, 0.0009142400000000, -0.0007241600000000 ] - [ -0.0000937400000000, 0.0002293700000000, 0.0008451600000000 ] - [ 0.0000541700000000, -0.0003103400000000, 0.0001942100000000 ] - [ -0.0002711200000000, -0.0002648400000000, 0.0009551500000000 ] - [ -0.0005791900000000, 0.0003405800000000, 0.0010346000000000 ] - [ 0.0159565400000000, -0.0091588000000000, 0.0121890600000000 ] - [ -0.0003660300000000, 0.0003036900000000, 0.0006377100000000 ] - [ 0.0004006800000000, -0.0000775800000000, 0.0004957500000000 ] - [ -0.0110374800000000, 0.0200594900000000, 0.0274157200000000 ] - [ -0.0202339000000000, -0.0182684900000000, 0.0298396000000000 ] - [ 0.0002417500000000, 0.0006569500000000, 0.0006694200000000 ] - [ 0.0001961700000000, -0.0006409600000000, 0.0008540700000000 ] - [ 0.0003280700000000, 0.0001144500000000, -0.0012388600000000 ] - [ -0.0009149500000000, -0.0006195400000000, -0.0000970100000000 ] - [ -0.0002914400000000, 0.0009993300000000, -0.0000457400000000 ] - [ -0.0001413900000000, -0.0006848400000000, 0.0003692400000000 ] - [ -0.0004388800000000, 0.0007188900000000, -0.0000888600000000 ] - [ -0.0008764200000000, 0.0000514800000000, -0.0006569600000000 ] - [ -0.0008344500000000, 0.0006974800000000, 0.0009377000000000 ] - [ 0.0003053800000000, 0.0005434600000000, 0.0022737500000000 ] - [ 0.0118160400000000, 0.0113431000000000, 0.0098217500000000 ] - [ 0.0000000900000000, 0.0000001100000000, -0.0002844100000000 ] - [ 0.0000161800000000, 0.0000012500000000, -0.0001440900000000 ] - [ 0.0000747200000000, -0.0002935500000000, 0.0003532400000000 ] - [ -0.0000447100000000, 0.0001081500000000, 0.0001341700000000 ] - [ 0.0002084100000000, 0.0001607500000000, 0.0003976800000000 ] - [ -0.0001526200000000, 0.0003476800000000, -0.0008528800000000 ] - [ 0.0003733200000000, -0.0000402800000000, -0.0008481200000000 ] - [ -0.0002231600000000, -0.0003051100000000, -0.0008472700000000 ] - [ 0.0002265600000000, -0.0002455800000000, -0.0001001100000000 ] - [ -0.0003313700000000, -0.0000808700000000, -0.0000986700000000 ] - [ 0.0000975800000000, 0.0003247400000000, -0.0001071300000000 ] - [ -0.0003568400000000, 0.0003762300000000, -0.0003567800000000 ] - [ 0.0004988800000000, 0.0001190400000000, -0.0003519100000000 ] - [ -0.0001448000000000, -0.0004948200000000, -0.0003453900000000 ] - [ 0.0001000200000000, 0.0002206200000000, -0.0005282500000000 ] - [ 0.0001441800000000, -0.0001927800000000, -0.0005332100000000 ] - [ -0.0002338900000000, -0.0000235100000000, -0.0005354200000000 ] - [ -0.0001280500000000, 0.0000033800000000, 0.0001204200000000 ] - [ -0.0002894800000000, 0.0001240600000000, -0.0000431900000000 ] - [ 0.0000956800000000, 0.0000360100000000, 0.0001268900000000 ] - [ -0.0000125700000000, -0.0001779400000000, -0.0000169700000000 ] - [ -0.0001306400000000, 0.0001127500000000, -0.0000187400000000 ] - [ 0.0001497000000000, 0.0000766200000000, -0.0000074500000000 ] - [ 0.0000720400000000, 0.0002035000000000, -0.0005697600000000 ] - [ 0.0001491600000000, -0.0001650600000000, -0.0005453900000000 ] - [ -0.0002170000000000, -0.0000337500000000, -0.0005432200000000 ] - [ -0.0008738000000000, 0.0002401900000000, -0.0001715100000000 ] - [ 0.0005864700000000, 0.0005335200000000, -0.0002673400000000 ] - [ 0.0002536900000000, -0.0008241500000000, -0.0001856400000000 ] - [ 0.0008967400000000, -0.0002409300000000, -0.0003892900000000 ] - [ -0.0006545100000000, -0.0006530400000000, -0.0003931000000000 ] - [ -0.0002397800000000, 0.0008957900000000, -0.0003970200000000 ] - [ 0.0000796100000000, -0.0004085700000000, -0.0002606700000000 ] - [ -0.0003887100000000, 0.0001404600000000, -0.0002520000000000 ] - [ 0.0003192900000000, 0.0002735600000000, -0.0002544300000000 ] - [ 0.0001515900000000, 0.0003690800000000, -0.0002689400000000 ] - [ 0.0002526800000000, -0.0003103700000000, -0.0002578400000000 ] - [ -0.0004148900000000, -0.0000759700000000, -0.0002546100000000 ] - [ 0.0001874400000000, 0.0001886000000000, -0.0002825900000000 ] - [ 0.0000065500000000, -0.0000034400000000, -0.0001590700000000 ] - [ -0.0000054000000000, -0.0002098200000000, 0.0002988900000000 ] - [ -0.0001800200000000, 0.0001053900000000, 0.0003042500000000 ] - [ 0.0001808000000000, 0.0001103800000000, 0.0003027400000000 ] - [ 0.0000986900000000, 0.0000774000000000, -0.0008138200000000 ] - [ 0.0010108400000000, -0.0001013500000000, -0.0016524400000000 ] - [ -0.0001785800000000, -0.0002499100000000, -0.0004063300000000 ] - [ 0.0002585100000000, -0.0002282900000000, -0.0001128300000000 ] - [ -0.0003451700000000, -0.0001012500000000, -0.0000894100000000 ] - [ 0.0001119300000000, 0.0003158300000000, -0.0000869600000000 ] - [ -0.0003959500000000, 0.0003789800000000, -0.0003311800000000 ] - [ 0.0004967000000000, 0.0001079500000000, -0.0003156200000000 ] - [ -0.0001436600000000, -0.0005167800000000, -0.0003698200000000 ] - [ -0.0004615000000000, 0.0013605800000000, 0.0000345900000000 ] - [ -0.0009470700000000, -0.0006654000000000, -0.0010551300000000 ] - [ -0.0002873800000000, -0.0000015400000000, -0.0001616100000000 ] - [ -0.0000452600000000, -0.0001702500000000, 0.0000332500000000 ] - [ -0.0001241200000000, 0.0001213100000000, 0.0000311900000000 ] - [ 0.0001647900000000, 0.0000414700000000, 0.0000307100000000 ] - [ -0.0000380900000000, -0.0002133300000000, -0.0000696700000000 ] - [ -0.0001170900000000, 0.0001422000000000, 0.0000021000000000 ] - [ 0.0001693900000000, 0.0001002800000000, 0.0000172000000000 ] - [ 0.0001188500000000, 0.0002002500000000, -0.0005641300000000 ] - [ 0.0001817800000000, -0.0001538300000000, -0.0005757700000000 ] - [ -0.0002751900000000, 0.0000000200000000, -0.0005313900000000 ] - [ -0.0008100600000000, 0.0002368300000000, -0.0001694400000000 ] - [ 0.0006113000000000, 0.0005779300000000, -0.0001821500000000 ] - [ 0.0002099400000000, -0.0008047100000000, -0.0001958300000000 ] - [ 0.0008140000000000, -0.0000814600000000, -0.0002265900000000 ] - [ -0.0007896000000000, -0.0008558800000000, -0.0004902300000000 ] - [ 0.0000272900000000, 0.0010175200000000, -0.0004400300000000 ] - [ 0.0000970300000000, -0.0004129100000000, -0.0001776000000000 ] - [ -0.0003797500000000, 0.0001562900000000, -0.0002196500000000 ] - [ 0.0002164400000000, 0.0001757100000000, -0.0001480800000000 ] - [ 0.0001578500000000, 0.0003452700000000, -0.0002833900000000 ] - [ 0.0002504700000000, -0.0002863800000000, -0.0002495300000000 ] - [ -0.0003762700000000, -0.0000447200000000, -0.0002722000000000 ] - [ -0.0001019700000000, 0.0031923000000000, 0.0064015800000000 ] - [ -0.0000612500000000, 0.0004515700000000, -0.0000069200000000 ] - [ 0.0000973900000000, -0.0007679200000000, -0.0010704600000000 ] - [ 0.0001420200000000, 0.0002655100000000, 0.0009223100000000 ] - [ -0.0001552400000000, 0.0000807500000000, 0.0003961200000000 ] - [ 0.0000997000000000, -0.0000625800000000, 0.0002819100000000 ] - [ 0.0001807600000000, 0.0004820600000000, -0.0021731400000000 ] - [ -0.0032756400000000, -0.0053158600000000, 0.0006658500000000 ] - [ 0.0013284000000000, 0.0007109700000000, -0.0011637300000000 ] - [ -0.0000942800000000, -0.0002531900000000, -0.0007022200000000 ] - [ 0.0048446700000000, 0.0059338400000000, -0.0042155200000000 ] - [ -0.0000974300000000, -0.0008677800000000, -0.0045530800000000 ] - [ 0.0025560900000000, 0.0009296700000000, 0.0009370500000000 ] - [ 0.0014770600000000, -0.0000506600000000, -0.0002491900000000 ] - [ 0.0046264000000000, -0.0073381900000000, -0.0004161100000000 ] - [ 0.0011266100000000, -0.0003835800000000, 0.0008934500000000 ] - [ 0.0001196700000000, -0.0007387200000000, 0.0003790200000000 ] - [ 0.0002029700000000, -0.0001480900000000, 0.0005181800000000 ] - [ -0.0069385700000000, -0.0017992400000000, -0.0931846200000000 ] - [ 0.0006179200000000, -0.0001045800000000, -0.0019199100000000 ] - [ -0.0003212100000000, -0.0001720400000000, -0.0019173200000000 ] - [ 0.0059771600000000, -0.0001436500000000, 0.0121496500000000 ] - [ 0.0001392800000000, 0.0004943200000000, -0.0003012700000000 ] - [ 0.0007214100000000, -0.0004237200000000, -0.0003010000000000 ] - [ 0.0000692100000000, -0.0000610300000000, 0.0000909900000000 ] - [ -0.0000114800000000, 0.0003908200000000, 0.0003466800000000 ] - [ -0.0003324600000000, -0.0000894800000000, 0.0002472600000000 ] - [ -0.0000102200000000, 0.0000990400000000, 0.0004987900000000 ] - [ 0.0000939200000000, -0.0000421700000000, 0.0005013500000000 ] - [ -0.0000773400000000, -0.0000577000000000, 0.0005003000000000 ] - [ -0.0000041300000000, -0.0002749000000000, 0.0002040600000000 ] - [ -0.0002269000000000, 0.0001264900000000, 0.0001845800000000 ] - [ 0.0002341000000000, 0.0001524800000000, 0.0001984000000000 ] - [ -0.0000125600000000, 0.0003774500000000, 0.0004956900000000 ] - [ 0.0003223300000000, -0.0001762100000000, 0.0005034000000000 ] - [ -0.0002909200000000, -0.0002056700000000, 0.0005017800000000 ] - [ -0.0005867800000000, -0.0002774200000000, 0.0001006300000000 ] - [ 0.0000134600000000, 0.0006653000000000, 0.0001018600000000 ] - [ 0.0006142400000000, -0.0003861700000000, 0.0001851700000000 ] - [ 0.0006434300000000, 0.0002786300000000, 0.0006141500000000 ] - [ -0.0000821100000000, -0.0006866200000000, 0.0006213700000000 ] - [ -0.0005624300000000, 0.0004156300000000, 0.0006117600000000 ] - [ 0.0002556000000000, 0.0002620700000000, 0.0002891700000000 ] - [ 0.0000668600000000, -0.0002894800000000, 0.0003292300000000 ] - [ -0.0003645500000000, 0.0000464700000000, 0.0003250400000000 ] - [ -0.0001442500000000, -0.0003225300000000, 0.0005958600000000 ] - [ -0.0002091000000000, 0.0002844800000000, 0.0006066200000000 ] - [ 0.0003400100000000, 0.0000253300000000, 0.0006069100000000 ] - [ -0.0000512700000000, 0.0001329700000000, 0.0002081000000000 ] - [ 0.0001490600000000, -0.0000276000000000, 0.0002145600000000 ] - [ -0.0001066300000000, -0.0001270000000000, 0.0002179300000000 ] - [ 0.0003794300000000, -0.0000226200000000, -0.0002143200000000 ] - [ 0.0003074800000000, 0.0014175300000000, 0.0014412600000000 ] - [ -0.0027200300000000, -0.0003031200000000, 0.0017102600000000 ] - [ -0.0001150600000000, -0.0003097300000000, 0.0001852700000000 ] - [ -0.0002506900000000, 0.0001675900000000, 0.0002221500000000 ] - [ 0.0004080000000000, 0.0001233800000000, 0.0001924200000000 ] - [ -0.0000508300000000, 0.0005274600000000, 0.0005892000000000 ] - [ 0.0004958500000000, -0.0002642000000000, 0.0005050000000000 ] - [ -0.0004124100000000, -0.0002582500000000, 0.0005760900000000 ] - [ -0.0006057500000000, -0.0000044400000000, 0.0001584600000000 ] - [ 0.0002855100000000, 0.0005309100000000, 0.0001677900000000 ] - [ 0.0003014100000000, -0.0005324400000000, 0.0001531800000000 ] - [ 0.0010529900000000, 0.0004617100000000, 0.0001947000000000 ] - [ -0.0004148100000000, -0.0008022900000000, 0.0004631200000000 ] - [ -0.0001831600000000, 0.0002975700000000, 0.0011535500000000 ] - [ 0.0002590200000000, 0.0001675400000000, 0.0002458600000000 ] - [ 0.0000098300000000, -0.0002952600000000, 0.0002810500000000 ] - [ -0.0003265000000000, 0.0000833400000000, 0.0002850500000000 ] - [ -0.0000548300000000, -0.0001449600000000, 0.0004873700000000 ] - [ -0.0001967600000000, 0.0003675600000000, 0.0007193500000000 ] - [ 0.0001299600000000, -0.0001792300000000, 0.0007206400000000 ]- atom: 145 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001342400000000, 0.0000462300000000, -0.0005783300000000 ] - [ 0.0000762400000000, -0.0002515700000000, 0.0011099600000000 ] - [ 0.0001247000000000, -0.0002082500000000, 0.0011874000000000 ] - [ 0.0008036800000000, -0.0000694700000000, -0.0004489600000000 ] - [ -0.0000004200000000, 0.0000005900000000, -0.0007115700000000 ] - [ -0.0000198100000000, 0.0000149400000000, 0.0003340300000000 ] - [ 0.0000327700000000, -0.0000165200000000, -0.0002939500000000 ] - [ -0.0000016400000000, -0.0000017500000000, -0.0000691100000000 ] - [ -0.0000857000000000, 0.0000677700000000, -0.0007392900000000 ] - [ -0.0000093900000000, 0.0000024300000000, 0.0003322300000000 ] - [ -0.0000027800000000, -0.0000043100000000, -0.0002908600000000 ] - [ 0.0001659500000000, -0.0000580400000000, -0.0000715200000000 ] - [ 0.0003720000000000, -0.0002102700000000, 0.0000577800000000 ] - [ 0.0019129700000000, -0.0008889800000000, 0.0002935900000000 ] - [ -0.0006604700000000, -0.0000867200000000, 0.0004814700000000 ] - [ -0.0002376900000000, 0.0002440800000000, 0.0000652500000000 ] - [ 0.0005856400000000, 0.0022424700000000, 0.0017661400000000 ] - [ -0.0001974800000000, 0.0002145400000000, -0.0003677700000000 ] - [ 0.0002199100000000, -0.0001685400000000, -0.0003772400000000 ] - [ -0.0000888500000000, 0.0001680100000000, -0.0001650100000000 ] - [ -0.0009453400000000, -0.0011033100000000, -0.0004335300000000 ] - [ -0.0002107700000000, -0.0000426800000000, -0.0005179700000000 ] - [ 0.0006479600000000, 0.0024776900000000, -0.0004418600000000 ] - [ 0.0007262300000000, 0.0014340700000000, -0.0013376400000000 ] - [ 0.0015851500000000, 0.0008894100000000, -0.0019114900000000 ] - [ -0.0006151000000000, -0.0016152200000000, -0.0008471800000000 ] - [ -0.0000250300000000, 0.0000272100000000, 0.0000308000000000 ] - [ 0.0002888500000000, -0.0001613800000000, 0.0000380200000000 ] - [ -0.0001557100000000, 0.0000635600000000, -0.0000674700000000 ] - [ -0.0003882500000000, -0.0012920000000000, 0.0012950100000000 ] - [ -0.0001890100000000, 0.0000517800000000, -0.0002667900000000 ] - [ 0.0003254700000000, 0.0004104500000000, 0.0003904600000000 ] - [ 0.0001122300000000, -0.0001556800000000, -0.0004180100000000 ] - [ 0.0002941300000000, 0.0000051600000000, -0.0004957200000000 ] - [ -0.0151754300000000, 0.0089693700000000, -0.0115417400000000 ] - [ 0.0004795200000000, 0.0001298800000000, -0.0011703700000000 ] - [ -0.0000819500000000, -0.0002336600000000, -0.0010335500000000 ] - [ 0.0103521000000000, -0.0193350700000000, -0.0272257200000000 ] - [ 0.0191849900000000, 0.0195372900000000, -0.0305722500000000 ] - [ 0.0010399600000000, 0.0005917300000000, -0.0004626000000000 ] - [ 0.0002459900000000, -0.0010893500000000, -0.0006448900000000 ] - [ 0.0013464300000000, -0.0005975900000000, 0.0010137700000000 ] - [ -0.0003393400000000, -0.0005873500000000, -0.0001271000000000 ] - [ -0.0001316100000000, 0.0006894200000000, -0.0001790900000000 ] - [ 0.0000772500000000, -0.0000429700000000, -0.0003589600000000 ] - [ -0.0001636100000000, -0.0003009600000000, 0.0001032000000000 ] - [ 0.0015459500000000, 0.0002659800000000, 0.0006690700000000 ] - [ 0.0008839400000000, 0.0000549100000000, -0.0009600600000000 ] - [ 0.0003284900000000, -0.0009674400000000, -0.0022990900000000 ] - [ -0.0125117000000000, -0.0116965600000000, -0.0097121000000000 ] - [ 0.0000005400000000, 0.0000007000000000, 0.0001397200000000 ] - [ -0.0000164300000000, -0.0000007900000000, 0.0002887800000000 ] - [ 0.0000797200000000, -0.0002724400000000, 0.0008080200000000 ] - [ -0.0005225200000000, 0.0000419300000000, 0.0010268900000000 ] - [ 0.0002050400000000, 0.0002580000000000, 0.0007608500000000 ] - [ -0.0000025700000000, 0.0002203300000000, -0.0003079900000000 ] - [ 0.0001931800000000, -0.0001100100000000, -0.0003123000000000 ] - [ -0.0001901600000000, -0.0001128600000000, -0.0003110800000000 ] - [ 0.0003623900000000, -0.0003717300000000, 0.0003508000000000 ] - [ -0.0004958400000000, -0.0001168400000000, 0.0003502600000000 ] - [ 0.0001433600000000, 0.0004936800000000, 0.0003560600000000 ] - [ -0.0002321100000000, 0.0002420700000000, 0.0001064700000000 ] - [ 0.0003280300000000, 0.0000796900000000, 0.0001006000000000 ] - [ -0.0000962200000000, -0.0003225200000000, 0.0000966100000000 ] - [ 0.0000422700000000, 0.0001590800000000, -0.0000399900000000 ] - [ 0.0001132500000000, -0.0001169500000000, -0.0000356600000000 ] - [ -0.0001562400000000, -0.0000309300000000, -0.0000371000000000 ] - [ -0.0000145200000000, -0.0003822200000000, 0.0004483200000000 ] - [ 0.0000325700000000, 0.0001864500000000, 0.0006125400000000 ] - [ 0.0002959200000000, 0.0000199600000000, 0.0004466600000000 ] - [ -0.0000840800000000, -0.0002018000000000, 0.0005526700000000 ] - [ -0.0001502200000000, 0.0001585100000000, 0.0005562800000000 ] - [ 0.0002211600000000, 0.0000351000000000, 0.0005442100000000 ] - [ 0.0000245400000000, 0.0001776100000000, 0.0000350500000000 ] - [ 0.0001316900000000, -0.0001049000000000, 0.0000083200000000 ] - [ -0.0001537300000000, -0.0000765300000000, 0.0000067600000000 ] - [ -0.0008543000000000, 0.0002331200000000, 0.0003797000000000 ] - [ 0.0006832900000000, 0.0007228700000000, 0.0004775300000000 ] - [ 0.0002026300000000, -0.0009000200000000, 0.0003944400000000 ] - [ 0.0008312600000000, -0.0002308900000000, 0.0001814200000000 ] - [ -0.0006148000000000, -0.0006011100000000, 0.0001849200000000 ] - [ -0.0002161800000000, 0.0008296800000000, 0.0001886100000000 ] - [ -0.0001474300000000, -0.0003752400000000, 0.0002693300000000 ] - [ -0.0002582600000000, 0.0003103500000000, 0.0002608300000000 ] - [ 0.0003997800000000, 0.0000650600000000, 0.0002651400000000 ] - [ -0.0000839500000000, 0.0004159700000000, 0.0002608200000000 ] - [ 0.0003945100000000, -0.0001391300000000, 0.0002494200000000 ] - [ -0.0003038600000000, -0.0002614900000000, 0.0002440900000000 ] - [ -0.0001812000000000, -0.0001873400000000, 0.0001331700000000 ] - [ -0.0000074900000000, 0.0000036400000000, 0.0002738200000000 ] - [ 0.0001565800000000, -0.0003326800000000, 0.0008573000000000 ] - [ -0.0003645500000000, 0.0000370500000000, 0.0008513500000000 ] - [ 0.0002131000000000, 0.0002935100000000, 0.0008500500000000 ] - [ -0.0002577200000000, 0.0004983700000000, -0.0003368400000000 ] - [ -0.0004368300000000, -0.0000560000000000, 0.0004896300000000 ] - [ -0.0002379800000000, -0.0001702700000000, -0.0007450300000000 ] - [ 0.0003349200000000, -0.0003892300000000, 0.0003706100000000 ] - [ -0.0004865600000000, -0.0001004700000000, 0.0003480500000000 ] - [ 0.0001282200000000, 0.0005074800000000, 0.0003421400000000 ] - [ -0.0002182800000000, 0.0002525100000000, 0.0000902600000000 ] - [ 0.0003561400000000, 0.0001073500000000, 0.0000738300000000 ] - [ -0.0000960000000000, -0.0003315500000000, 0.0001308100000000 ] - [ 0.0005603900000000, -0.0009696200000000, -0.0006174100000000 ] - [ 0.0012347700000000, 0.0003882400000000, 0.0004797200000000 ] - [ -0.0000902400000000, -0.0000928200000000, -0.0004216800000000 ] - [ -0.0000972100000000, -0.0002268000000000, 0.0005297000000000 ] - [ -0.0001489700000000, 0.0001990000000000, 0.0005314500000000 ] - [ 0.0002416800000000, 0.0000235600000000, 0.0005354500000000 ] - [ -0.0000737200000000, -0.0002190500000000, 0.0006036900000000 ] - [ -0.0002004100000000, 0.0001690900000000, 0.0005340100000000 ] - [ 0.0002545400000000, 0.0000241600000000, 0.0005192400000000 ] - [ 0.0000393500000000, 0.0002213000000000, 0.0000268600000000 ] - [ 0.0001022700000000, -0.0001895600000000, 0.0000353100000000 ] - [ -0.0001621100000000, -0.0000757000000000, -0.0000089800000000 ] - [ -0.0008687900000000, 0.0002457200000000, 0.0003934800000000 ] - [ 0.0006436200000000, 0.0006305000000000, 0.0004064700000000 ] - [ 0.0002128600000000, -0.0008830800000000, 0.0004205100000000 ] - [ 0.0009132900000000, -0.0004064700000000, 0.0000169200000000 ] - [ -0.0004918800000000, -0.0003879400000000, 0.0002850300000000 ] - [ -0.0004686700000000, 0.0007169800000000, 0.0002286000000000 ] - [ -0.0001466400000000, -0.0003371900000000, 0.0002000300000000 ] - [ -0.0002528800000000, 0.0002636300000000, 0.0002422500000000 ] - [ 0.0004658500000000, 0.0001643500000000, 0.0001729700000000 ] - [ -0.0000929100000000, 0.0003835300000000, 0.0002723600000000 ] - [ 0.0003509700000000, -0.0001335300000000, 0.0002380500000000 ] - [ -0.0002927700000000, -0.0002682300000000, 0.0002596400000000 ] - [ -0.0003429800000000, -0.0031207500000000, -0.0066387000000000 ] - [ 0.0003319500000000, -0.0001003700000000, -0.0001561300000000 ] - [ 0.0000822700000000, 0.0003592700000000, 0.0009040500000000 ] - [ -0.0000984700000000, -0.0004133900000000, -0.0006221500000000 ] - [ -0.0000098200000000, -0.0000341200000000, -0.0001013100000000 ] - [ 0.0000149500000000, 0.0002025000000000, 0.0000159300000000 ] - [ -0.0001080900000000, -0.0014557400000000, 0.0017587400000000 ] - [ 0.0024235100000000, 0.0057506200000000, -0.0010853200000000 ] - [ -0.0005052700000000, -0.0001888100000000, 0.0007476600000000 ] - [ 0.0002317200000000, 0.0010066800000000, 0.0009857900000000 ] - [ -0.0042579800000000, -0.0063981400000000, 0.0044954600000000 ] - [ -0.0006157900000000, 0.0006213100000000, 0.0048339500000000 ] - [ -0.0038514900000000, -0.0012726900000000, -0.0014776900000000 ] - [ -0.0011272100000000, 0.0013189000000000, -0.0002954300000000 ] - [ -0.0037001700000000, 0.0064198600000000, -0.0001407000000000 ] - [ 0.0001169200000000, 0.0003694200000000, -0.0004685500000000 ] - [ -0.0007507900000000, -0.0003254600000000, 0.0000471300000000 ] - [ -0.0008128600000000, 0.0012352100000000, -0.0000968000000000 ] - [ 0.0065090700000000, 0.0005892100000000, 0.0927476200000000 ] - [ -0.0005419800000000, -0.0004006800000000, 0.0015468700000000 ] - [ -0.0001550100000000, 0.0003532900000000, 0.0015492800000000 ] - [ -0.0063234400000000, -0.0002669300000000, -0.0116409300000000 ] - [ -0.0002957400000000, 0.0000610800000000, 0.0006854300000000 ] - [ -0.0001574900000000, 0.0002790900000000, 0.0006858200000000 ] - [ -0.0001098900000000, -0.0000156800000000, -0.0003776400000000 ] - [ -0.0000411100000000, -0.0003216100000000, -0.0006302400000000 ] - [ 0.0004220000000000, 0.0000887700000000, -0.0005314900000000 ] - [ 0.0000511400000000, -0.0000214600000000, -0.0002126600000000 ] - [ -0.0000408300000000, -0.0000294400000000, -0.0002207100000000 ] - [ -0.0000125300000000, 0.0000602100000000, -0.0002162200000000 ] - [ 0.0000070300000000, -0.0003660300000000, -0.0005090400000000 ] - [ -0.0003265700000000, 0.0001793200000000, -0.0004891200000000 ] - [ 0.0003078000000000, 0.0001992000000000, -0.0005047000000000 ] - [ 0.0000097800000000, 0.0002646600000000, -0.0001911300000000 ] - [ 0.0002310700000000, -0.0001274100000000, -0.0001994900000000 ] - [ -0.0002513000000000, -0.0001447900000000, -0.0001959800000000 ] - [ -0.0006696800000000, -0.0003074400000000, -0.0005949000000000 ] - [ 0.0001100000000000, 0.0007014500000000, -0.0005991400000000 ] - [ 0.0005179100000000, -0.0004075000000000, -0.0006779000000000 ] - [ 0.0006119500000000, 0.0003071800000000, -0.0001202300000000 ] - [ -0.0000417600000000, -0.0006786800000000, -0.0001252400000000 ] - [ -0.0005694100000000, 0.0003791000000000, -0.0001191900000000 ] - [ 0.0001250500000000, 0.0003156400000000, -0.0005839600000000 ] - [ 0.0002409300000000, -0.0003282200000000, -0.0006251800000000 ] - [ -0.0003260600000000, -0.0000058400000000, -0.0006210900000000 ] - [ -0.0002364800000000, -0.0002539900000000, -0.0003014900000000 ] - [ -0.0000981100000000, 0.0003338800000000, -0.0003117600000000 ] - [ 0.0003508300000000, -0.0000647000000000, -0.0003116700000000 ] - [ 0.0000076100000000, 0.0000217700000000, -0.0005081100000000 ] - [ 0.0000151100000000, -0.0000183100000000, -0.0005093700000000 ] - [ -0.0000079200000000, -0.0000116000000000, -0.0005152600000000 ] - [ 0.0000815200000000, -0.0000366600000000, 0.0003808700000000 ] - [ -0.0005836000000000, -0.0017832900000000, -0.0012920700000000 ] - [ 0.0025267200000000, 0.0007114700000000, -0.0015322800000000 ] - [ -0.0000219100000000, -0.0004435000000000, -0.0004685300000000 ] - [ -0.0003244500000000, 0.0003045900000000, -0.0005037600000000 ] - [ 0.0002996300000000, 0.0001291000000000, -0.0004791300000000 ] - [ -0.0000207300000000, 0.0004472300000000, -0.0001735900000000 ] - [ 0.0003685900000000, -0.0001775500000000, -0.0000892700000000 ] - [ -0.0004103300000000, -0.0002639600000000, -0.0001594600000000 ] - [ -0.0006369700000000, 0.0000175400000000, -0.0005830700000000 ] - [ 0.0003429100000000, 0.0005362500000000, -0.0005936600000000 ] - [ 0.0003108700000000, -0.0005548200000000, -0.0005768100000000 ] - [ 0.0002130800000000, -0.0001317800000000, 0.0003475300000000 ] - [ 0.0000627500000000, -0.0004686200000000, 0.0000770500000000 ] - [ -0.0007387200000000, 0.0006427700000000, -0.0006063300000000 ] - [ 0.0001587200000000, 0.0002621500000000, -0.0006271900000000 ] - [ 0.0001459200000000, -0.0002587400000000, -0.0006650500000000 ] - [ -0.0002382700000000, 0.0000638900000000, -0.0006690000000000 ] - [ -0.0003455200000000, -0.0001770700000000, -0.0001164200000000 ] - [ 0.0001203500000000, 0.0001358600000000, -0.0003491600000000 ] - [ 0.0003434300000000, -0.0000002200000000, -0.0003479400000000 ]