# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/33513f07-1eb2-4bdb-8783-ea041a2feda6/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 K7Th6F31 / R3 (146) / materials id 676801](https://mdr.nims.go.jp/datasets/d47d8ca0-c2d5-4d1d-a85d-b80427a8a363) ## 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: "R3" number: 146 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: - [ 7.644796460000007, 4.413725299999995, 3.526737023333330 ] # a - [ -7.644796469999991, 4.413725289999995, 3.526737023333330 ] # b - [ 0.000000010000008, -8.827450590000003, 3.526737023333330 ] # c points: - symbol: K # 1 coordinates: [ 0.414969720000000, 0.812426360000001, 0.276349000000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.178341660000000, 0.715796920000001, 0.568944680000000 ] mass: 39.098300 - symbol: K # 3 coordinates: [ 0.715796920000000, 0.568944680000001, 0.178341660000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.504456770000000, 0.504456770000002, 0.504456770000000 ] mass: 39.098300 - symbol: K # 5 coordinates: [ 0.276349000000000, 0.414969720000001, 0.812426360000000 ] mass: 39.098300 - symbol: K # 6 coordinates: [ 0.812426360000000, 0.276349000000001, 0.414969720000000 ] mass: 39.098300 - symbol: K # 7 coordinates: [ 0.568944680000000, 0.178341660000002, 0.715796920000000 ] mass: 39.098300 - symbol: Th # 8 coordinates: [ 0.873467390000000, 0.957961500000003, 0.622682380000000 ] mass: 232.038060 - symbol: Th # 9 coordinates: [ 0.622682380000000, 0.873467380000002, 0.957961510000000 ] mass: 232.038060 - symbol: Th # 10 coordinates: [ 0.045558730000000, 0.354675730000000, 0.125746480000000 ] mass: 232.038060 - symbol: Th # 11 coordinates: [ 0.957961510000000, 0.622682370000002, 0.873467390000000 ] mass: 232.038060 - symbol: Th # 12 coordinates: [ 0.354675720000000, 0.125746490000001, 0.045558730000000 ] mass: 232.038060 - symbol: Th # 13 coordinates: [ 0.125746480000000, 0.045558740000000, 0.354675720000000 ] mass: 232.038060 - symbol: F # 14 coordinates: [ 0.044041480000000, 0.790456130000001, 0.149168040000000 ] mass: 18.998403 - symbol: F # 15 coordinates: [ 0.286187870000000, 0.943174660000002, 0.473308140000000 ] mass: 18.998403 - symbol: F # 16 coordinates: [ 0.842296320000000, 0.956165980000002, 0.203045750000000 ] mass: 18.998403 - symbol: F # 17 coordinates: [ 0.436962120000000, 0.974194180000002, 0.851395100000000 ] mass: 18.998403 - symbol: F # 18 coordinates: [ 0.519774090000000, 0.698386590000001, 0.052313850000000 ] mass: 18.998403 - symbol: F # 19 coordinates: [ 0.146730610000000, 0.546591520000001, 0.019500310000000 ] mass: 18.998403 - symbol: F # 20 coordinates: [ 0.203045750000000, 0.842296300000002, 0.956166000000000 ] mass: 18.998403 - symbol: F # 21 coordinates: [ 0.699927640000000, 0.906167150000002, 0.751645740000000 ] mass: 18.998403 - symbol: F # 22 coordinates: [ 0.974194170000000, 0.851395110000002, 0.436962120000000 ] mass: 18.998403 - symbol: F # 23 coordinates: [ 0.662649090000000, 0.735150980000002, 0.425670640000000 ] mass: 18.998403 - symbol: F # 24 coordinates: [ 0.261141940000000, 0.566264080000001, 0.334386340000000 ] mass: 18.998403 - symbol: F # 25 coordinates: [ 0.425670640000000, 0.662649090000002, 0.735150980000000 ] mass: 18.998403 - symbol: F # 26 coordinates: [ 0.052313850000000, 0.519774080000001, 0.698386600000000 ] mass: 18.998403 - symbol: F # 27 coordinates: [ 0.906167170000000, 0.751645720000002, 0.699927640000000 ] mass: 18.998403 - symbol: F # 28 coordinates: [ 0.279002390000000, 0.343052170000001, 0.091620270000000 ] mass: 18.998403 - symbol: F # 29 coordinates: [ 0.751645740000000, 0.699927620000002, 0.906167170000000 ] mass: 18.998403 - symbol: F # 30 coordinates: [ 0.091620270000000, 0.279002390000001, 0.343052170000000 ] mass: 18.998403 - symbol: F # 31 coordinates: [ 0.943174680000000, 0.473308120000002, 0.286187870000000 ] mass: 18.998403 - symbol: F # 32 coordinates: [ 0.566264100000000, 0.334386320000001, 0.261141940000000 ] mass: 18.998403 - symbol: F # 33 coordinates: [ 0.088251520000000, 0.088251520000000, 0.088251520000000 ] mass: 18.998403 - symbol: F # 34 coordinates: [ 0.735150980000000, 0.425670640000002, 0.662649090000000 ] mass: 18.998403 - symbol: F # 35 coordinates: [ 0.334386340000000, 0.261141920000001, 0.566264100000000 ] mass: 18.998403 - symbol: F # 36 coordinates: [ 0.019500310000000, 0.146730600000001, 0.546591530000000 ] mass: 18.998403 - symbol: F # 37 coordinates: [ 0.343052170000000, 0.091620270000001, 0.279002390000000 ] mass: 18.998403 - symbol: F # 38 coordinates: [ 0.790456120000000, 0.149168050000001, 0.044041480000000 ] mass: 18.998403 - symbol: F # 39 coordinates: [ 0.851395100000000, 0.436962130000002, 0.974194170000000 ] mass: 18.998403 - symbol: F # 40 coordinates: [ 0.473308140000000, 0.286187850000002, 0.943174680000000 ] mass: 18.998403 - symbol: F # 41 coordinates: [ 0.546591530000000, 0.019500300000001, 0.146730610000000 ] mass: 18.998403 - symbol: F # 42 coordinates: [ 0.149168040000000, 0.044041490000001, 0.790456120000000 ] mass: 18.998403 - symbol: F # 43 coordinates: [ 0.698386600000000, 0.052313840000001, 0.519774090000000 ] mass: 18.998403 - symbol: F # 44 coordinates: [ 0.956166000000000, 0.203045730000002, 0.842296320000000 ] mass: 18.998403 reciprocal_lattice: # without 2pi - [ 0.065403964919188, 0.037760996857347, 0.094516072825379 ] # a* - [ -0.065403964968583, 0.037760996709164, 0.094516072825379 ] # b* - [ 0.000000000049394, -0.075521993566510, 0.094516072825379 ] # c*unit_cell: lattice: - [ 15.289592930000000, 0.000000010000000, 0.000000000000000 ] # a - [ -7.644796480000000, 13.241175880000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.580211070000001 ] # c points: - symbol: K # 1 coordinates: [ 0.913721360000000, 0.224899360000000, 0.501248360000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.690647240000000, 0.918749740000000, 0.487694420000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.228102500000000, 0.309352760000000, 0.487694420000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.504456770000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.775100640000000, 0.688822000000000, 0.501248360000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.311178000000000, 0.086278640000000, 0.501248360000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 7 coordinates: [ 0.081250260000000, 0.771897500000000, 0.487694420000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 8 coordinates: [ 0.580388020000000, 0.558232690000000, 0.834581700000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 9 coordinates: [ 0.357313910000000, 0.252083070000000, 0.821027760000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 10 coordinates: [ 0.894769160000000, 0.642686090000000, 0.821027760000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 11 coordinates: [ 0.666666670000000, 0.333333330000000, 0.837790100000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 12 coordinates: [ 0.441767310000000, 0.022155330000000, 0.834581700000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 13 coordinates: [ 0.977844670000000, 0.419611980000000, 0.834581700000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 14 coordinates: [ 0.747916930000000, 0.105230840000000, 0.821027760000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 15 coordinates: [ 0.247054690000000, 0.891566030000000, 0.167915030000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 16 coordinates: [ 0.023980580000000, 0.585416410000000, 0.154361090000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 17 coordinates: [ 0.561435830000000, 0.976019420000000, 0.154361090000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.171123430000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 19 coordinates: [ 0.108433970000000, 0.355488660000000, 0.167915030000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 20 coordinates: [ 0.644511340000000, 0.752945310000000, 0.167915030000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 21 coordinates: [ 0.414583590000000, 0.438564170000000, 0.154361090000000 ] mass: 39.098300 reduced_to: 7 - symbol: Th # 22 coordinates: [ 0.055430300000000, 0.195354710000000, 0.818037090000000 ] mass: 232.038060 reduced_to: 22 - symbol: Th # 23 coordinates: [ 0.804645290000000, 0.860075580000000, 0.818037090000000 ] mass: 232.038060 reduced_to: 23 - symbol: Th # 24 coordinates: [ 0.870231750000000, 0.049580500000000, 0.175326980000000 ] mass: 232.038060 reduced_to: 24 - symbol: Th # 25 coordinates: [ 0.139924420000000, 0.944569700000000, 0.818037090000000 ] mass: 232.038060 reduced_to: 25 - symbol: Th # 26 coordinates: [ 0.179348740000000, 0.129768250000000, 0.175326980000000 ] mass: 232.038060 reduced_to: 26 - symbol: Th # 27 coordinates: [ 0.950419500000000, 0.820651260000000, 0.175326980000000 ] mass: 232.038060 reduced_to: 27 - symbol: Th # 28 coordinates: [ 0.722096970000000, 0.528688050000000, 0.151370430000000 ] mass: 232.038060 reduced_to: 22 - symbol: Th # 29 coordinates: [ 0.471311950000000, 0.193408910000000, 0.151370430000000 ] mass: 232.038060 reduced_to: 23 - symbol: Th # 30 coordinates: [ 0.536898410000000, 0.382913830000000, 0.508660320000000 ] mass: 232.038060 reduced_to: 24 - symbol: Th # 31 coordinates: [ 0.806591090000000, 0.277903030000000, 0.151370430000000 ] mass: 232.038060 reduced_to: 25 - symbol: Th # 32 coordinates: [ 0.846015410000000, 0.463101590000000, 0.508660320000000 ] mass: 232.038060 reduced_to: 26 - symbol: Th # 33 coordinates: [ 0.617086170000000, 0.153984590000000, 0.508660320000000 ] mass: 232.038060 reduced_to: 27 - symbol: Th # 34 coordinates: [ 0.388763630000000, 0.862021380000000, 0.484703760000000 ] mass: 232.038060 reduced_to: 22 - symbol: Th # 35 coordinates: [ 0.137978620000000, 0.526742240000000, 0.484703760000000 ] mass: 232.038060 reduced_to: 23 - symbol: Th # 36 coordinates: [ 0.203565080000000, 0.716247160000000, 0.841993650000000 ] mass: 232.038060 reduced_to: 24 - symbol: Th # 37 coordinates: [ 0.473257760000000, 0.611236370000000, 0.484703760000000 ] mass: 232.038060 reduced_to: 25 - symbol: Th # 38 coordinates: [ 0.512682070000000, 0.796434920000000, 0.841993650000000 ] mass: 232.038060 reduced_to: 26 - symbol: Th # 39 coordinates: [ 0.283752840000000, 0.487317930000000, 0.841993650000000 ] mass: 232.038060 reduced_to: 27 - symbol: F # 40 coordinates: [ 0.716152930000000, 0.178720510000000, 0.327888550000000 ] mass: 18.998403 reduced_to: 40 - symbol: F # 41 coordinates: [ 0.718630980000000, 0.094248750000000, 0.567556890000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 42 coordinates: [ 0.175126970000000, 0.464123600000000, 0.667169350000000 ] mass: 18.998403 reduced_to: 42 - symbol: F # 43 coordinates: [ 0.682778320000000, 0.902788700000000, 0.754183800000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 44 coordinates: [ 0.096282580000000, 0.371177660000000, 0.423491510000000 ] mass: 18.998403 reduced_to: 44 - symbol: F # 45 coordinates: [ 0.909123130000000, 0.218107170000000, 0.237607480000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 46 coordinates: [ 0.535876400000000, 0.711003350000000, 0.667169350000000 ] mass: 18.998403 reduced_to: 46 - symbol: F # 47 coordinates: [ 0.914014130000000, 0.034267770000000, 0.785913510000000 ] mass: 18.998403 reduced_to: 47 - symbol: F # 48 coordinates: [ 0.220010370000000, 0.317221680000000, 0.754183800000000 ] mass: 18.998403 reduced_to: 48 - symbol: F # 49 coordinates: [ 0.054825520000000, 0.182152930000000, 0.607823570000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 50 coordinates: [ 0.873877820000000, 0.052877780000000, 0.387264120000000 ] mass: 18.998403 reduced_to: 50 - symbol: F # 51 coordinates: [ 0.817847070000000, 0.872672590000000, 0.607823570000000 ] mass: 18.998403 reduced_to: 51 - symbol: F # 52 coordinates: [ 0.628822340000000, 0.725104910000000, 0.423491510000000 ] mass: 18.998403 reduced_to: 52 - symbol: F # 53 coordinates: [ 0.120253660000000, 0.085985870000000, 0.785913510000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 54 coordinates: [ 0.041110780000000, 0.146271340000000, 0.237891610000000 ] mass: 18.998403 reduced_to: 54 - symbol: F # 55 coordinates: [ 0.965732230000000, 0.879746340000000, 0.785913510000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 56 coordinates: [ 0.853728660000000, 0.894839440000000, 0.237891610000000 ] mass: 18.998403 reduced_to: 56 - symbol: F # 57 coordinates: [ 0.375617790000000, 0.281369020000000, 0.567556890000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 58 coordinates: [ 0.178999980000000, 0.126122180000000, 0.387264120000000 ] mass: 18.998403 reduced_to: 58 - symbol: F # 59 coordinates: [ 0.000000000000000, 0.000000000000000, 0.088251520000000 ] mass: 18.998403 reduced_to: 59 - symbol: F # 60 coordinates: [ 0.127327410000000, 0.945174480000000, 0.607823570000000 ] mass: 18.998403 reduced_to: 60 - symbol: F # 61 coordinates: [ 0.947122220000000, 0.821000020000000, 0.387264120000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 62 coordinates: [ 0.781892830000000, 0.691015950000000, 0.237607480000000 ] mass: 18.998403 reduced_to: 62 - symbol: F # 63 coordinates: [ 0.105160560000000, 0.958889220000000, 0.237891610000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 64 coordinates: [ 0.462567570000000, 0.283847070000000, 0.327888550000000 ] mass: 18.998403 reduced_to: 64 - symbol: F # 65 coordinates: [ 0.097211300000000, 0.779989630000000, 0.754183800000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 66 coordinates: [ 0.905751250000000, 0.624382210000000, 0.567556890000000 ] mass: 18.998403 reduced_to: 66 - symbol: F # 67 coordinates: [ 0.308984050000000, 0.090876870000000, 0.237607480000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 68 coordinates: [ 0.821279490000000, 0.537432430000000, 0.327888550000000 ] mass: 18.998403 reduced_to: 68 - symbol: F # 69 coordinates: [ 0.274895090000000, 0.903717420000000, 0.423491510000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 70 coordinates: [ 0.288996650000000, 0.824873030000000, 0.667169350000000 ] mass: 18.998403 reduced_to: 70 - symbol: F # 71 coordinates: [ 0.382819600000000, 0.512053840000000, 0.661221880000000 ] mass: 18.998403 reduced_to: 40 - symbol: F # 72 coordinates: [ 0.385297640000000, 0.427582090000000, 0.900890230000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 73 coordinates: [ 0.841793640000000, 0.797456930000000, 0.000502690000000 ] mass: 18.998403 reduced_to: 42 - symbol: F # 74 coordinates: [ 0.349444990000000, 0.236122040000000, 0.087517130000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 75 coordinates: [ 0.762949250000000, 0.704511000000000, 0.756824840000000 ] mass: 18.998403 reduced_to: 44 - symbol: F # 76 coordinates: [ 0.575789800000000, 0.551440500000000, 0.570940810000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 77 coordinates: [ 0.202543070000000, 0.044336680000000, 0.000502690000000 ] mass: 18.998403 reduced_to: 46 - symbol: F # 78 coordinates: [ 0.580680790000000, 0.367601110000000, 0.119246850000000 ] mass: 18.998403 reduced_to: 47 - symbol: F # 79 coordinates: [ 0.886677040000000, 0.650555010000000, 0.087517130000000 ] mass: 18.998403 reduced_to: 48 - symbol: F # 80 coordinates: [ 0.721492190000000, 0.515486270000000, 0.941156900000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 81 coordinates: [ 0.540544480000000, 0.386211120000000, 0.720597450000000 ] mass: 18.998403 reduced_to: 50 - symbol: F # 82 coordinates: [ 0.484513730000000, 0.206005920000000, 0.941156900000000 ] mass: 18.998403 reduced_to: 51 - symbol: F # 83 coordinates: [ 0.295489000000000, 0.058438240000000, 0.756824840000000 ] mass: 18.998403 reduced_to: 52 - symbol: F # 84 coordinates: [ 0.786920320000000, 0.419319210000000, 0.119246850000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 85 coordinates: [ 0.707777450000000, 0.479604670000000, 0.571224950000000 ] mass: 18.998403 reduced_to: 54 - symbol: F # 86 coordinates: [ 0.632398890000000, 0.213079680000000, 0.119246850000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 87 coordinates: [ 0.520395330000000, 0.228172770000000, 0.571224950000000 ] mass: 18.998403 reduced_to: 56 - symbol: F # 88 coordinates: [ 0.042284450000000, 0.614702360000000, 0.900890230000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 89 coordinates: [ 0.845666650000000, 0.459455520000000, 0.720597450000000 ] mass: 18.998403 reduced_to: 58 - symbol: F # 90 coordinates: [ 0.666666670000000, 0.333333330000000, 0.421584850000000 ] mass: 18.998403 reduced_to: 59 - symbol: F # 91 coordinates: [ 0.793994080000000, 0.278507810000000, 0.941156900000000 ] mass: 18.998403 reduced_to: 60 - symbol: F # 92 coordinates: [ 0.613788880000000, 0.154333350000000, 0.720597450000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 93 coordinates: [ 0.448559500000000, 0.024349290000000, 0.570940810000000 ] mass: 18.998403 reduced_to: 62 - symbol: F # 94 coordinates: [ 0.771827230000000, 0.292222550000000, 0.571224950000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 95 coordinates: [ 0.129234230000000, 0.617180400000000, 0.661221880000000 ] mass: 18.998403 reduced_to: 64 - symbol: F # 96 coordinates: [ 0.763877960000000, 0.113322960000000, 0.087517130000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 97 coordinates: [ 0.572417910000000, 0.957715550000000, 0.900890230000000 ] mass: 18.998403 reduced_to: 66 - symbol: F # 98 coordinates: [ 0.975650710000000, 0.424210200000000, 0.570940810000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 99 coordinates: [ 0.487946160000000, 0.870765770000000, 0.661221880000000 ] mass: 18.998403 reduced_to: 68 - symbol: F # 100 coordinates: [ 0.941561760000000, 0.237050750000000, 0.756824840000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 101 coordinates: [ 0.955663320000000, 0.158206360000000, 0.000502690000000 ] mass: 18.998403 reduced_to: 70 - symbol: F # 102 coordinates: [ 0.049486260000000, 0.845387170000000, 0.994555210000000 ] mass: 18.998403 reduced_to: 40 - symbol: F # 103 coordinates: [ 0.051964310000000, 0.760915420000000, 0.234223560000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 104 coordinates: [ 0.508460300000000, 0.130790270000000, 0.333836020000000 ] mass: 18.998403 reduced_to: 42 - symbol: F # 105 coordinates: [ 0.016111660000000, 0.569455370000000, 0.420850460000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 106 coordinates: [ 0.429615910000000, 0.037844330000000, 0.090158180000000 ] mass: 18.998403 reduced_to: 44 - symbol: F # 107 coordinates: [ 0.242456460000000, 0.884773830000000, 0.904274150000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 108 coordinates: [ 0.869209730000000, 0.377670020000000, 0.333836020000000 ] mass: 18.998403 reduced_to: 46 - symbol: F # 109 coordinates: [ 0.247347460000000, 0.700934440000000, 0.452580180000000 ] mass: 18.998403 reduced_to: 47 - symbol: F # 110 coordinates: [ 0.553343700000000, 0.983888340000000, 0.420850460000000 ] mass: 18.998403 reduced_to: 48 - symbol: F # 111 coordinates: [ 0.388158860000000, 0.848819600000000, 0.274490240000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 112 coordinates: [ 0.207211150000000, 0.719544450000000, 0.053930780000000 ] mass: 18.998403 reduced_to: 50 - symbol: F # 113 coordinates: [ 0.151180400000000, 0.539339260000000, 0.274490240000000 ] mass: 18.998403 reduced_to: 51 - symbol: F # 114 coordinates: [ 0.962155670000000, 0.391771570000000, 0.090158180000000 ] mass: 18.998403 reduced_to: 52 - symbol: F # 115 coordinates: [ 0.453586990000000, 0.752652540000000, 0.452580180000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 116 coordinates: [ 0.374444110000000, 0.812938000000000, 0.904558280000000 ] mass: 18.998403 reduced_to: 54 - symbol: F # 117 coordinates: [ 0.299065560000000, 0.546413010000000, 0.452580180000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 118 coordinates: [ 0.187062000000000, 0.561506110000000, 0.904558280000000 ] mass: 18.998403 reduced_to: 56 - symbol: F # 119 coordinates: [ 0.708951120000000, 0.948035690000000, 0.234223560000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 120 coordinates: [ 0.512333310000000, 0.792788850000000, 0.053930780000000 ] mass: 18.998403 reduced_to: 58 - symbol: F # 121 coordinates: [ 0.333333330000000, 0.666666670000000, 0.754918180000000 ] mass: 18.998403 reduced_to: 59 - symbol: F # 122 coordinates: [ 0.460660740000000, 0.611841140000000, 0.274490240000000 ] mass: 18.998403 reduced_to: 60 - symbol: F # 123 coordinates: [ 0.280455550000000, 0.487666690000000, 0.053930780000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 124 coordinates: [ 0.115226170000000, 0.357682620000000, 0.904274150000000 ] mass: 18.998403 reduced_to: 62 - symbol: F # 125 coordinates: [ 0.438493890000000, 0.625555890000000, 0.904558280000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 126 coordinates: [ 0.795900900000000, 0.950513740000000, 0.994555210000000 ] mass: 18.998403 reduced_to: 64 - symbol: F # 127 coordinates: [ 0.430544630000000, 0.446656300000000, 0.420850460000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 128 coordinates: [ 0.239084580000000, 0.291048880000000, 0.234223560000000 ] mass: 18.998403 reduced_to: 66 - symbol: F # 129 coordinates: [ 0.642317380000000, 0.757543540000000, 0.904274150000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 130 coordinates: [ 0.154612830000000, 0.204099100000000, 0.994555210000000 ] mass: 18.998403 reduced_to: 68 - symbol: F # 131 coordinates: [ 0.608228430000000, 0.570384090000000, 0.090158180000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 132 coordinates: [ 0.622329980000000, 0.491539700000000, 0.333836020000000 ] mass: 18.998403 reduced_to: 70supercell: lattice: - [ 15.289592930000000, 0.000000010000000, 0.000000000000000 ] # a - [ -7.644796480000000, 13.241175880000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.580211070000001 ] # c points: - symbol: K # 1 coordinates: [ 0.913721360000000, 0.224899360000000, 0.501248360000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.690647240000000, 0.918749740000000, 0.487694420000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.228102500000000, 0.309352760000000, 0.487694420000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.504456770000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.775100640000000, 0.688822000000000, 0.501248360000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.311178000000000, 0.086278640000000, 0.501248360000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 7 coordinates: [ 0.081250260000000, 0.771897500000000, 0.487694420000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 8 coordinates: [ 0.580388020000000, 0.558232690000000, 0.834581700000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 9 coordinates: [ 0.357313910000000, 0.252083070000000, 0.821027760000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 10 coordinates: [ 0.894769160000000, 0.642686090000000, 0.821027760000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 11 coordinates: [ 0.666666670000000, 0.333333330000000, 0.837790100000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 12 coordinates: [ 0.441767310000000, 0.022155330000000, 0.834581700000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 13 coordinates: [ 0.977844670000000, 0.419611980000000, 0.834581700000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 14 coordinates: [ 0.747916930000000, 0.105230840000000, 0.821027760000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 15 coordinates: [ 0.247054690000000, 0.891566030000000, 0.167915030000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 16 coordinates: [ 0.023980580000000, 0.585416410000000, 0.154361090000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 17 coordinates: [ 0.561435830000000, 0.976019420000000, 0.154361090000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.171123430000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 19 coordinates: [ 0.108433970000000, 0.355488660000000, 0.167915030000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 20 coordinates: [ 0.644511340000000, 0.752945310000000, 0.167915030000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 21 coordinates: [ 0.414583590000000, 0.438564170000000, 0.154361090000000 ] mass: 39.098300 reduced_to: 7 - symbol: Th # 22 coordinates: [ 0.055430300000000, 0.195354710000000, 0.818037090000000 ] mass: 232.038060 reduced_to: 22 - symbol: Th # 23 coordinates: [ 0.804645290000000, 0.860075580000000, 0.818037090000000 ] mass: 232.038060 reduced_to: 23 - symbol: Th # 24 coordinates: [ 0.870231750000000, 0.049580500000000, 0.175326980000000 ] mass: 232.038060 reduced_to: 24 - symbol: Th # 25 coordinates: [ 0.139924420000000, 0.944569700000000, 0.818037090000000 ] mass: 232.038060 reduced_to: 25 - symbol: Th # 26 coordinates: [ 0.179348740000000, 0.129768250000000, 0.175326980000000 ] mass: 232.038060 reduced_to: 26 - symbol: Th # 27 coordinates: [ 0.950419500000000, 0.820651260000000, 0.175326980000000 ] mass: 232.038060 reduced_to: 27 - symbol: Th # 28 coordinates: [ 0.722096970000000, 0.528688050000000, 0.151370430000000 ] mass: 232.038060 reduced_to: 22 - symbol: Th # 29 coordinates: [ 0.471311950000000, 0.193408910000000, 0.151370430000000 ] mass: 232.038060 reduced_to: 23 - symbol: Th # 30 coordinates: [ 0.536898410000000, 0.382913830000000, 0.508660320000000 ] mass: 232.038060 reduced_to: 24 - symbol: Th # 31 coordinates: [ 0.806591090000000, 0.277903030000000, 0.151370430000000 ] mass: 232.038060 reduced_to: 25 - symbol: Th # 32 coordinates: [ 0.846015410000000, 0.463101590000000, 0.508660320000000 ] mass: 232.038060 reduced_to: 26 - symbol: Th # 33 coordinates: [ 0.617086170000000, 0.153984590000000, 0.508660320000000 ] mass: 232.038060 reduced_to: 27 - symbol: Th # 34 coordinates: [ 0.388763630000000, 0.862021380000000, 0.484703760000000 ] mass: 232.038060 reduced_to: 22 - symbol: Th # 35 coordinates: [ 0.137978620000000, 0.526742240000000, 0.484703760000000 ] mass: 232.038060 reduced_to: 23 - symbol: Th # 36 coordinates: [ 0.203565080000000, 0.716247160000000, 0.841993650000000 ] mass: 232.038060 reduced_to: 24 - symbol: Th # 37 coordinates: [ 0.473257760000000, 0.611236370000000, 0.484703760000000 ] mass: 232.038060 reduced_to: 25 - symbol: Th # 38 coordinates: [ 0.512682070000000, 0.796434920000000, 0.841993650000000 ] mass: 232.038060 reduced_to: 26 - symbol: Th # 39 coordinates: [ 0.283752840000000, 0.487317930000000, 0.841993650000000 ] mass: 232.038060 reduced_to: 27 - symbol: F # 40 coordinates: [ 0.716152930000000, 0.178720510000000, 0.327888550000000 ] mass: 18.998403 reduced_to: 40 - symbol: F # 41 coordinates: [ 0.718630980000000, 0.094248750000000, 0.567556890000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 42 coordinates: [ 0.175126970000000, 0.464123600000000, 0.667169350000000 ] mass: 18.998403 reduced_to: 42 - symbol: F # 43 coordinates: [ 0.682778320000000, 0.902788700000000, 0.754183800000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 44 coordinates: [ 0.096282580000000, 0.371177660000000, 0.423491510000000 ] mass: 18.998403 reduced_to: 44 - symbol: F # 45 coordinates: [ 0.909123130000000, 0.218107170000000, 0.237607480000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 46 coordinates: [ 0.535876400000000, 0.711003350000000, 0.667169350000000 ] mass: 18.998403 reduced_to: 46 - symbol: F # 47 coordinates: [ 0.914014130000000, 0.034267770000000, 0.785913510000000 ] mass: 18.998403 reduced_to: 47 - symbol: F # 48 coordinates: [ 0.220010370000000, 0.317221680000000, 0.754183800000000 ] mass: 18.998403 reduced_to: 48 - symbol: F # 49 coordinates: [ 0.054825520000000, 0.182152930000000, 0.607823570000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 50 coordinates: [ 0.873877820000000, 0.052877780000000, 0.387264120000000 ] mass: 18.998403 reduced_to: 50 - symbol: F # 51 coordinates: [ 0.817847070000000, 0.872672590000000, 0.607823570000000 ] mass: 18.998403 reduced_to: 51 - symbol: F # 52 coordinates: [ 0.628822340000000, 0.725104910000000, 0.423491510000000 ] mass: 18.998403 reduced_to: 52 - symbol: F # 53 coordinates: [ 0.120253660000000, 0.085985870000000, 0.785913510000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 54 coordinates: [ 0.041110780000000, 0.146271340000000, 0.237891610000000 ] mass: 18.998403 reduced_to: 54 - symbol: F # 55 coordinates: [ 0.965732230000000, 0.879746340000000, 0.785913510000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 56 coordinates: [ 0.853728660000000, 0.894839440000000, 0.237891610000000 ] mass: 18.998403 reduced_to: 56 - symbol: F # 57 coordinates: [ 0.375617790000000, 0.281369020000000, 0.567556890000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 58 coordinates: [ 0.178999980000000, 0.126122180000000, 0.387264120000000 ] mass: 18.998403 reduced_to: 58 - symbol: F # 59 coordinates: [ 0.000000000000000, 0.000000000000000, 0.088251520000000 ] mass: 18.998403 reduced_to: 59 - symbol: F # 60 coordinates: [ 0.127327410000000, 0.945174480000000, 0.607823570000000 ] mass: 18.998403 reduced_to: 60 - symbol: F # 61 coordinates: [ 0.947122220000000, 0.821000020000000, 0.387264120000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 62 coordinates: [ 0.781892830000000, 0.691015950000000, 0.237607480000000 ] mass: 18.998403 reduced_to: 62 - symbol: F # 63 coordinates: [ 0.105160560000000, 0.958889220000000, 0.237891610000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 64 coordinates: [ 0.462567570000000, 0.283847070000000, 0.327888550000000 ] mass: 18.998403 reduced_to: 64 - symbol: F # 65 coordinates: [ 0.097211300000000, 0.779989630000000, 0.754183800000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 66 coordinates: [ 0.905751250000000, 0.624382210000000, 0.567556890000000 ] mass: 18.998403 reduced_to: 66 - symbol: F # 67 coordinates: [ 0.308984050000000, 0.090876870000000, 0.237607480000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 68 coordinates: [ 0.821279490000000, 0.537432430000000, 0.327888550000000 ] mass: 18.998403 reduced_to: 68 - symbol: F # 69 coordinates: [ 0.274895090000000, 0.903717420000000, 0.423491510000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 70 coordinates: [ 0.288996650000000, 0.824873030000000, 0.667169350000000 ] mass: 18.998403 reduced_to: 70 - symbol: F # 71 coordinates: [ 0.382819600000000, 0.512053840000000, 0.661221880000000 ] mass: 18.998403 reduced_to: 40 - symbol: F # 72 coordinates: [ 0.385297640000000, 0.427582090000000, 0.900890230000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 73 coordinates: [ 0.841793640000000, 0.797456930000000, 0.000502690000000 ] mass: 18.998403 reduced_to: 42 - symbol: F # 74 coordinates: [ 0.349444990000000, 0.236122040000000, 0.087517130000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 75 coordinates: [ 0.762949250000000, 0.704511000000000, 0.756824840000000 ] mass: 18.998403 reduced_to: 44 - symbol: F # 76 coordinates: [ 0.575789800000000, 0.551440500000000, 0.570940810000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 77 coordinates: [ 0.202543070000000, 0.044336680000000, 0.000502690000000 ] mass: 18.998403 reduced_to: 46 - symbol: F # 78 coordinates: [ 0.580680790000000, 0.367601110000000, 0.119246850000000 ] mass: 18.998403 reduced_to: 47 - symbol: F # 79 coordinates: [ 0.886677040000000, 0.650555010000000, 0.087517130000000 ] mass: 18.998403 reduced_to: 48 - symbol: F # 80 coordinates: [ 0.721492190000000, 0.515486270000000, 0.941156900000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 81 coordinates: [ 0.540544480000000, 0.386211120000000, 0.720597450000000 ] mass: 18.998403 reduced_to: 50 - symbol: F # 82 coordinates: [ 0.484513730000000, 0.206005920000000, 0.941156900000000 ] mass: 18.998403 reduced_to: 51 - symbol: F # 83 coordinates: [ 0.295489000000000, 0.058438240000000, 0.756824840000000 ] mass: 18.998403 reduced_to: 52 - symbol: F # 84 coordinates: [ 0.786920320000000, 0.419319210000000, 0.119246850000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 85 coordinates: [ 0.707777450000000, 0.479604670000000, 0.571224950000000 ] mass: 18.998403 reduced_to: 54 - symbol: F # 86 coordinates: [ 0.632398890000000, 0.213079680000000, 0.119246850000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 87 coordinates: [ 0.520395330000000, 0.228172770000000, 0.571224950000000 ] mass: 18.998403 reduced_to: 56 - symbol: F # 88 coordinates: [ 0.042284450000000, 0.614702360000000, 0.900890230000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 89 coordinates: [ 0.845666650000000, 0.459455520000000, 0.720597450000000 ] mass: 18.998403 reduced_to: 58 - symbol: F # 90 coordinates: [ 0.666666670000000, 0.333333330000000, 0.421584850000000 ] mass: 18.998403 reduced_to: 59 - symbol: F # 91 coordinates: [ 0.793994080000000, 0.278507810000000, 0.941156900000000 ] mass: 18.998403 reduced_to: 60 - symbol: F # 92 coordinates: [ 0.613788880000000, 0.154333350000000, 0.720597450000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 93 coordinates: [ 0.448559500000000, 0.024349290000000, 0.570940810000000 ] mass: 18.998403 reduced_to: 62 - symbol: F # 94 coordinates: [ 0.771827230000000, 0.292222550000000, 0.571224950000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 95 coordinates: [ 0.129234230000000, 0.617180400000000, 0.661221880000000 ] mass: 18.998403 reduced_to: 64 - symbol: F # 96 coordinates: [ 0.763877960000000, 0.113322960000000, 0.087517130000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 97 coordinates: [ 0.572417910000000, 0.957715550000000, 0.900890230000000 ] mass: 18.998403 reduced_to: 66 - symbol: F # 98 coordinates: [ 0.975650710000000, 0.424210200000000, 0.570940810000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 99 coordinates: [ 0.487946160000000, 0.870765770000000, 0.661221880000000 ] mass: 18.998403 reduced_to: 68 - symbol: F # 100 coordinates: [ 0.941561760000000, 0.237050750000000, 0.756824840000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 101 coordinates: [ 0.955663320000000, 0.158206360000000, 0.000502690000000 ] mass: 18.998403 reduced_to: 70 - symbol: F # 102 coordinates: [ 0.049486260000000, 0.845387170000000, 0.994555210000000 ] mass: 18.998403 reduced_to: 40 - symbol: F # 103 coordinates: [ 0.051964310000000, 0.760915420000000, 0.234223560000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 104 coordinates: [ 0.508460300000000, 0.130790270000000, 0.333836020000000 ] mass: 18.998403 reduced_to: 42 - symbol: F # 105 coordinates: [ 0.016111660000000, 0.569455370000000, 0.420850460000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 106 coordinates: [ 0.429615910000000, 0.037844330000000, 0.090158180000000 ] mass: 18.998403 reduced_to: 44 - symbol: F # 107 coordinates: [ 0.242456460000000, 0.884773830000000, 0.904274150000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 108 coordinates: [ 0.869209730000000, 0.377670020000000, 0.333836020000000 ] mass: 18.998403 reduced_to: 46 - symbol: F # 109 coordinates: [ 0.247347460000000, 0.700934440000000, 0.452580180000000 ] mass: 18.998403 reduced_to: 47 - symbol: F # 110 coordinates: [ 0.553343700000000, 0.983888340000000, 0.420850460000000 ] mass: 18.998403 reduced_to: 48 - symbol: F # 111 coordinates: [ 0.388158860000000, 0.848819600000000, 0.274490240000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 112 coordinates: [ 0.207211150000000, 0.719544450000000, 0.053930780000000 ] mass: 18.998403 reduced_to: 50 - symbol: F # 113 coordinates: [ 0.151180400000000, 0.539339260000000, 0.274490240000000 ] mass: 18.998403 reduced_to: 51 - symbol: F # 114 coordinates: [ 0.962155670000000, 0.391771570000000, 0.090158180000000 ] mass: 18.998403 reduced_to: 52 - symbol: F # 115 coordinates: [ 0.453586990000000, 0.752652540000000, 0.452580180000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 116 coordinates: [ 0.374444110000000, 0.812938000000000, 0.904558280000000 ] mass: 18.998403 reduced_to: 54 - symbol: F # 117 coordinates: [ 0.299065560000000, 0.546413010000000, 0.452580180000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 118 coordinates: [ 0.187062000000000, 0.561506110000000, 0.904558280000000 ] mass: 18.998403 reduced_to: 56 - symbol: F # 119 coordinates: [ 0.708951120000000, 0.948035690000000, 0.234223560000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 120 coordinates: [ 0.512333310000000, 0.792788850000000, 0.053930780000000 ] mass: 18.998403 reduced_to: 58 - symbol: F # 121 coordinates: [ 0.333333330000000, 0.666666670000000, 0.754918180000000 ] mass: 18.998403 reduced_to: 59 - symbol: F # 122 coordinates: [ 0.460660740000000, 0.611841140000000, 0.274490240000000 ] mass: 18.998403 reduced_to: 60 - symbol: F # 123 coordinates: [ 0.280455550000000, 0.487666690000000, 0.053930780000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 124 coordinates: [ 0.115226170000000, 0.357682620000000, 0.904274150000000 ] mass: 18.998403 reduced_to: 62 - symbol: F # 125 coordinates: [ 0.438493890000000, 0.625555890000000, 0.904558280000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 126 coordinates: [ 0.795900900000000, 0.950513740000000, 0.994555210000000 ] mass: 18.998403 reduced_to: 64 - symbol: F # 127 coordinates: [ 0.430544630000000, 0.446656300000000, 0.420850460000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 128 coordinates: [ 0.239084580000000, 0.291048880000000, 0.234223560000000 ] mass: 18.998403 reduced_to: 66 - symbol: F # 129 coordinates: [ 0.642317380000000, 0.757543540000000, 0.904274150000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 130 coordinates: [ 0.154612830000000, 0.204099100000000, 0.994555210000000 ] mass: 18.998403 reduced_to: 68 - symbol: F # 131 coordinates: [ 0.608228430000000, 0.570384090000000, 0.090158180000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 132 coordinates: [ 0.622329980000000, 0.491539700000000, 0.333836020000000 ] mass: 18.998403 reduced_to: 70displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000065404, 0.0000000000000000 ] forces: - [ -0.0222562200000000, -0.0036491200000000, 0.0016363600000000 ] - [ -0.0009820900000000, 0.0010931100000000, 0.0000863700000000 ] - [ 0.0026364400000000, 0.0009708700000000, -0.0003736600000000 ] - [ 0.0009897500000000, -0.0020309800000000, 0.0001695300000000 ] - [ 0.0001695800000000, -0.0003643300000000, 0.0001300100000000 ] - [ 0.0007265300000000, 0.0000423600000000, 0.0001498700000000 ] - [ 0.0000927400000000, -0.0002483400000000, -0.0001630100000000 ] - [ 0.0002017800000000, -0.0000935300000000, 0.0000998300000000 ] - [ 0.0005999500000000, -0.0000356100000000, -0.0001382200000000 ] - [ -0.0000157100000000, -0.0003223800000000, -0.0003044200000000 ] - [ 0.0004829700000000, -0.0002872900000000, -0.0001328500000000 ] - [ 0.0004759200000000, 0.0002995000000000, -0.0001084000000000 ] - [ -0.0009870400000000, -0.0000465900000000, -0.0001382300000000 ] - [ -0.0006473100000000, 0.0006026500000000, -0.0017699800000000 ] - [ 0.0002028300000000, -0.0000071600000000, 0.0001746900000000 ] - [ -0.0003221700000000, -0.0002990300000000, -0.0001073800000000 ] - [ -0.0000497300000000, 0.0004798700000000, 0.0001274400000000 ] - [ 0.0000419500000000, 0.0003308900000000, 0.0002859100000000 ] - [ -0.0002200700000000, 0.0004909800000000, -0.0009629600000000 ] - [ -0.0000744900000000, 0.0000168700000000, 0.0001396100000000 ] - [ 0.0004537700000000, 0.0001583900000000, -0.0001845100000000 ] - [ -0.0004883800000000, 0.0001558500000000, 0.0092063800000000 ] - [ -0.0009338700000000, -0.0020862500000000, 0.0004870500000000 ] - [ -0.0033355800000000, -0.0007189200000000, -0.0016706500000000 ] - [ 0.0018597000000000, -0.0006816300000000, 0.0005128700000000 ] - [ 0.0027092800000000, -0.0015275500000000, -0.0005187000000000 ] - [ -0.0004403200000000, -0.0013148600000000, 0.0003930900000000 ] - [ 0.0002957000000000, -0.0008544300000000, 0.0006697500000000 ] - [ 0.0024897100000000, -0.0006736400000000, 0.0008979100000000 ] - [ 0.0033628200000000, -0.0001251300000000, 0.0005177000000000 ] - [ -0.0013433800000000, -0.0004306300000000, 0.0054632900000000 ] - [ 0.0018727700000000, -0.0084305700000000, 0.0006231900000000 ] - [ 0.0115169200000000, 0.0032350300000000, 0.0010901200000000 ] - [ 0.0005279800000000, 0.0025161400000000, 0.0003557100000000 ] - [ -0.0041668100000000, 0.0052584700000000, 0.0014633900000000 ] - [ 0.0002431500000000, 0.0009433600000000, 0.0005594800000000 ] - [ 0.0015349500000000, 0.0014908800000000, 0.0002338100000000 ] - [ 0.0000276300000000, 0.0008148000000000, 0.0002633300000000 ] - [ 0.0002010700000000, 0.0019490500000000, 0.0013975500000000 ] - [ -0.0011857000000000, 0.0001818500000000, -0.0027867800000000 ] - [ 0.0016804000000000, 0.0019333200000000, -0.0011486300000000 ] - [ 0.0000332800000000, -0.0008337900000000, -0.0005029400000000 ] - [ 0.0002401700000000, -0.0001236700000000, 0.0002137800000000 ] - [ 0.0046517900000000, -0.0003177800000000, -0.0019630400000000 ] - [ 0.0024422800000000, -0.0009413700000000, 0.0000769300000000 ] - [ -0.0001176200000000, -0.0001838700000000, -0.0001200600000000 ] - [ 0.0005941300000000, 0.0015797000000000, -0.0005838600000000 ] - [ -0.0003068300000000, -0.0007836700000000, -0.0006853900000000 ] - [ 0.0026900600000000, -0.0002019600000000, -0.0029837400000000 ] - [ 0.0025737800000000, -0.0015749000000000, -0.0002428800000000 ] - [ 0.0001947300000000, 0.0002716900000000, 0.0000186900000000 ] - [ -0.0000208400000000, -0.0002636500000000, 0.0000695800000000 ] - [ -0.0009550600000000, 0.0010025000000000, -0.0004658900000000 ] - [ -0.0004744700000000, 0.0010318100000000, 0.0008544000000000 ] - [ -0.0000159700000000, 0.0001908000000000, -0.0001391800000000 ] - [ -0.0001438600000000, 0.0001238100000000, -0.0002882200000000 ] - [ -0.0012082600000000, -0.0002145300000000, 0.0001234500000000 ] - [ -0.0008905400000000, 0.0000708500000000, 0.0001510600000000 ] - [ -0.0000128200000000, 0.0004762500000000, 0.0003960000000000 ] - [ -0.0001933200000000, 0.0001564400000000, 0.0000290300000000 ] - [ -0.0001594300000000, 0.0005918200000000, -0.0003283100000000 ] - [ 0.0002893600000000, 0.0006352000000000, -0.0000325700000000 ] - [ 0.0001936200000000, 0.0005570900000000, -0.0003463800000000 ] - [ -0.0004688200000000, 0.0000259800000000, -0.0002134600000000 ] - [ -0.0001378500000000, -0.0000845000000000, 0.0000136700000000 ] - [ 0.0000492200000000, 0.0011526000000000, 0.0002582800000000 ] - [ -0.0012181200000000, 0.0000283400000000, -0.0000158200000000 ] - [ -0.0004886200000000, 0.0005630600000000, -0.0008697200000000 ] - [ -0.0003801900000000, 0.0000520800000000, -0.0000402800000000 ] - [ -0.0002036800000000, -0.0003976500000000, 0.0002875300000000 ] - [ -0.0002972200000000, -0.0003385600000000, 0.0000495800000000 ] - [ -0.0005201900000000, -0.0002082900000000, -0.0000185200000000 ] - [ 0.0001361600000000, 0.0002360600000000, 0.0000143800000000 ] - [ -0.0012506700000000, 0.0001353000000000, -0.0000896400000000 ] - [ -0.0001737500000000, 0.0003469000000000, 0.0001808900000000 ] - [ -0.0003863000000000, -0.0000254400000000, -0.0001420000000000 ] - [ -0.0004408500000000, 0.0003085900000000, 0.0002209800000000 ] - [ -0.0002624800000000, 0.0001567100000000, -0.0000770500000000 ] - [ 0.0004132400000000, 0.0006146200000000, -0.0000853000000000 ] - [ -0.0001340600000000, 0.0004140800000000, 0.0002209200000000 ] - [ -0.0001836800000000, 0.0000412100000000, -0.0003088400000000 ] - [ -0.0005363800000000, -0.0001379200000000, 0.0002092300000000 ] - [ -0.0004484700000000, -0.0001732200000000, 0.0001828700000000 ] - [ -0.0003446000000000, 0.0005169700000000, -0.0002429500000000 ] - [ -0.0010618000000000, 0.0004287800000000, -0.0003722700000000 ] - [ -0.0007516700000000, -0.0001156100000000, -0.0003537100000000 ] - [ -0.0016483200000000, 0.0005502900000000, -0.0003031600000000 ] - [ 0.0001560300000000, 0.0003112200000000, 0.0000562700000000 ] - [ -0.0000796000000000, 0.0005426700000000, 0.0002671500000000 ] - [ -0.0013353300000000, 0.0007969100000000, -0.0001397400000000 ] - [ 0.0004077300000000, -0.0000159400000000, 0.0000936600000000 ] - [ -0.0008867200000000, -0.0000782800000000, 0.0008281600000000 ] - [ -0.0006425500000000, -0.0010817600000000, -0.0000072700000000 ] - [ -0.0007557300000000, 0.0017173600000000, -0.0010053700000000 ] - [ 0.0003693500000000, -0.0003325300000000, -0.0005752800000000 ] - [ 0.0010032900000000, -0.0010348200000000, -0.0001521900000000 ] - [ 0.0002100400000000, -0.0005935500000000, 0.0001102100000000 ] - [ 0.0028978100000000, 0.0004404400000000, -0.0006616000000000 ] - [ -0.0000232000000000, -0.0004004200000000, 0.0001035800000000 ] - [ 0.0029994400000000, -0.0000869500000000, 0.0004786300000000 ] - [ 0.0007919200000000, 0.0001394700000000, -0.0007542600000000 ] - [ 0.0000156100000000, 0.0001772600000000, -0.0001297100000000 ] - [ -0.0002978600000000, 0.0001018300000000, -0.0000391000000000 ] - [ -0.0011468800000000, 0.0000054500000000, -0.0013342500000000 ] - [ 0.0011779000000000, 0.0007699400000000, -0.0001838700000000 ] - [ -0.0002882800000000, -0.0001514100000000, -0.0000520400000000 ] - [ -0.0003052800000000, -0.0002268200000000, -0.0000720300000000 ] - [ -0.0003528800000000, 0.0012270100000000, -0.0015212800000000 ] - [ -0.0002632700000000, -0.0009334700000000, -0.0001096200000000 ] - [ -0.0004131600000000, -0.0015005000000000, -0.0004253900000000 ] - [ -0.0001392400000000, -0.0000580100000000, -0.0000376200000000 ] - [ 0.0002470400000000, -0.0000699600000000, -0.0003601100000000 ] - [ 0.0001336100000000, -0.0006991700000000, 0.0005840700000000 ] - [ 0.0010952700000000, 0.0004906800000000, -0.0003089600000000 ] - [ 0.0003072500000000, -0.0005147600000000, -0.0001340600000000 ] - [ -0.0002937700000000, 0.0000077900000000, -0.0003968600000000 ] - [ -0.0006202400000000, -0.0007279400000000, -0.0001494600000000 ] - [ 0.0002488100000000, -0.0006257600000000, -0.0004436000000000 ] - [ 0.0009285100000000, 0.0003855100000000, -0.0002412000000000 ] - [ -0.0000915700000000, -0.0003512000000000, -0.0003312200000000 ] - [ -0.0000222300000000, -0.0004422400000000, 0.0002188600000000 ] - [ 0.0000865300000000, -0.0002257800000000, 0.0001356900000000 ] - [ -0.0001913400000000, -0.0000390400000000, -0.0003788600000000 ] - [ 0.0003719600000000, -0.0007052900000000, -0.0003137800000000 ] - [ 0.0000604400000000, -0.0005330800000000, -0.0004104000000000 ] - [ 0.0002658200000000, 0.0001805300000000, 0.0000931400000000 ] - [ -0.0006853000000000, -0.0004438600000000, -0.0002161200000000 ] - [ -0.0003645400000000, 0.0000456600000000, 0.0004203300000000 ] - [ 0.0000041300000000, 0.0001867300000000, -0.0000199100000000 ] - [ -0.0005797600000000, 0.0001115800000000, -0.0006529700000000 ] - [ -0.0003569900000000, 0.0001643500000000, -0.0000795300000000 ] - [ -0.0002552800000000, -0.0000053000000000, -0.0001340700000000 ]- atom: 1 displacement: [ -0.0100000000000000, -0.0000000000065404, 0.0000000000000000 ] forces: - [ 0.0222124900000000, 0.0036041700000000, -0.0015493800000000 ] - [ 0.0009304200000000, -0.0011927500000000, -0.0004169500000000 ] - [ -0.0026746100000000, -0.0008576000000000, 0.0000433300000000 ] - [ -0.0009896100000000, 0.0020185400000000, 0.0004322900000000 ] - [ -0.0000616600000000, 0.0003449400000000, 0.0001280900000000 ] - [ -0.0007636500000000, 0.0000600600000000, 0.0001102700000000 ] - [ 0.0000286200000000, 0.0002478400000000, -0.0001668100000000 ] - [ -0.0002727100000000, 0.0000126400000000, 0.0001363200000000 ] - [ -0.0006609000000000, -0.0000747700000000, -0.0001912500000000 ] - [ -0.0000468600000000, 0.0004306000000000, -0.0000253600000000 ] - [ -0.0004833100000000, 0.0002890300000000, 0.0007282200000000 ] - [ -0.0003703700000000, -0.0003210600000000, 0.0003451800000000 ] - [ 0.0009534100000000, 0.0001445200000000, 0.0003713000000000 ] - [ 0.0007831700000000, -0.0006004000000000, 0.0014413500000000 ] - [ -0.0002718800000000, -0.0000749000000000, 0.0000646000000000 ] - [ 0.0002640100000000, 0.0001905400000000, -0.0002418000000000 ] - [ -0.0000094900000000, -0.0003761000000000, -0.0004777800000000 ] - [ -0.0000419200000000, -0.0003321300000000, 0.0003252100000000 ] - [ 0.0003182500000000, -0.0005097100000000, 0.0012019500000000 ] - [ 0.0000376800000000, 0.0000844000000000, 0.0001020800000000 ] - [ -0.0003306000000000, -0.0001554100000000, -0.0001659800000000 ] - [ -0.0008168200000000, 0.0003512600000000, -0.0086690600000000 ] - [ 0.0011283900000000, 0.0007375900000000, 0.0000100300000000 ] - [ 0.0040673200000000, 0.0017110900000000, 0.0028032600000000 ] - [ -0.0007888300000000, 0.0015292200000000, -0.0000136800000000 ] - [ -0.0022368200000000, 0.0003864600000000, 0.0016018300000000 ] - [ -0.0007769700000000, 0.0014724400000000, 0.0007010800000000 ] - [ -0.0015737100000000, 0.0013547400000000, -0.0001303000000000 ] - [ -0.0022852600000000, -0.0006796200000000, -0.0003592100000000 ] - [ -0.0026187900000000, 0.0011029400000000, 0.0005257600000000 ] - [ 0.0024487700000000, 0.0012939200000000, -0.0049283000000000 ] - [ -0.0013837600000000, 0.0073361500000000, 0.0004165900000000 ] - [ -0.0128178800000000, -0.0031197500000000, -0.0000408600000000 ] - [ -0.0017997900000000, -0.0020218100000000, 0.0001924000000000 ] - [ 0.0043421600000000, -0.0066300700000000, -0.0009118100000000 ] - [ 0.0004950400000000, 0.0000156000000000, 0.0005241400000000 ] - [ -0.0004685100000000, -0.0006361700000000, 0.0003147800000000 ] - [ 0.0004455500000000, -0.0019406400000000, 0.0008204000000000 ] - [ -0.0014095400000000, -0.0017925100000000, -0.0003094600000000 ] - [ 0.0012093000000000, -0.0002425800000000, 0.0025027900000000 ] - [ -0.0020391600000000, -0.0023619500000000, 0.0012265400000000 ] - [ 0.0001879400000000, 0.0010120900000000, 0.0004889700000000 ] - [ -0.0008379100000000, 0.0005557300000000, -0.0002768200000000 ] - [ -0.0046948200000000, 0.0003928900000000, 0.0020065200000000 ] - [ -0.0024496400000000, 0.0003723300000000, -0.0001669100000000 ] - [ -0.0001499300000000, 0.0002866300000000, 0.0001051000000000 ] - [ -0.0006932300000000, -0.0014258200000000, 0.0004547500000000 ] - [ 0.0009815900000000, 0.0010819900000000, 0.0006156200000000 ] - [ -0.0024749800000000, 0.0005120000000000, 0.0033926300000000 ] - [ -0.0021447700000000, 0.0015165200000000, -0.0006989000000000 ] - [ -0.0004920800000000, -0.0004959600000000, 0.0002858200000000 ] - [ 0.0001788700000000, 0.0001649900000000, 0.0000408800000000 ] - [ 0.0011429700000000, -0.0009858700000000, 0.0003373000000000 ] - [ 0.0001227500000000, -0.0005750100000000, -0.0016812700000000 ] - [ -0.0000641800000000, -0.0003592100000000, 0.0000113600000000 ] - [ -0.0000616100000000, -0.0006666000000000, -0.0005486900000000 ] - [ 0.0010521800000000, 0.0005012800000000, -0.0001110300000000 ] - [ 0.0006402900000000, -0.0004263500000000, -0.0010594000000000 ] - [ 0.0000163900000000, -0.0004746700000000, 0.0002634400000000 ] - [ 0.0005334000000000, -0.0003026600000000, 0.0002726000000000 ] - [ -0.0000282300000000, -0.0001990300000000, -0.0005842100000000 ] - [ 0.0001985100000000, -0.0003507500000000, -0.0000501500000000 ] - [ 0.0003774600000000, -0.0004624700000000, -0.0004874600000000 ] - [ 0.0004049300000000, -0.0000353800000000, -0.0000869300000000 ] - [ 0.0000587400000000, -0.0006514300000000, -0.0000765800000000 ] - [ 0.0002753800000000, -0.0011599100000000, -0.0002430200000000 ] - [ 0.0007264600000000, 0.0002543500000000, -0.0000683300000000 ] - [ 0.0005185800000000, -0.0005028800000000, 0.0005713100000000 ] - [ 0.0003817600000000, 0.0001324700000000, 0.0001508900000000 ] - [ 0.0002517200000000, 0.0001205200000000, -0.0003051100000000 ] - [ 0.0003925000000000, 0.0003582400000000, -0.0003755600000000 ] - [ 0.0003311600000000, -0.0000470300000000, 0.0001998700000000 ] - [ 0.0001298700000000, -0.0001131800000000, 0.0000772600000000 ] - [ 0.0006607500000000, 0.0003030100000000, -0.0000865600000000 ] - [ 0.0000399300000000, -0.0003954800000000, 0.0000250600000000 ] - [ 0.0003905000000000, -0.0005464400000000, -0.0001105700000000 ] - [ 0.0001985800000000, -0.0001323800000000, -0.0001270600000000 ] - [ 0.0001583900000000, -0.0000172600000000, -0.0000190000000000 ] - [ 0.0002615900000000, -0.0003237500000000, -0.0000926500000000 ] - [ 0.0001179700000000, 0.0000087500000000, 0.0001433600000000 ] - [ 0.0005921700000000, -0.0001122200000000, -0.0005804600000000 ] - [ 0.0001772500000000, -0.0000936500000000, 0.0001556400000000 ] - [ 0.0005556200000000, 0.0000805500000000, 0.0000219800000000 ] - [ 0.0005206800000000, -0.0004947200000000, 0.0001482400000000 ] - [ 0.0007170200000000, 0.0000089000000000, -0.0005245400000000 ] - [ 0.0006797600000000, -0.0000484900000000, 0.0002604000000000 ] - [ 0.0014427700000000, -0.0010677600000000, -0.0005953200000000 ] - [ -0.0002851900000000, -0.0000219400000000, 0.0001230200000000 ] - [ -0.0001910500000000, -0.0008625400000000, -0.0011546500000000 ] - [ 0.0013384400000000, -0.0008005500000000, 0.0005466700000000 ] - [ -0.0000324700000000, -0.0001790400000000, 0.0002691100000000 ] - [ 0.0007481200000000, 0.0004693300000000, -0.0017235300000000 ] - [ 0.0011350600000000, 0.0013736400000000, -0.0002441500000000 ] - [ 0.0011808800000000, -0.0016090600000000, 0.0001463300000000 ] - [ -0.0003955800000000, 0.0002380100000000, 0.0002523400000000 ] - [ -0.0010962600000000, 0.0003006800000000, -0.0000259000000000 ] - [ 0.0001038500000000, 0.0005650200000000, 0.0000703800000000 ] - [ -0.0033979900000000, -0.0001452100000000, 0.0004062900000000 ] - [ -0.0000422300000000, 0.0004736700000000, -0.0004287500000000 ] - [ -0.0029552700000000, 0.0002159900000000, -0.0002789100000000 ] - [ -0.0008149100000000, -0.0004311400000000, 0.0008407300000000 ] - [ 0.0000545500000000, -0.0001889300000000, 0.0000339500000000 ] - [ 0.0000602700000000, -0.0003060600000000, 0.0000587700000000 ] - [ 0.0014131200000000, 0.0001205300000000, 0.0012035000000000 ] - [ -0.0017790100000000, -0.0003349600000000, -0.0000712900000000 ] - [ 0.0001619300000000, 0.0001121900000000, 0.0000527500000000 ] - [ 0.0003055500000000, -0.0003438000000000, 0.0000375400000000 ] - [ 0.0000934400000000, -0.0010539900000000, 0.0013865600000000 ] - [ 0.0001598100000000, 0.0010811300000000, -0.0001435900000000 ] - [ 0.0010880600000000, 0.0018072100000000, 0.0001709500000000 ] - [ 0.0001235900000000, 0.0004848900000000, 0.0003151500000000 ] - [ 0.0001700300000000, 0.0000263500000000, -0.0003322700000000 ] - [ -0.0004945100000000, 0.0004684100000000, -0.0003086300000000 ] - [ -0.0010022200000000, -0.0005807300000000, 0.0003075700000000 ] - [ -0.0001283400000000, 0.0005379400000000, -0.0001171900000000 ] - [ -0.0000125800000000, 0.0004264400000000, -0.0003876600000000 ] - [ 0.0005548100000000, 0.0005640800000000, -0.0001021900000000 ] - [ -0.0004705000000000, 0.0001451900000000, -0.0003425500000000 ] - [ -0.0009984900000000, -0.0000852200000000, 0.0002590500000000 ] - [ -0.0001587100000000, 0.0000148900000000, -0.0003596300000000 ] - [ 0.0000226800000000, 0.0004433300000000, 0.0002662100000000 ] - [ 0.0002938600000000, 0.0000287100000000, 0.0001402200000000 ] - [ 0.0000242700000000, 0.0004220800000000, -0.0003139600000000 ] - [ 0.0001240600000000, 0.0009900400000000, 0.0002808100000000 ] - [ 0.0004678100000000, 0.0005872700000000, -0.0003746700000000 ] - [ -0.0003087600000000, -0.0002442700000000, -0.0001931900000000 ] - [ 0.0006073800000000, -0.0002961600000000, -0.0000364900000000 ] - [ 0.0006598400000000, -0.0001386800000000, -0.0003965300000000 ] - [ -0.0004979300000000, 0.0000993000000000, -0.0000145200000000 ] - [ 0.0005580700000000, -0.0000447500000000, 0.0005603800000000 ] - [ 0.0003833100000000, -0.0000386900000000, 0.0000795200000000 ] - [ 0.0002329700000000, -0.0002862500000000, -0.0000018200000000 ]- atom: 1 displacement: [ -0.0050000000104457, 0.0086602540318135, 0.0000000000000000 ] forces: - [ 0.0078902300000000, -0.0235403300000000, -0.0023312700000000 ] - [ 0.0013332800000000, 0.0019060000000000, -0.0002831500000000 ] - [ -0.0004569800000000, -0.0011275900000000, 0.0000407800000000 ] - [ -0.0022581700000000, 0.0018358400000000, 0.0002037400000000 ] - [ -0.0002731200000000, 0.0006614600000000, 0.0001372300000000 ] - [ -0.0004365700000000, 0.0000055300000000, 0.0001101400000000 ] - [ -0.0001637900000000, 0.0006854900000000, -0.0001983200000000 ] - [ -0.0001246000000000, 0.0001808200000000, 0.0001450500000000 ] - [ -0.0003425500000000, -0.0002236000000000, -0.0001452500000000 ] - [ -0.0003359500000000, 0.0005896000000000, 0.0000755900000000 ] - [ -0.0004432100000000, -0.0001549100000000, 0.0006317000000000 ] - [ 0.0000050100000000, -0.0001018400000000, 0.0001714400000000 ] - [ 0.0003982300000000, 0.0001536500000000, 0.0015529200000000 ] - [ 0.0009334000000000, -0.0007062900000000, -0.0005774500000000 ] - [ -0.0001982500000000, 0.0001384700000000, 0.0000954800000000 ] - [ -0.0001191000000000, 0.0004286000000000, -0.0005579700000000 ] - [ 0.0003808900000000, -0.0000739400000000, -0.0001479700000000 ] - [ 0.0002850800000000, 0.0002058100000000, 0.0001693400000000 ] - [ 0.0006061600000000, -0.0008105800000000, -0.0003498500000000 ] - [ 0.0000852500000000, 0.0005436600000000, 0.0001851000000000 ] - [ -0.0000136100000000, -0.0001193800000000, -0.0001985100000000 ] - [ -0.0011339700000000, -0.0031127300000000, -0.0053449100000000 ] - [ -0.0000063700000000, 0.0018716000000000, -0.0008604700000000 ] - [ 0.0014886800000000, 0.0008283300000000, 0.0093452200000000 ] - [ -0.0010081800000000, 0.0015499700000000, -0.0000149200000000 ] - [ -0.0021094100000000, -0.0009723900000000, 0.0013656200000000 ] - [ -0.0021457900000000, 0.0021659500000000, 0.0008305600000000 ] - [ -0.0019536700000000, 0.0013148400000000, -0.0003371500000000 ] - [ -0.0010305800000000, -0.0012322000000000, 0.0000844800000000 ] - [ -0.0015475600000000, 0.0002220800000000, 0.0004983800000000 ] - [ 0.0010051200000000, -0.0032946200000000, -0.0036932300000000 ] - [ -0.0074870700000000, 0.0062601700000000, 0.0004029100000000 ] - [ -0.0020394400000000, -0.0056137300000000, 0.0005862200000000 ] - [ 0.0001838400000000, 0.0010118900000000, 0.0003085500000000 ] - [ 0.0056081600000000, 0.0063791400000000, -0.0007379700000000 ] - [ 0.0007989600000000, 0.0019616100000000, 0.0012030600000000 ] - [ 0.0015289700000000, 0.0014545400000000, 0.0003258400000000 ] - [ 0.0014644800000000, 0.0001593000000000, 0.0004744600000000 ] - [ 0.0005347100000000, -0.0007571200000000, 0.0011829200000000 ] - [ 0.0001907700000000, 0.0012074900000000, 0.0002913300000000 ] - [ -0.0021194200000000, 0.0025711200000000, -0.0006440900000000 ] - [ -0.0011928700000000, 0.0001080600000000, -0.0012828300000000 ] - [ -0.0008627300000000, -0.0002100700000000, 0.0003134400000000 ] - [ -0.0001760700000000, 0.0023468000000000, -0.0003767600000000 ] - [ -0.0018599100000000, 0.0024854800000000, -0.0003829800000000 ] - [ -0.0002655800000000, -0.0002279200000000, -0.0001471500000000 ] - [ 0.0001689200000000, -0.0005843500000000, 0.0009135900000000 ] - [ 0.0007327100000000, 0.0013078500000000, 0.0001694900000000 ] - [ -0.0014200700000000, 0.0023142900000000, 0.0024160800000000 ] - [ -0.0020354300000000, 0.0059469700000000, -0.0018505300000000 ] - [ -0.0000750400000000, -0.0010401500000000, 0.0009075000000000 ] - [ -0.0002000300000000, -0.0007339900000000, 0.0001536000000000 ] - [ 0.0008514500000000, -0.0004863100000000, 0.0002465700000000 ] - [ 0.0011656200000000, 0.0005674400000000, -0.0015683600000000 ] - [ 0.0004808000000000, -0.0002929600000000, 0.0000412800000000 ] - [ 0.0007152800000000, -0.0014329500000000, -0.0008956600000000 ] - [ 0.0004287400000000, 0.0004827600000000, -0.0000951300000000 ] - [ 0.0005420700000000, -0.0000337400000000, -0.0008493200000000 ] - [ 0.0005876400000000, -0.0003526600000000, 0.0001768800000000 ] - [ 0.0006386300000000, -0.0003546400000000, 0.0003528800000000 ] - [ 0.0002124700000000, -0.0003751400000000, -0.0005851000000000 ] - [ 0.0002971000000000, -0.0005969000000000, -0.0000754600000000 ] - [ 0.0005109300000000, -0.0002804400000000, -0.0004905800000000 ] - [ 0.0001804900000000, 0.0001684800000000, 0.0000317900000000 ] - [ 0.0002629600000000, -0.0009878200000000, -0.0001248000000000 ] - [ 0.0006260100000000, -0.0015090700000000, -0.0003418200000000 ] - [ 0.0003960800000000, 0.0002316100000000, -0.0000691400000000 ] - [ 0.0009758900000000, -0.0006326300000000, 0.0010500400000000 ] - [ 0.0001142500000000, -0.0000639200000000, 0.0000943500000000 ] - [ -0.0000542300000000, -0.0003738500000000, 0.0000398700000000 ] - [ -0.0000985300000000, 0.0000144200000000, -0.0001959900000000 ] - [ -0.0001765400000000, 0.0000321600000000, 0.0000784800000000 ] - [ 0.0003883400000000, -0.0002772700000000, 0.0002671500000000 ] - [ 0.0002673300000000, 0.0004138600000000, -0.0001205000000000 ] - [ 0.0002042400000000, -0.0008389500000000, -0.0000089300000000 ] - [ 0.0001769300000000, -0.0005533100000000, -0.0001425300000000 ] - [ 0.0001447800000000, -0.0000607000000000, -0.0001147400000000 ] - [ 0.0001367500000000, 0.0002421800000000, -0.0000257400000000 ] - [ 0.0004390800000000, -0.0004833400000000, -0.0001233200000000 ] - [ 0.0001608800000000, 0.0000521200000000, 0.0001409500000000 ] - [ 0.0004566500000000, -0.0000141000000000, -0.0005635400000000 ] - [ 0.0000045100000000, -0.0000142600000000, 0.0001372400000000 ] - [ 0.0003560600000000, 0.0000494500000000, 0.0000695200000000 ] - [ 0.0005228800000000, -0.0001491500000000, 0.0002230000000000 ] - [ 0.0013064400000000, 0.0001779500000000, -0.0005787200000000 ] - [ 0.0004365100000000, 0.0001607200000000, 0.0000411000000000 ] - [ 0.0002533200000000, -0.0001492300000000, -0.0004811000000000 ] - [ -0.0001960000000000, -0.0002579900000000, 0.0000437200000000 ] - [ 0.0004712600000000, -0.0006393000000000, -0.0014822500000000 ] - [ 0.0012217700000000, 0.0003567600000000, 0.0004671600000000 ] - [ 0.0001378400000000, 0.0002896100000000, 0.0002247100000000 ] - [ -0.0000578300000000, 0.0008014900000000, -0.0007239000000000 ] - [ 0.0004254000000000, 0.0004427600000000, -0.0001757200000000 ] - [ 0.0018632400000000, 0.0018843900000000, 0.0000744000000000 ] - [ -0.0001767200000000, -0.0011175400000000, -0.0011763800000000 ] - [ -0.0012055500000000, 0.0009319900000000, -0.0001688200000000 ] - [ -0.0000550500000000, -0.0000382300000000, 0.0000959200000000 ] - [ -0.0012078900000000, 0.0010878500000000, 0.0012572600000000 ] - [ -0.0003579400000000, -0.0000080300000000, -0.0003249000000000 ] - [ -0.0019222300000000, 0.0020810600000000, -0.0001158300000000 ] - [ -0.0001747200000000, 0.0004641500000000, -0.0002303600000000 ] - [ 0.0002267900000000, -0.0002086700000000, -0.0000866200000000 ] - [ 0.0004567200000000, -0.0005905500000000, 0.0001870700000000 ] - [ 0.0004398800000000, 0.0001908500000000, 0.0002170600000000 ] - [ -0.0003291500000000, -0.0009753500000000, 0.0003654100000000 ] - [ -0.0000453400000000, 0.0001114600000000, 0.0000249200000000 ] - [ 0.0003499900000000, -0.0006722000000000, 0.0000025700000000 ] - [ 0.0015260100000000, 0.0000413900000000, 0.0026225500000000 ] - [ -0.0004499700000000, -0.0013059700000000, -0.0000700700000000 ] - [ -0.0001938500000000, 0.0004700500000000, -0.0000318100000000 ] - [ -0.0001044500000000, 0.0000895100000000, 0.0002209300000000 ] - [ 0.0001605300000000, -0.0002156200000000, -0.0003533000000000 ] - [ -0.0005163900000000, -0.0004530800000000, 0.0010692600000000 ] - [ -0.0001440400000000, 0.0002542200000000, 0.0002512400000000 ] - [ -0.0001885700000000, -0.0001544100000000, -0.0001229500000000 ] - [ -0.0005557000000000, 0.0000481000000000, -0.0004100700000000 ] - [ -0.0015240300000000, -0.0004244600000000, -0.0000870300000000 ] - [ -0.0004282000000000, -0.0002465600000000, -0.0004527200000000 ] - [ -0.0009743300000000, -0.0005602400000000, -0.0005455100000000 ] - [ -0.0003199300000000, -0.0002850400000000, -0.0003639100000000 ] - [ -0.0003260100000000, -0.0001892200000000, 0.0001137200000000 ] - [ 0.0000353200000000, -0.0002138400000000, 0.0001933900000000 ] - [ -0.0001904000000000, 0.0002863700000000, -0.0003019800000000 ] - [ 0.0000343600000000, 0.0012721600000000, 0.0001378600000000 ] - [ 0.0001236400000000, -0.0002205100000000, -0.0004032500000000 ] - [ -0.0001809400000000, -0.0005713700000000, -0.0006265700000000 ] - [ 0.0001512400000000, -0.0003781900000000, -0.0000863200000000 ] - [ 0.0002221400000000, 0.0005698300000000, 0.0000189100000000 ] - [ -0.0006550200000000, -0.0002088500000000, 0.0000626700000000 ] - [ 0.0003720400000000, 0.0002200500000000, 0.0002432700000000 ] - [ 0.0003532100000000, -0.0001594100000000, 0.0000778000000000 ] - [ 0.0002092800000000, -0.0002438800000000, -0.0000011200000000 ]- atom: 1 displacement: [ 0.0050000000104457, -0.0086602540318135, 0.0000000000000000 ] forces: - [ -0.0080685300000000, 0.0235019500000000, 0.0026929600000000 ] - [ -0.0014064200000000, -0.0020168100000000, -0.0000452300000000 ] - [ 0.0003936700000000, 0.0012340100000000, -0.0003684000000000 ] - [ 0.0022796700000000, -0.0018492100000000, 0.0003951200000000 ] - [ 0.0003803900000000, -0.0006863400000000, 0.0001190700000000 ] - [ 0.0004038200000000, 0.0001002800000000, 0.0001484600000000 ] - [ 0.0002863000000000, -0.0006859000000000, -0.0001308100000000 ] - [ 0.0000505300000000, -0.0002619900000000, 0.0000894900000000 ] - [ 0.0002799700000000, 0.0001143500000000, -0.0001845500000000 ] - [ 0.0002746700000000, -0.0004806400000000, -0.0004039900000000 ] - [ 0.0004428800000000, 0.0001526900000000, -0.0000427000000000 ] - [ 0.0001022000000000, 0.0000797500000000, 0.0000623200000000 ] - [ -0.0004285700000000, -0.0000548000000000, -0.0013107100000000 ] - [ -0.0008030100000000, 0.0007141400000000, 0.0002376300000000 ] - [ 0.0001277700000000, -0.0002173000000000, 0.0001424600000000 ] - [ 0.0000590300000000, -0.0005350200000000, 0.0002072800000000 ] - [ -0.0004404800000000, 0.0001818000000000, -0.0002001600000000 ] - [ -0.0002842400000000, -0.0002064700000000, 0.0004365200000000 ] - [ -0.0005044800000000, 0.0007853300000000, 0.0005925400000000 ] - [ -0.0001205600000000, -0.0004430900000000, 0.0000544300000000 ] - [ 0.0001368700000000, 0.0001189700000000, -0.0001509800000000 ] - [ -0.0001656800000000, 0.0036361900000000, 0.0058512800000000 ] - [ 0.0002044100000000, -0.0032181600000000, 0.0013881100000000 ] - [ -0.0007476200000000, 0.0001606400000000, -0.0083038400000000 ] - [ 0.0020740000000000, -0.0006942300000000, 0.0005346600000000 ] - [ 0.0025829000000000, -0.0001629900000000, -0.0002922900000000 ] - [ 0.0009336300000000, -0.0020038500000000, 0.0002459800000000 ] - [ 0.0006755600000000, -0.0008310400000000, 0.0008944300000000 ] - [ 0.0012461300000000, -0.0001143100000000, 0.0004779900000000 ] - [ 0.0022981100000000, 0.0007413800000000, 0.0005329600000000 ] - [ 0.0000652500000000, 0.0041265400000000, 0.0042548900000000 ] - [ 0.0078950400000000, -0.0073570800000000, 0.0006316500000000 ] - [ 0.0008670300000000, 0.0057548800000000, 0.0004468800000000 ] - [ -0.0014453800000000, -0.0005105500000000, 0.0002603200000000 ] - [ -0.0053566600000000, -0.0077065200000000, 0.0012958200000000 ] - [ -0.0000491700000000, -0.0009983700000000, -0.0001309500000000 ] - [ -0.0004745600000000, -0.0006075400000000, 0.0002438000000000 ] - [ -0.0010015100000000, -0.0012870600000000, 0.0005950400000000 ] - [ -0.0017425000000000, 0.0009119000000000, -0.0001116400000000 ] - [ -0.0001669300000000, -0.0012563500000000, -0.0006012800000000 ] - [ 0.0019162700000000, -0.0028400200000000, 0.0006553900000000 ] - [ 0.0014078500000000, 0.0000765900000000, 0.0012636800000000 ] - [ 0.0002730400000000, 0.0006427100000000, -0.0003782600000000 ] - [ 0.0000334100000000, -0.0023963900000000, 0.0004866100000000 ] - [ 0.0018580100000000, -0.0030639300000000, 0.0003020900000000 ] - [ -0.0000013200000000, 0.0003325100000000, 0.0001299700000000 ] - [ -0.0002739600000000, 0.0007314300000000, -0.0010534300000000 ] - [ -0.0000572800000000, -0.0010094200000000, -0.0002342000000000 ] - [ 0.0015102000000000, -0.0019790200000000, -0.0020543600000000 ] - [ 0.0025823500000000, -0.0063674800000000, 0.0007240500000000 ] - [ -0.0002217200000000, 0.0008246500000000, -0.0006106100000000 ] - [ 0.0003570600000000, 0.0006383300000000, -0.0000426800000000 ] - [ -0.0006609800000000, 0.0004973500000000, -0.0003782400000000 ] - [ -0.0015270600000000, -0.0001231600000000, 0.0007402700000000 ] - [ -0.0005648400000000, 0.0001240200000000, -0.0001738100000000 ] - [ -0.0009237800000000, 0.0008967800000000, 0.0000619200000000 ] - [ -0.0005818500000000, -0.0001937300000000, 0.0001090500000000 ] - [ -0.0007937400000000, -0.0003262500000000, -0.0000593400000000 ] - [ -0.0005885900000000, 0.0003524300000000, 0.0004839100000000 ] - [ -0.0003030200000000, 0.0002077000000000, -0.0000527700000000 ] - [ -0.0004007600000000, 0.0007706000000000, -0.0003229800000000 ] - [ 0.0001924700000000, 0.0008814400000000, -0.0000081700000000 ] - [ 0.0000564100000000, 0.0003714700000000, -0.0003427600000000 ] - [ -0.0002427200000000, -0.0001758300000000, -0.0003339500000000 ] - [ -0.0003444400000000, 0.0002526900000000, 0.0000610800000000 ] - [ -0.0002991800000000, 0.0014989700000000, 0.0003575400000000 ] - [ -0.0008882000000000, 0.0000524100000000, -0.0000169700000000 ] - [ -0.0009422800000000, 0.0006897300000000, -0.0013462000000000 ] - [ -0.0001124600000000, 0.0002442900000000, 0.0000169100000000 ] - [ 0.0000999800000000, 0.0000936400000000, -0.0000578500000000 ] - [ 0.0001921200000000, 0.0000083200000000, -0.0001319000000000 ] - [ -0.0000137400000000, -0.0002866000000000, 0.0001044900000000 ] - [ -0.0001220300000000, 0.0004008100000000, -0.0001783900000000 ] - [ -0.0008555100000000, 0.0000244800000000, -0.0000559700000000 ] - [ -0.0003369300000000, 0.0007959500000000, 0.0002154300000000 ] - [ -0.0001754000000000, -0.0000158700000000, -0.0001111200000000 ] - [ -0.0003878200000000, 0.0002361800000000, 0.0002055100000000 ] - [ -0.0002391100000000, -0.0000989600000000, -0.0000744300000000 ] - [ 0.0002354100000000, 0.0007728600000000, -0.0000546200000000 ] - [ -0.0001756900000000, 0.0003698800000000, 0.0002242300000000 ] - [ -0.0000473300000000, -0.0000565900000000, -0.0003225200000000 ] - [ -0.0003627600000000, -0.0002154000000000, 0.0002282800000000 ] - [ -0.0002542800000000, -0.0001450900000000, 0.0001371900000000 ] - [ -0.0003462100000000, 0.0001726800000000, -0.0003204000000000 ] - [ -0.0016431200000000, 0.0002614900000000, -0.0003185400000000 ] - [ -0.0005077700000000, -0.0003221800000000, -0.0001408900000000 ] - [ -0.0004658800000000, -0.0003604500000000, -0.0004165100000000 ] - [ 0.0000660900000000, 0.0005469800000000, 0.0001366800000000 ] - [ -0.0007377200000000, 0.0003219500000000, 0.0005931100000000 ] - [ -0.0012195200000000, -0.0003500100000000, -0.0000609600000000 ] - [ 0.0002364900000000, -0.0004823500000000, 0.0001408300000000 ] - [ -0.0000855700000000, -0.0004093600000000, -0.0001601300000000 ] - [ 0.0000634100000000, -0.0001620400000000, -0.0000765200000000 ] - [ -0.0013899800000000, -0.0017544700000000, -0.0009489700000000 ] - [ 0.0001506200000000, 0.0010191300000000, 0.0008484500000000 ] - [ 0.0011175700000000, -0.0016668000000000, -0.0000080200000000 ] - [ 0.0003707800000000, 0.0000052300000000, 0.0000862800000000 ] - [ 0.0006583400000000, -0.0005508200000000, -0.0014358000000000 ] - [ 0.0002936500000000, 0.0000764800000000, -0.0000000900000000 ] - [ 0.0019673100000000, -0.0019516600000000, 0.0003182400000000 ] - [ 0.0001470700000000, -0.0007626100000000, 0.0003236300000000 ] - [ -0.0001600600000000, 0.0001971200000000, -0.0000091000000000 ] - [ -0.0006963000000000, 0.0003853100000000, -0.0001656500000000 ] - [ -0.0001799700000000, -0.0000651900000000, -0.0003579500000000 ] - [ -0.0002681900000000, 0.0014033700000000, -0.0006185500000000 ] - [ -0.0000803000000000, -0.0001487700000000, -0.0000236100000000 ] - [ -0.0003529900000000, 0.0001000600000000, -0.0000386400000000 ] - [ -0.0017715200000000, 0.0001480400000000, -0.0027481000000000 ] - [ 0.0003445400000000, 0.0014469500000000, -0.0001867200000000 ] - [ 0.0008645500000000, -0.0001782100000000, -0.0002246500000000 ] - [ 0.0000890600000000, 0.0003334100000000, 0.0000558800000000 ] - [ 0.0002569200000000, 0.0001699200000000, -0.0003366200000000 ] - [ 0.0001539600000000, 0.0002244200000000, -0.0007906200000000 ] - [ 0.0002359100000000, -0.0003420400000000, -0.0002500900000000 ] - [ 0.0003687700000000, 0.0001760600000000, -0.0001325200000000 ] - [ 0.0002494400000000, 0.0003833100000000, -0.0003743200000000 ] - [ 0.0014531300000000, 0.0002626800000000, -0.0001682500000000 ] - [ 0.0002051700000000, -0.0002316300000000, -0.0003331800000000 ] - [ 0.0009127300000000, 0.0008657800000000, 0.0005683500000000 ] - [ 0.0000688600000000, -0.0000519100000000, -0.0003238400000000 ] - [ 0.0003255700000000, 0.0001907200000000, 0.0003719300000000 ] - [ 0.0003430500000000, 0.0000181800000000, 0.0000824400000000 ] - [ 0.0000236500000000, 0.0000991000000000, -0.0003878900000000 ] - [ 0.0004617600000000, -0.0009862000000000, -0.0001705700000000 ] - [ 0.0004033600000000, 0.0002760100000000, -0.0003813700000000 ] - [ 0.0001415100000000, 0.0005110500000000, 0.0005293900000000 ] - [ -0.0002307300000000, -0.0003561200000000, -0.0001665900000000 ] - [ 0.0000753400000000, -0.0006663100000000, 0.0000026500000000 ] - [ 0.0001653200000000, 0.0004985500000000, -0.0000988100000000 ] - [ -0.0003926200000000, -0.0001561100000000, -0.0003342500000000 ] - [ -0.0003238900000000, 0.0002835400000000, -0.0000766100000000 ] - [ -0.0002308600000000, -0.0000459000000000, -0.0001391700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0014769500000000, -0.0019764800000000, -0.0251833000000000 ] - [ 0.0002229200000000, 0.0000813300000000, -0.0011364700000000 ] - [ -0.0001276100000000, 0.0002111600000000, -0.0010492600000000 ] - [ -0.0001978800000000, -0.0002064300000000, -0.0006805100000000 ] - [ 0.0000547300000000, 0.0000092200000000, -0.0000162600000000 ] - [ -0.0000072400000000, 0.0000479300000000, -0.0000152400000000 ] - [ 0.0000453400000000, -0.0000161600000000, -0.0002826900000000 ] - [ 0.0000171500000000, -0.0000361800000000, 0.0001621200000000 ] - [ 0.0001952400000000, -0.0000545900000000, -0.0000732500000000 ] - [ -0.0000900800000000, 0.0000913300000000, -0.0000678200000000 ] - [ -0.0001987700000000, 0.0000791200000000, 0.0005843000000000 ] - [ -0.0000301000000000, -0.0000392200000000, 0.0002316700000000 ] - [ -0.0004896600000000, 0.0015826400000000, 0.0016573800000000 ] - [ -0.0015253100000000, -0.0014190000000000, 0.0021526700000000 ] - [ -0.0000551600000000, -0.0000186700000000, 0.0001645300000000 ] - [ -0.0000224800000000, -0.0003999100000000, 0.0000145500000000 ] - [ 0.0003044600000000, 0.0003317700000000, 0.0000380900000000 ] - [ -0.0000434100000000, -0.0000472200000000, 0.0003960200000000 ] - [ -0.0011188800000000, -0.0009807300000000, 0.0016549900000000 ] - [ 0.0000376200000000, 0.0002818800000000, 0.0002355700000000 ] - [ 0.0000489400000000, -0.0000440700000000, -0.0000791000000000 ] - [ 0.0082721800000000, -0.0014561600000000, 0.0087970100000000 ] - [ 0.0000569500000000, -0.0023592600000000, 0.0013194800000000 ] - [ -0.0015554600000000, 0.0065739100000000, 0.0086329300000000 ] - [ 0.0010951500000000, -0.0001908400000000, 0.0007033400000000 ] - [ -0.0014136500000000, -0.0005213500000000, 0.0017952300000000 ] - [ -0.0012425500000000, 0.0005665800000000, 0.0009343000000000 ] - [ -0.0000770300000000, -0.0000545600000000, 0.0004276900000000 ] - [ 0.0007540700000000, -0.0006221800000000, 0.0004240900000000 ] - [ 0.0004266200000000, 0.0005966400000000, 0.0000672600000000 ] - [ 0.0064217400000000, -0.0019042300000000, 0.0080542800000000 ] - [ -0.0001385800000000, -0.0000400700000000, -0.0032752100000000 ] - [ -0.0017254000000000, 0.0001217400000000, -0.0039289800000000 ] - [ -0.0006175100000000, 0.0001469700000000, -0.0001741000000000 ] - [ 0.0011277900000000, -0.0019611100000000, -0.0034525500000000 ] - [ 0.0003525500000000, 0.0008378200000000, 0.0007454800000000 ] - [ 0.0005281500000000, 0.0005604500000000, -0.0001971200000000 ] - [ 0.0001088000000000, -0.0008091800000000, 0.0008829300000000 ] - [ 0.0002887200000000, 0.0013959200000000, 0.0013128700000000 ] - [ -0.0024862300000000, -0.0004672100000000, 0.0008722200000000 ] - [ 0.0003391400000000, -0.0011279500000000, 0.0023414900000000 ] - [ -0.0001240700000000, -0.0006844900000000, 0.0005174500000000 ] - [ -0.0002027300000000, 0.0006778800000000, -0.0001565500000000 ] - [ -0.0015552100000000, 0.0000927700000000, 0.0027379300000000 ] - [ -0.0014491200000000, -0.0009210800000000, 0.0011148700000000 ] - [ -0.0001471400000000, 0.0001144000000000, 0.0001194900000000 ] - [ -0.0002741800000000, 0.0020733200000000, -0.0008445200000000 ] - [ -0.0004268800000000, -0.0007900300000000, -0.0000839100000000 ] - [ -0.0001415200000000, 0.0002631800000000, 0.0016751000000000 ] - [ -0.0003138500000000, 0.0020329200000000, 0.0011990500000000 ] - [ -0.0001705700000000, 0.0000988300000000, 0.0004680100000000 ] - [ 0.0000118200000000, -0.0001670800000000, 0.0001636100000000 ] - [ -0.0010537600000000, 0.0009944800000000, -0.0001836900000000 ] - [ 0.0017434100000000, -0.0002472800000000, -0.0014145600000000 ] - [ -0.0001798800000000, 0.0000861400000000, -0.0001121700000000 ] - [ 0.0005799700000000, -0.0012380600000000, -0.0005362700000000 ] - [ -0.0001739500000000, 0.0000856000000000, 0.0001241900000000 ] - [ 0.0000735800000000, -0.0001958400000000, -0.0001232900000000 ] - [ 0.0005340000000000, -0.0002406600000000, -0.0001584000000000 ] - [ 0.0001342700000000, -0.0000052000000000, 0.0002949900000000 ] - [ -0.0000162100000000, 0.0001535200000000, -0.0002918100000000 ] - [ 0.0002470400000000, 0.0000698600000000, -0.0000375600000000 ] - [ 0.0003881600000000, -0.0000234800000000, -0.0004130000000000 ] - [ -0.0000495800000000, 0.0000735200000000, 0.0000020000000000 ] - [ -0.0000566800000000, -0.0003271300000000, -0.0000132700000000 ] - [ 0.0001874500000000, -0.0000495200000000, 0.0001019200000000 ] - [ -0.0001625000000000, 0.0001066200000000, -0.0000087900000000 ] - [ -0.0000566200000000, 0.0000940300000000, 0.0001344000000000 ] - [ 0.0000184200000000, 0.0000968100000000, 0.0001110100000000 ] - [ -0.0000065300000000, -0.0001736900000000, 0.0000908200000000 ] - [ -0.0001288500000000, -0.0001534900000000, 0.0001144300000000 ] - [ -0.0003217400000000, -0.0001624100000000, -0.0000658200000000 ] - [ -0.0000075000000000, 0.0000806000000000, -0.0003668800000000 ] - [ -0.0002768900000000, 0.0002945800000000, -0.0002450600000000 ] - [ -0.0001117500000000, 0.0001510900000000, 0.0001460400000000 ] - [ 0.0000066600000000, -0.0003035800000000, -0.0000699100000000 ] - [ -0.0000827300000000, -0.0000290600000000, -0.0003566400000000 ] - [ -0.0001553300000000, 0.0000841700000000, -0.0000794400000000 ] - [ 0.0003388900000000, 0.0001677400000000, -0.0001762000000000 ] - [ -0.0000260600000000, 0.0002164100000000, -0.0000489300000000 ] - [ 0.0001974800000000, -0.0000602100000000, -0.0003754600000000 ] - [ -0.0002155900000000, -0.0001096400000000, -0.0000712300000000 ] - [ -0.0000386000000000, -0.0000311300000000, 0.0001059800000000 ] - [ -0.0006667300000000, 0.0008199100000000, -0.0003118800000000 ] - [ -0.0001004500000000, 0.0002084700000000, -0.0003618800000000 ] - [ -0.0011410100000000, -0.0003509600000000, -0.0003289500000000 ] - [ 0.0000060700000000, -0.0003425500000000, -0.0003562800000000 ] - [ -0.0000338100000000, -0.0000374600000000, -0.0000667700000000 ] - [ 0.0002342100000000, -0.0004915200000000, -0.0001131300000000 ] - [ -0.0000428700000000, -0.0000311500000000, 0.0007008100000000 ] - [ 0.0003775000000000, -0.0002009300000000, -0.0021489900000000 ] - [ 0.0004472000000000, 0.0002504900000000, -0.0001738000000000 ] - [ 0.0002956400000000, 0.0002586300000000, -0.0000242800000000 ] - [ 0.0010193300000000, -0.0002933800000000, 0.0011543300000000 ] - [ -0.0001178200000000, -0.0001565900000000, 0.0000721100000000 ] - [ -0.0006232900000000, -0.0009787700000000, -0.0014354400000000 ] - [ 0.0002989200000000, 0.0002292500000000, -0.0001514500000000 ] - [ -0.0004336600000000, -0.0001691900000000, 0.0020206700000000 ] - [ 0.0000567300000000, 0.0000922200000000, -0.0000443200000000 ] - [ -0.0028887900000000, 0.0011404200000000, 0.0038384700000000 ] - [ 0.0009112600000000, 0.0007772200000000, -0.0030808000000000 ] - [ 0.0001734600000000, 0.0000790600000000, -0.0003674400000000 ] - [ -0.0000385300000000, -0.0000955200000000, 0.0000389200000000 ] - [ 0.0000723800000000, 0.0000410800000000, 0.0002536100000000 ] - [ -0.0003667300000000, 0.0001650400000000, 0.0003424100000000 ] - [ -0.0001296500000000, -0.0000941700000000, -0.0000859800000000 ] - [ -0.0000545600000000, -0.0002755100000000, -0.0000993900000000 ] - [ -0.0019052900000000, 0.0018321900000000, 0.0008247400000000 ] - [ -0.0000176500000000, 0.0001954500000000, -0.0000617900000000 ] - [ 0.0002592000000000, 0.0002178400000000, 0.0002597300000000 ] - [ -0.0000478900000000, 0.0001885200000000, 0.0002468000000000 ] - [ 0.0002324300000000, -0.0000124200000000, -0.0005572100000000 ] - [ -0.0000921300000000, 0.0003308500000000, 0.0004177800000000 ] - [ 0.0002430400000000, 0.0008298500000000, -0.0011549900000000 ] - [ 0.0000699400000000, 0.0000080800000000, -0.0000662400000000 ] - [ -0.0001304800000000, 0.0001996500000000, -0.0004491100000000 ] - [ 0.0001257000000000, 0.0000516700000000, 0.0000381200000000 ] - [ -0.0000571400000000, -0.0005081200000000, -0.0005222800000000 ] - [ -0.0005993900000000, -0.0007130000000000, -0.0001339300000000 ] - [ -0.0001695000000000, -0.0002262000000000, -0.0006308600000000 ] - [ -0.0000028500000000, -0.0001407600000000, 0.0002628000000000 ] - [ 0.0001902800000000, -0.0001133400000000, 0.0002083600000000 ] - [ -0.0000122500000000, 0.0002433200000000, -0.0009225900000000 ] - [ -0.0003161500000000, -0.0009764600000000, -0.0009434200000000 ] - [ 0.0001608700000000, -0.0001268300000000, -0.0004764900000000 ] - [ -0.0000141900000000, -0.0006664500000000, -0.0015592100000000 ] - [ -0.0000278200000000, -0.0003783800000000, -0.0000570300000000 ] - [ 0.0005189000000000, -0.0000439600000000, -0.0000821900000000 ] - [ -0.0001881900000000, 0.0002331700000000, -0.0001938900000000 ] - [ -0.0008415100000000, 0.0002194100000000, -0.0016988200000000 ] - [ -0.0000932300000000, 0.0000609500000000, -0.0000813500000000 ] - [ -0.0000868400000000, -0.0002081600000000, 0.0000838900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0017040500000000, 0.0019819200000000, 0.0253586000000000 ] - [ -0.0002835200000000, -0.0001749800000000, 0.0008090300000000 ] - [ 0.0000636100000000, -0.0001067200000000, 0.0007211600000000 ] - [ 0.0001925800000000, 0.0002115600000000, 0.0012762500000000 ] - [ 0.0000538300000000, -0.0000346300000000, 0.0002721500000000 ] - [ -0.0000252600000000, 0.0000580600000000, 0.0002731100000000 ] - [ 0.0000763800000000, 0.0000129200000000, -0.0000465100000000 ] - [ -0.0000909400000000, -0.0000441900000000, 0.0000710000000000 ] - [ -0.0002565400000000, -0.0000544800000000, -0.0002575600000000 ] - [ 0.0000293200000000, 0.0000170700000000, -0.0002629500000000 ] - [ 0.0001970200000000, -0.0000785000000000, -0.0000004900000000 ] - [ 0.0001360700000000, 0.0000155800000000, 0.0000005400000000 ] - [ 0.0004528900000000, -0.0014638200000000, -0.0014184200000000 ] - [ 0.0016357400000000, 0.0014038700000000, -0.0024746600000000 ] - [ -0.0000167600000000, -0.0000605300000000, 0.0000733400000000 ] - [ -0.0000390700000000, 0.0002954800000000, -0.0003617300000000 ] - [ -0.0003656700000000, -0.0002266200000000, -0.0003851300000000 ] - [ 0.0000437000000000, 0.0000470400000000, 0.0002093200000000 ] - [ 0.0012332200000000, 0.0009678400000000, -0.0014207500000000 ] - [ -0.0000714000000000, -0.0001811800000000, 0.0000044600000000 ] - [ 0.0000757500000000, 0.0000441900000000, -0.0002695600000000 ] - [ -0.0094593900000000, 0.0019448200000000, -0.0082557400000000 ] - [ 0.0001417200000000, 0.0009982800000000, -0.0008022200000000 ] - [ 0.0023293700000000, -0.0056680200000000, -0.0075603900000000 ] - [ -0.0000232700000000, 0.0010382100000000, -0.0001826100000000 ] - [ 0.0018921900000000, -0.0006260900000000, -0.0007109500000000 ] - [ 0.0000296300000000, -0.0004028800000000, 0.0001502800000000 ] - [ -0.0012012800000000, 0.0005483700000000, 0.0001426900000000 ] - [ -0.0005477400000000, -0.0007268900000000, 0.0001480900000000 ] - [ 0.0003370700000000, 0.0003694900000000, 0.0009648300000000 ] - [ -0.0054179700000000, 0.0027845000000000, -0.0075103600000000 ] - [ 0.0006261300000000, -0.0011308300000000, 0.0043122100000000 ] - [ 0.0005586500000000, 0.0000530500000000, 0.0049722900000000 ] - [ -0.0006475100000000, 0.0003554800000000, 0.0007482100000000 ] - [ -0.0009404900000000, 0.0005751900000000, 0.0040298400000000 ] - [ 0.0003983000000000, 0.0001243100000000, 0.0003208400000000 ] - [ 0.0005333700000000, 0.0002877200000000, 0.0007707800000000 ] - [ 0.0003510100000000, -0.0003271800000000, 0.0001829200000000 ] - [ -0.0014906500000000, -0.0012229200000000, -0.0002472800000000 ] - [ 0.0025265900000000, 0.0004170200000000, -0.0012015600000000 ] - [ -0.0005502800000000, 0.0008427600000000, -0.0023289400000000 ] - [ 0.0003452000000000, 0.0008630100000000, -0.0005266500000000 ] - [ -0.0003886400000000, -0.0002428500000000, 0.0000949100000000 ] - [ 0.0014181500000000, -0.0001424300000000, -0.0026247100000000 ] - [ 0.0014568500000000, 0.0003402200000000, -0.0015391500000000 ] - [ -0.0001209700000000, -0.0000091700000000, -0.0001351500000000 ] - [ 0.0001677700000000, -0.0019081300000000, 0.0007095200000000 ] - [ 0.0010960400000000, 0.0010830600000000, 0.0000222000000000 ] - [ 0.0001415800000000, 0.0000951500000000, -0.0013232800000000 ] - [ 0.0007763600000000, -0.0021528600000000, -0.0021677500000000 ] - [ -0.0001259700000000, -0.0003203900000000, -0.0001613400000000 ] - [ 0.0001440400000000, 0.0000695300000000, -0.0000533100000000 ] - [ 0.0012361100000000, -0.0009753500000000, 0.0000533600000000 ] - [ -0.0021140800000000, 0.0007017500000000, 0.0005814400000000 ] - [ 0.0000954900000000, -0.0002537000000000, -0.0000199400000000 ] - [ -0.0007912000000000, 0.0007058100000000, -0.0003023100000000 ] - [ 0.0000198000000000, 0.0002028400000000, -0.0001098500000000 ] - [ -0.0003228600000000, -0.0001622700000000, -0.0007923700000000 ] - [ -0.0005374900000000, 0.0002443600000000, 0.0008186600000000 ] - [ 0.0002034300000000, -0.0001413300000000, 0.0000078600000000 ] - [ -0.0001714800000000, 0.0002406300000000, -0.0006213900000000 ] - [ 0.0002421600000000, 0.0002145900000000, -0.0000474700000000 ] - [ 0.0001794500000000, 0.0001168900000000, -0.0004220400000000 ] - [ -0.0000123500000000, -0.0000821700000000, -0.0003066700000000 ] - [ -0.0000242700000000, -0.0004066000000000, -0.0000491300000000 ] - [ 0.0001375700000000, 0.0000469100000000, -0.0000838200000000 ] - [ -0.0003299500000000, 0.0001780300000000, -0.0000786000000000 ] - [ 0.0000845400000000, -0.0000348600000000, -0.0004405500000000 ] - [ -0.0000164100000000, 0.0000841400000000, -0.0000002600000000 ] - [ 0.0000526700000000, -0.0001065300000000, -0.0001083900000000 ] - [ 0.0002204300000000, 0.0001751600000000, -0.0004392700000000 ] - [ 0.0001293100000000, -0.0000924500000000, 0.0002482700000000 ] - [ 0.0002733600000000, 0.0000438800000000, 0.0004547200000000 ] - [ -0.0003121900000000, 0.0001435900000000, 0.0000682700000000 ] - [ -0.0000215600000000, -0.0001932500000000, 0.0000620700000000 ] - [ -0.0000061800000000, -0.0002657900000000, -0.0001837100000000 ] - [ -0.0001614600000000, 0.0002065800000000, 0.0004481600000000 ] - [ 0.0000531700000000, 0.0000569100000000, -0.0000223800000000 ] - [ 0.0003353100000000, 0.0001214100000000, -0.0000022100000000 ] - [ 0.0000112000000000, 0.0002045700000000, 0.0004131800000000 ] - [ 0.0002111100000000, -0.0000111100000000, -0.0005097200000000 ] - [ -0.0001419800000000, -0.0001200400000000, 0.0004358900000000 ] - [ 0.0001405800000000, -0.0000633100000000, 0.0001010900000000 ] - [ 0.0008499400000000, -0.0008058500000000, 0.0002108500000000 ] - [ -0.0002457100000000, 0.0002299900000000, -0.0005339900000000 ] - [ 0.0010791500000000, 0.0001914200000000, 0.0002278800000000 ] - [ -0.0002192400000000, -0.0001683300000000, -0.0005406800000000 ] - [ -0.0000951600000000, 0.0003247300000000, 0.0002477500000000 ] - [ -0.0005031000000000, 0.0001750000000000, -0.0007634600000000 ] - [ 0.0000385300000000, 0.0000338100000000, -0.0002973900000000 ] - [ 0.0000021300000000, 0.0000050000000000, 0.0025119100000000 ] - [ -0.0005876700000000, 0.0001392800000000, -0.0007044900000000 ] - [ 0.0001930000000000, 0.0000222400000000, -0.0002273500000000 ] - [ -0.0004907700000000, 0.0003832800000000, -0.0020464900000000 ] - [ 0.0000935200000000, 0.0000637300000000, -0.0003938500000000 ] - [ 0.0005376600000000, 0.0002507200000000, 0.0012617100000000 ] - [ 0.0000188500000000, -0.0002563000000000, 0.0003338900000000 ] - [ -0.0000639700000000, 0.0004775400000000, -0.0022719500000000 ] - [ -0.0001206000000000, -0.0000242200000000, -0.0002789600000000 ] - [ 0.0029658800000000, -0.0009751000000000, -0.0031814600000000 ] - [ -0.0009415400000000, -0.0010686400000000, 0.0031678600000000 ] - [ -0.0001069200000000, -0.0000893500000000, 0.0002709600000000 ] - [ -0.0002017800000000, -0.0001087600000000, -0.0000192800000000 ] - [ 0.0001882100000000, 0.0000848000000000, -0.0003975700000000 ] - [ -0.0002282200000000, 0.0002711400000000, -0.0005996200000000 ] - [ 0.0000052800000000, 0.0000570000000000, 0.0000868600000000 ] - [ 0.0000518700000000, -0.0002959800000000, 0.0000633700000000 ] - [ 0.0016628100000000, -0.0016673100000000, -0.0009911800000000 ] - [ -0.0000855500000000, -0.0000476700000000, -0.0001966900000000 ] - [ 0.0004115000000000, 0.0000752400000000, -0.0005176500000000 ] - [ 0.0000330700000000, 0.0002347900000000, 0.0000274300000000 ] - [ 0.0001854600000000, -0.0000334800000000, -0.0001332900000000 ] - [ -0.0002680800000000, -0.0005610800000000, -0.0001496800000000 ] - [ -0.0001482300000000, -0.0009260800000000, 0.0011571400000000 ] - [ 0.0001098900000000, 0.0000132400000000, -0.0001904000000000 ] - [ -0.0001740900000000, 0.0002327100000000, -0.0003348700000000 ] - [ -0.0001909000000000, -0.0002131600000000, -0.0002949700000000 ] - [ -0.0001649500000000, 0.0000263000000000, -0.0002625600000000 ] - [ 0.0005384200000000, 0.0010227000000000, 0.0001495000000000 ] - [ -0.0000816500000000, -0.0001099600000000, -0.0000578400000000 ] - [ 0.0000033500000000, 0.0001412400000000, 0.0002244800000000 ] - [ 0.0001875900000000, -0.0000825700000000, 0.0000649200000000 ] - [ -0.0001563800000000, 0.0001394600000000, 0.0002326800000000 ] - [ 0.0008044000000000, 0.0012529100000000, 0.0009081300000000 ] - [ 0.0003651600000000, 0.0001803700000000, -0.0003079400000000 ] - [ -0.0000260100000000, 0.0006116100000000, 0.0014649400000000 ] - [ -0.0000523500000000, -0.0003560200000000, -0.0001964400000000 ] - [ -0.0002241600000000, -0.0000519700000000, 0.0001018200000000 ] - [ -0.0003024700000000, 0.0000568800000000, 0.0001578500000000 ] - [ 0.0008133500000000, -0.0001545900000000, 0.0015995700000000 ] - [ 0.0001210800000000, 0.0000629100000000, 0.0000819300000000 ] - [ 0.0000644000000000, -0.0000823000000000, -0.0002257000000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000065404, 0.0000000000000000 ] forces: - [ -0.0009978000000000, 0.0009855400000000, 0.0003811100000000 ] - [ -0.0222364200000000, 0.0049133500000000, -0.0017045400000000 ] - [ 0.0001540000000000, 0.0004003900000000, -0.0001600700000000 ] - [ 0.0027564800000000, 0.0009870000000000, 0.0003727700000000 ] - [ 0.0009391400000000, -0.0019554400000000, 0.0000383400000000 ] - [ 0.0006892200000000, -0.0000862300000000, 0.0001241600000000 ] - [ 0.0007750400000000, -0.0000416400000000, -0.0001265700000000 ] - [ -0.0003315600000000, -0.0003125000000000, 0.0001251000000000 ] - [ 0.0001996300000000, -0.0000231600000000, -0.0001973500000000 ] - [ 0.0003399500000000, -0.0002488400000000, -0.0001268300000000 ] - [ 0.0000389200000000, -0.0003432600000000, 0.0001614200000000 ] - [ 0.0005094900000000, -0.0001652400000000, -0.0002914400000000 ] - [ -0.0000827200000000, 0.0001601000000000, 0.0000863500000000 ] - [ -0.0008956400000000, -0.0001444500000000, -0.0007442700000000 ] - [ 0.0005934900000000, -0.0000353500000000, 0.0003440700000000 ] - [ 0.0001999900000000, -0.0001012200000000, -0.0001639000000000 ] - [ -0.0001728100000000, -0.0002734700000000, 0.0013232200000000 ] - [ 0.0000603500000000, 0.0004860000000000, 0.0006262000000000 ] - [ 0.0000453200000000, 0.0003515500000000, 0.0001166200000000 ] - [ -0.0010685900000000, -0.0003537800000000, -0.0003073900000000 ] - [ 0.0000299600000000, 0.0000707700000000, -0.0001439100000000 ] - [ -0.0001235100000000, 0.0023413900000000, 0.0009498000000000 ] - [ -0.0011603200000000, -0.0021865700000000, 0.0085703400000000 ] - [ -0.0016317400000000, 0.0029169100000000, -0.0057412000000000 ] - [ 0.0030513500000000, 0.0005671600000000, 0.0004560300000000 ] - [ 0.0020688800000000, 0.0001840000000000, 0.0001934400000000 ] - [ 0.0020702800000000, -0.0010301800000000, -0.0006953900000000 ] - [ -0.0006066200000000, -0.0012659500000000, 0.0001833000000000 ] - [ 0.0013331700000000, -0.0016922300000000, 0.0009318400000000 ] - [ 0.0007818200000000, -0.0007733800000000, 0.0005501500000000 ] - [ -0.0009453400000000, -0.0000280400000000, 0.0009164200000000 ] - [ 0.0005219500000000, -0.0021235800000000, 0.0005845700000000 ] - [ 0.0025523100000000, -0.0073091300000000, -0.0001646900000000 ] - [ 0.0092280400000000, 0.0034711000000000, 0.0000615700000000 ] - [ 0.0006425900000000, 0.0009222100000000, 0.0002089900000000 ] - [ 0.0018149700000000, 0.0012379100000000, -0.0001168800000000 ] - [ -0.0036958700000000, 0.0030922400000000, 0.0006162500000000 ] - [ -0.0026388900000000, 0.0012528200000000, -0.0030194200000000 ] - [ -0.0006065400000000, 0.0013138600000000, 0.0003629900000000 ] - [ 0.0007104400000000, 0.0010639000000000, -0.0014097600000000 ] - [ 0.0019507800000000, -0.0021449200000000, -0.0010033600000000 ] - [ 0.0001446900000000, -0.0001291200000000, 0.0001132500000000 ] - [ 0.0030440600000000, 0.0002776700000000, -0.0001841300000000 ] - [ 0.0000022800000000, -0.0006009600000000, -0.0000501300000000 ] - [ 0.0008641900000000, -0.0012412200000000, 0.0002221600000000 ] - [ 0.0008077600000000, -0.0007138000000000, 0.0002428300000000 ] - [ -0.0004317100000000, -0.0011046500000000, -0.0008461200000000 ] - [ 0.0000879800000000, -0.0003995900000000, -0.0000447500000000 ] - [ -0.0002083200000000, -0.0004721100000000, -0.0003110300000000 ] - [ 0.0037393400000000, 0.0013795600000000, 0.0012256100000000 ] - [ 0.0057296500000000, -0.0008658800000000, -0.0012977700000000 ] - [ 0.0030767000000000, 0.0001368000000000, -0.0006442300000000 ] - [ -0.0003013100000000, 0.0000012200000000, -0.0001763000000000 ] - [ -0.0009907000000000, -0.0002619000000000, -0.0000561000000000 ] - [ -0.0014116600000000, -0.0002896400000000, -0.0004573300000000 ] - [ -0.0011364100000000, -0.0001459600000000, 0.0012039700000000 ] - [ -0.0003020300000000, 0.0001345200000000, 0.0000390800000000 ] - [ -0.0006044100000000, -0.0004287300000000, -0.0002938100000000 ] - [ -0.0005431400000000, -0.0002536000000000, 0.0004914100000000 ] - [ -0.0004820500000000, -0.0000357100000000, -0.0000291500000000 ] - [ -0.0009076800000000, 0.0005698800000000, 0.0001954100000000 ] - [ 0.0001602200000000, 0.0009366200000000, 0.0003048000000000 ] - [ -0.0002129400000000, -0.0002501300000000, -0.0003517900000000 ] - [ -0.0002022400000000, 0.0001973600000000, -0.0000955000000000 ] - [ -0.0006244800000000, -0.0000797400000000, -0.0000292700000000 ] - [ -0.0002091600000000, 0.0005657800000000, 0.0000915000000000 ] - [ -0.0009560700000000, 0.0001465200000000, -0.0001115900000000 ] - [ -0.0001761900000000, 0.0003194400000000, -0.0003397800000000 ] - [ -0.0016406100000000, 0.0003563500000000, -0.0003400100000000 ] - [ -0.0009959300000000, -0.0007332100000000, 0.0012070800000000 ] - [ 0.0000362000000000, -0.0002014700000000, -0.0000268900000000 ] - [ 0.0000128800000000, -0.0002244000000000, 0.0001165100000000 ] - [ -0.0002257800000000, 0.0003950900000000, -0.0004194100000000 ] - [ -0.0008429600000000, 0.0001325400000000, -0.0000873800000000 ] - [ -0.0002586100000000, 0.0010711800000000, -0.0003659300000000 ] - [ 0.0004739000000000, 0.0000199400000000, -0.0000273400000000 ] - [ -0.0004136900000000, 0.0000691300000000, 0.0000850200000000 ] - [ 0.0000408400000000, 0.0005826900000000, -0.0000602400000000 ] - [ 0.0002393800000000, 0.0006515100000000, -0.0000246200000000 ] - [ -0.0000201100000000, 0.0004375200000000, 0.0002078900000000 ] - [ 0.0001386500000000, 0.0001250200000000, -0.0003574000000000 ] - [ -0.0003201500000000, 0.0000249400000000, 0.0001743000000000 ] - [ -0.0005815900000000, -0.0003091700000000, 0.0002773000000000 ] - [ -0.0000866300000000, 0.0002891100000000, -0.0000505700000000 ] - [ -0.0002033500000000, 0.0006105300000000, -0.0003940500000000 ] - [ 0.0001208400000000, 0.0001753300000000, -0.0001651700000000 ] - [ -0.0010044600000000, 0.0005832900000000, -0.0003710300000000 ] - [ -0.0004514400000000, -0.0000199500000000, 0.0001693200000000 ] - [ -0.0001602300000000, 0.0000459000000000, -0.0003723700000000 ] - [ -0.0001577700000000, 0.0007828300000000, 0.0000948500000000 ] - [ 0.0003157800000000, -0.0000417200000000, 0.0002600900000000 ] - [ -0.0002176500000000, 0.0006315000000000, 0.0003873200000000 ] - [ -0.0007395800000000, 0.0008244600000000, 0.0003892200000000 ] - [ 0.0007287700000000, 0.0013503400000000, -0.0003818400000000 ] - [ -0.0001639500000000, -0.0002209400000000, -0.0001439500000000 ] - [ 0.0009712100000000, -0.0007386300000000, 0.0000486800000000 ] - [ 0.0005250200000000, -0.0000553700000000, 0.0003351100000000 ] - [ -0.0002854000000000, 0.0000123000000000, -0.0000925500000000 ] - [ -0.0009802600000000, -0.0013754400000000, 0.0024457700000000 ] - [ 0.0005081300000000, -0.0002158200000000, 0.0001019300000000 ] - [ -0.0000416600000000, -0.0006586700000000, 0.0004223800000000 ] - [ -0.0004454100000000, -0.0000755500000000, 0.0002618100000000 ] - [ -0.0009673900000000, 0.0001467100000000, -0.0001034100000000 ] - [ -0.0007247300000000, 0.0006978800000000, -0.0010170400000000 ] - [ -0.0005482700000000, 0.0002377000000000, -0.0001560900000000 ] - [ -0.0003755300000000, 0.0002995100000000, -0.0000396800000000 ] - [ -0.0006221100000000, -0.0000625300000000, -0.0000645400000000 ] - [ -0.0000235800000000, 0.0002094700000000, -0.0001224400000000 ] - [ -0.0008249500000000, -0.0014624100000000, -0.0001799200000000 ] - [ 0.0005193700000000, 0.0003436100000000, 0.0009861000000000 ] - [ -0.0007084900000000, -0.0001873500000000, -0.0008881500000000 ] - [ -0.0000063700000000, -0.0000960300000000, -0.0003576600000000 ] - [ -0.0002810700000000, -0.0003315700000000, 0.0000592100000000 ] - [ 0.0002159200000000, -0.0000316300000000, -0.0000107600000000 ] - [ 0.0001003700000000, -0.0030845600000000, -0.0000006200000000 ] - [ -0.0004302400000000, -0.0000421900000000, -0.0002358500000000 ] - [ -0.0000688700000000, -0.0005103700000000, -0.0000922500000000 ] - [ -0.0000828700000000, -0.0005022900000000, -0.0003512800000000 ] - [ 0.0028327900000000, 0.0008507600000000, -0.0002745800000000 ] - [ 0.0002500000000000, -0.0003332500000000, -0.0003149600000000 ] - [ -0.0000974800000000, -0.0005123100000000, 0.0005579000000000 ] - [ 0.0006492400000000, -0.0003024700000000, 0.0000027200000000 ] - [ -0.0000852800000000, -0.0000081800000000, -0.0003555300000000 ] - [ 0.0001676400000000, -0.0004392800000000, -0.0000689300000000 ] - [ 0.0003671500000000, -0.0004462900000000, -0.0002971600000000 ] - [ 0.0005503500000000, -0.0001751100000000, -0.0002349200000000 ] - [ 0.0000442800000000, -0.0005731700000000, -0.0001745300000000 ] - [ 0.0000424300000000, -0.0003864500000000, -0.0000176300000000 ] - [ 0.0014251000000000, 0.0005803000000000, -0.0001447400000000 ] - [ -0.0002153500000000, -0.0001070900000000, -0.0001310600000000 ] - [ 0.0001125600000000, 0.0002462100000000, 0.0000150800000000 ] - [ 0.0000914300000000, 0.0002089500000000, -0.0002704100000000 ]- atom: 2 displacement: [ -0.0100000000000000, -0.0000000000065404, 0.0000000000000000 ] forces: - [ 0.0009171400000000, -0.0010722800000000, -0.0001252200000000 ] - [ 0.0220202300000000, -0.0051924000000000, 0.0012731400000000 ] - [ -0.0002103100000000, -0.0002941700000000, -0.0001685400000000 ] - [ -0.0027335700000000, -0.0009765200000000, 0.0002254400000000 ] - [ -0.0008315300000000, 0.0019194700000000, 0.0002181100000000 ] - [ -0.0007233900000000, 0.0001935200000000, 0.0001339500000000 ] - [ -0.0006536600000000, 0.0000383900000000, -0.0002023900000000 ] - [ 0.0002571500000000, 0.0002331100000000, 0.0001085800000000 ] - [ -0.0002615900000000, -0.0000851600000000, -0.0001324700000000 ] - [ -0.0004016200000000, 0.0003565500000000, -0.0002024100000000 ] - [ -0.0000385700000000, 0.0003435600000000, 0.0004265900000000 ] - [ -0.0004033500000000, 0.0001433500000000, 0.0005274000000000 ] - [ 0.0000484200000000, -0.0000573500000000, 0.0001494500000000 ] - [ 0.0010246900000000, 0.0001408400000000, 0.0004090300000000 ] - [ -0.0006656900000000, -0.0000436100000000, -0.0001075700000000 ] - [ -0.0002612200000000, -0.0000065800000000, -0.0001851800000000 ] - [ 0.0001201800000000, 0.0003806900000000, -0.0016780600000000 ] - [ -0.0000576300000000, -0.0004880000000000, -0.0000214500000000 ] - [ 0.0000585900000000, -0.0003738300000000, 0.0001213200000000 ] - [ 0.0010296000000000, 0.0004615000000000, 0.0005568600000000 ] - [ 0.0000943700000000, -0.0000692900000000, -0.0002049900000000 ] - [ -0.0011487500000000, -0.0018370500000000, -0.0004275300000000 ] - [ 0.0013321600000000, 0.0008364900000000, -0.0080200500000000 ] - [ 0.0023455700000000, -0.0019551900000000, 0.0068254900000000 ] - [ -0.0019855100000000, 0.0002838600000000, 0.0000663500000000 ] - [ -0.0016014500000000, -0.0013222300000000, 0.0008841100000000 ] - [ -0.0032843700000000, 0.0011893500000000, 0.0017659900000000 ] - [ -0.0006729400000000, 0.0017540300000000, 0.0003778300000000 ] - [ -0.0011220400000000, 0.0003500400000000, -0.0003704300000000 ] - [ -0.0000283900000000, 0.0017487200000000, 0.0004812500000000 ] - [ 0.0020057700000000, 0.0008840000000000, -0.0003527000000000 ] - [ -0.0000531700000000, 0.0009758200000000, 0.0004463000000000 ] - [ -0.0037493200000000, 0.0075110700000000, 0.0012080000000000 ] - [ -0.0105684800000000, -0.0030010700000000, 0.0005071500000000 ] - [ -0.0004414300000000, -0.0022720200000000, 0.0003625500000000 ] - [ -0.0010668500000000, -0.0002806200000000, 0.0011916300000000 ] - [ 0.0047923300000000, -0.0022128200000000, -0.0000487100000000 ] - [ 0.0031344100000000, -0.0023878100000000, 0.0040929700000000 ] - [ -0.0005947600000000, -0.0011503000000000, 0.0007084000000000 ] - [ -0.0006799800000000, -0.0011194400000000, 0.0011080700000000 ] - [ -0.0021494500000000, 0.0019207600000000, 0.0010275500000000 ] - [ 0.0000728000000000, 0.0003103200000000, -0.0001312700000000 ] - [ -0.0036279200000000, 0.0001496400000000, 0.0001183800000000 ] - [ -0.0001638200000000, 0.0005140200000000, 0.0001622600000000 ] - [ -0.0008632600000000, 0.0006753300000000, -0.0003091900000000 ] - [ -0.0010851700000000, 0.0008122300000000, -0.0002521100000000 ] - [ 0.0003307900000000, 0.0012570100000000, 0.0007087000000000 ] - [ 0.0005849300000000, 0.0006948300000000, -0.0000207400000000 ] - [ 0.0001713700000000, 0.0008335200000000, 0.0006127900000000 ] - [ -0.0031798800000000, -0.0012762100000000, -0.0022199000000000 ] - [ -0.0056910200000000, 0.0005494800000000, 0.0017929200000000 ] - [ -0.0029361000000000, -0.0002524400000000, 0.0007605200000000 ] - [ 0.0004887300000000, 0.0000135900000000, 0.0000441700000000 ] - [ 0.0006366900000000, 0.0007121500000000, -0.0007775600000000 ] - [ 0.0013307000000000, 0.0001221300000000, 0.0003243200000000 ] - [ 0.0009304800000000, -0.0003935900000000, -0.0020276300000000 ] - [ 0.0001471300000000, 0.0001523100000000, -0.0000247900000000 ] - [ 0.0003545600000000, 0.0000689800000000, -0.0006149700000000 ] - [ 0.0005452400000000, 0.0002524200000000, 0.0001687500000000 ] - [ 0.0008184800000000, -0.0001107800000000, 0.0003286300000000 ] - [ 0.0007161000000000, -0.0001729300000000, -0.0011004900000000 ] - [ 0.0003312800000000, -0.0006499600000000, -0.0003879600000000 ] - [ 0.0007811400000000, 0.0003411700000000, -0.0004811100000000 ] - [ 0.0001403400000000, -0.0002069200000000, -0.0002081200000000 ] - [ 0.0005439400000000, -0.0006543500000000, -0.0000344800000000 ] - [ 0.0005348100000000, -0.0005689000000000, -0.0000743800000000 ] - [ 0.0004650600000000, 0.0001366200000000, 0.0000260500000000 ] - [ 0.0002064200000000, -0.0002600600000000, 0.0000386900000000 ] - [ 0.0016496500000000, -0.0001769700000000, 0.0004532900000000 ] - [ 0.0010461100000000, 0.0004568800000000, -0.0012315400000000 ] - [ 0.0000542100000000, 0.0002205400000000, -0.0002967800000000 ] - [ -0.0002045000000000, -0.0000309200000000, 0.0000659800000000 ] - [ 0.0004940800000000, -0.0002711100000000, 0.0005093500000000 ] - [ 0.0002550700000000, 0.0003054300000000, -0.0000892400000000 ] - [ 0.0001262400000000, -0.0011141100000000, 0.0005711700000000 ] - [ -0.0004701700000000, -0.0005938600000000, -0.0002251000000000 ] - [ 0.0001709100000000, 0.0001062900000000, 0.0000050100000000 ] - [ -0.0001437000000000, -0.0004425400000000, -0.0000401100000000 ] - [ 0.0004358100000000, -0.0003605000000000, -0.0001534300000000 ] - [ 0.0000054000000000, -0.0000158000000000, 0.0001566200000000 ] - [ 0.0002704500000000, -0.0001971300000000, -0.0005286600000000 ] - [ -0.0000380800000000, -0.0002555300000000, 0.0001907500000000 ] - [ 0.0006847400000000, 0.0002140900000000, -0.0000713700000000 ] - [ 0.0002641500000000, -0.0002680900000000, -0.0000483800000000 ] - [ -0.0001393900000000, -0.0001720100000000, -0.0005025600000000 ] - [ -0.0001921200000000, -0.0003377600000000, 0.0000663100000000 ] - [ 0.0007957000000000, -0.0010982500000000, -0.0005265700000000 ] - [ 0.0003233400000000, 0.0003102500000000, 0.0000108100000000 ] - [ -0.0001089400000000, -0.0003619000000000, -0.0005109400000000 ] - [ 0.0001564800000000, -0.0007825600000000, 0.0003115400000000 ] - [ 0.0000596800000000, -0.0001518800000000, 0.0001042100000000 ] - [ 0.0000743000000000, -0.0002431000000000, -0.0012746700000000 ] - [ 0.0012331400000000, -0.0005482800000000, -0.0006426200000000 ] - [ -0.0001820200000000, -0.0012663700000000, -0.0005153200000000 ] - [ 0.0001393300000000, 0.0001256100000000, -0.0001829000000000 ] - [ -0.0010605000000000, 0.0000110500000000, -0.0002265800000000 ] - [ -0.0002126100000000, 0.0000259100000000, -0.0001536500000000 ] - [ -0.0002055300000000, 0.0002744000000000, -0.0001611900000000 ] - [ 0.0009047200000000, 0.0014541800000000, -0.0027873200000000 ] - [ -0.0004785700000000, 0.0003498400000000, 0.0001057400000000 ] - [ 0.0000155400000000, 0.0003671400000000, -0.0003374000000000 ] - [ 0.0005129600000000, 0.0000648100000000, -0.0003581200000000 ] - [ 0.0007282000000000, -0.0003508000000000, 0.0001248800000000 ] - [ 0.0009879600000000, -0.0005746400000000, 0.0008792100000000 ] - [ -0.0000448000000000, 0.0001971900000000, -0.0000980100000000 ] - [ 0.0002503200000000, -0.0003383100000000, 0.0000410900000000 ] - [ 0.0006199200000000, -0.0005088700000000, 0.0000284200000000 ] - [ -0.0002187500000000, -0.0000387600000000, -0.0000162300000000 ] - [ 0.0007229600000000, 0.0016136500000000, -0.0000769600000000 ] - [ -0.0000630000000000, 0.0000274400000000, -0.0013030800000000 ] - [ 0.0006959700000000, 0.0006134200000000, 0.0011714500000000 ] - [ 0.0004241600000000, 0.0000510800000000, -0.0003325400000000 ] - [ -0.0000790900000000, 0.0001016100000000, 0.0002176400000000 ] - [ -0.0001223600000000, -0.0000583800000000, 0.0000111100000000 ] - [ 0.0000504200000000, 0.0031159300000000, -0.0002565700000000 ] - [ 0.0001214500000000, 0.0004748500000000, -0.0005493500000000 ] - [ -0.0000069600000000, 0.0003462200000000, -0.0001640100000000 ] - [ -0.0001401200000000, 0.0000240400000000, -0.0004345500000000 ] - [ -0.0028812400000000, -0.0005333900000000, 0.0003028300000000 ] - [ -0.0005040700000000, -0.0000036900000000, -0.0003748800000000 ] - [ 0.0000950900000000, 0.0005146400000000, -0.0000730800000000 ] - [ -0.0002750900000000, 0.0001044400000000, 0.0002699900000000 ] - [ -0.0000826900000000, 0.0003925400000000, -0.0003346200000000 ] - [ 0.0003258000000000, 0.0007206600000000, 0.0000347400000000 ] - [ 0.0001578100000000, 0.0004996600000000, -0.0004871800000000 ] - [ -0.0005866400000000, 0.0001144800000000, 0.0001339900000000 ] - [ -0.0001232300000000, -0.0001654900000000, -0.0000789000000000 ] - [ 0.0002540300000000, 0.0002910400000000, 0.0000394800000000 ] - [ -0.0019145300000000, -0.0002926000000000, 0.0001096100000000 ] - [ 0.0001924000000000, 0.0001713400000000, 0.0000359800000000 ] - [ -0.0000824100000000, -0.0001236700000000, -0.0000143500000000 ] - [ -0.0001128200000000, -0.0005003600000000, 0.0001302000000000 ]- atom: 2 displacement: [ -0.0050000000104457, 0.0086602540318135, 0.0000000000000000 ] forces: - [ 0.0014377100000000, 0.0019815100000000, 0.0001116400000000 ] - [ 0.0154698600000000, -0.0283796700000000, -0.0005909600000000 ] - [ 0.0001847900000000, 0.0003009500000000, -0.0001621300000000 ] - [ -0.0005846100000000, -0.0012192400000000, 0.0004894100000000 ] - [ -0.0021673100000000, 0.0017606800000000, 0.0000334000000000 ] - [ -0.0004988900000000, 0.0000995600000000, 0.0001491700000000 ] - [ -0.0003346300000000, -0.0000186000000000, -0.0001834700000000 ] - [ -0.0001018200000000, 0.0004562800000000, -0.0001873900000000 ] - [ -0.0001881500000000, 0.0001266600000000, -0.0001813400000000 ] - [ -0.0004200100000000, 0.0003315500000000, -0.0002182600000000 ] - [ -0.0003033700000000, 0.0005384500000000, 0.0004504900000000 ] - [ -0.0003386200000000, -0.0002612100000000, 0.0004525400000000 ] - [ 0.0001245900000000, 0.0003532400000000, 0.0001628700000000 ] - [ 0.0004610100000000, 0.0000570700000000, 0.0015377200000000 ] - [ -0.0003336300000000, -0.0002005900000000, 0.0000056500000000 ] - [ -0.0001190600000000, 0.0001678800000000, -0.0001888000000000 ] - [ -0.0002751400000000, -0.0005028400000000, -0.0014060100000000 ] - [ 0.0004489800000000, -0.0002036200000000, 0.0004025700000000 ] - [ 0.0003412300000000, 0.0001736300000000, 0.0000589300000000 ] - [ 0.0001618400000000, 0.0001382600000000, 0.0021284000000000 ] - [ 0.0000806600000000, 0.0004386200000000, -0.0000018100000000 ] - [ 0.0006194000000000, -0.0003141100000000, 0.0005369500000000 ] - [ -0.0002718600000000, -0.0026840200000000, -0.0066962400000000 ] - [ 0.0033316800000000, -0.0022568000000000, -0.0022601600000000 ] - [ -0.0008353600000000, -0.0003044100000000, 0.0001869100000000 ] - [ 0.0001042200000000, -0.0009029600000000, 0.0005286500000000 ] - [ -0.0024512100000000, -0.0003665900000000, 0.0014162400000000 ] - [ -0.0019674900000000, 0.0021961300000000, 0.0006631800000000 ] - [ -0.0014683200000000, 0.0004100500000000, -0.0003750700000000 ] - [ -0.0014175100000000, 0.0037239600000000, 0.0004070700000000 ] - [ 0.0007960700000000, 0.0025790700000000, -0.0013950400000000 ] - [ -0.0007014200000000, 0.0024900200000000, 0.0004857100000000 ] - [ -0.0105600700000000, 0.0075765500000000, 0.0002258200000000 ] - [ -0.0035593900000000, -0.0058126200000000, 0.0006328600000000 ] - [ 0.0013722000000000, -0.0000769300000000, 0.0002641500000000 ] - [ 0.0003662100000000, 0.0000803200000000, 0.0007928600000000 ] - [ 0.0070896800000000, 0.0091407200000000, -0.0007072000000000 ] - [ 0.0034810600000000, -0.0037249500000000, -0.0006104300000000 ] - [ 0.0006298800000000, 0.0008096900000000, 0.0000559100000000 ] - [ 0.0000886800000000, -0.0016988100000000, 0.0016220600000000 ] - [ -0.0005646900000000, 0.0073354200000000, 0.0036713600000000 ] - [ -0.0002118000000000, -0.0000170800000000, -0.0001517200000000 ] - [ -0.0019289700000000, 0.0017987800000000, 0.0002103600000000 ] - [ -0.0003696000000000, -0.0005322400000000, 0.0000450100000000 ] - [ -0.0003940100000000, -0.0003108000000000, 0.0004161300000000 ] - [ -0.0017983400000000, -0.0002704700000000, 0.0021273300000000 ] - [ -0.0000936900000000, 0.0016068600000000, 0.0000107800000000 ] - [ 0.0001737700000000, -0.0001529900000000, -0.0000189300000000 ] - [ -0.0004224000000000, 0.0002995700000000, -0.0000502700000000 ] - [ -0.0005548200000000, 0.0022615900000000, 0.0003071700000000 ] - [ -0.0034552300000000, 0.0019991800000000, 0.0016083700000000 ] - [ -0.0041323700000000, 0.0025446800000000, 0.0022188600000000 ] - [ 0.0000143800000000, 0.0002691300000000, -0.0000372000000000 ] - [ -0.0006720500000000, 0.0002152100000000, -0.0002856800000000 ] - [ 0.0011138700000000, 0.0002734500000000, 0.0002088900000000 ] - [ 0.0001168300000000, 0.0011167200000000, -0.0014085600000000 ] - [ 0.0000363000000000, -0.0001590500000000, 0.0000546800000000 ] - [ -0.0000246200000000, -0.0001027500000000, -0.0005268100000000 ] - [ -0.0000809000000000, 0.0005180400000000, 0.0003251800000000 ] - [ 0.0004555000000000, 0.0000330900000000, 0.0001706000000000 ] - [ 0.0005673400000000, 0.0002930100000000, -0.0010341800000000 ] - [ 0.0008591300000000, -0.0003381700000000, -0.0006253000000000 ] - [ 0.0005625400000000, 0.0005091000000000, -0.0004467500000000 ] - [ 0.0002247200000000, -0.0004967100000000, -0.0004531200000000 ] - [ 0.0001948800000000, -0.0003975500000000, -0.0000248600000000 ] - [ 0.0006611500000000, -0.0008079600000000, -0.0001017700000000 ] - [ 0.0001682500000000, 0.0001839600000000, -0.0000079500000000 ] - [ 0.0004437800000000, -0.0003989500000000, 0.0001915300000000 ] - [ 0.0006249300000000, 0.0001615100000000, 0.0002071100000000 ] - [ 0.0004172800000000, 0.0002560400000000, -0.0006218400000000 ] - [ -0.0006131100000000, -0.0008010000000000, 0.0009323800000000 ] - [ -0.0001871700000000, -0.0003131500000000, 0.0001248000000000 ] - [ 0.0005486600000000, 0.0000204300000000, 0.0005238400000000 ] - [ 0.0000608600000000, 0.0000935500000000, -0.0000409000000000 ] - [ 0.0003407800000000, -0.0003815500000000, 0.0007962200000000 ] - [ 0.0006488600000000, -0.0019743600000000, 0.0001277200000000 ] - [ -0.0000252200000000, 0.0002187500000000, 0.0001476700000000 ] - [ -0.0000555200000000, -0.0006704800000000, -0.0000662400000000 ] - [ 0.0005402700000000, -0.0001241600000000, -0.0001601600000000 ] - [ 0.0001751100000000, -0.0000899400000000, 0.0001344500000000 ] - [ 0.0004306200000000, -0.0004425300000000, -0.0004069800000000 ] - [ 0.0000200700000000, -0.0002378500000000, 0.0002059600000000 ] - [ 0.0004726300000000, 0.0001748400000000, -0.0000313100000000 ] - [ 0.0007485600000000, -0.0007940300000000, -0.0000286000000000 ] - [ 0.0003953100000000, -0.0002996100000000, -0.0005236300000000 ] - [ 0.0004135000000000, -0.0002313800000000, 0.0001532400000000 ] - [ 0.0014940500000000, -0.0016162600000000, -0.0005780100000000 ] - [ 0.0000293900000000, 0.0000558600000000, 0.0000862900000000 ] - [ -0.0000398000000000, -0.0005360700000000, -0.0005424000000000 ] - [ 0.0006165700000000, -0.0012058800000000, 0.0003178100000000 ] - [ 0.0002055400000000, -0.0003463300000000, 0.0001977900000000 ] - [ 0.0007158900000000, -0.0002604400000000, -0.0017662000000000 ] - [ 0.0014188700000000, 0.0009232800000000, -0.0004824100000000 ] - [ 0.0002118700000000, -0.0021930900000000, -0.0004778500000000 ] - [ -0.0000412500000000, -0.0000699600000000, -0.0002096000000000 ] - [ -0.0004225900000000, -0.0002217200000000, 0.0000485200000000 ] - [ -0.0001015600000000, 0.0011838200000000, 0.0001589700000000 ] - [ -0.0004774500000000, -0.0003543700000000, -0.0000700500000000 ] - [ -0.0003171900000000, 0.0017206100000000, -0.0014520400000000 ] - [ -0.0009000400000000, -0.0000355600000000, -0.0003707600000000 ] - [ -0.0002912700000000, -0.0001133500000000, 0.0002727100000000 ] - [ 0.0003462400000000, 0.0001356300000000, -0.0002629300000000 ] - [ 0.0003738500000000, -0.0002229200000000, 0.0000528600000000 ] - [ 0.0013981300000000, -0.0003155800000000, 0.0012521700000000 ] - [ -0.0003917600000000, 0.0000054600000000, -0.0000994100000000 ] - [ 0.0001962700000000, -0.0000667100000000, 0.0000790200000000 ] - [ 0.0002404200000000, -0.0002249700000000, 0.0000138800000000 ] - [ -0.0000516400000000, -0.0005335400000000, -0.0002350300000000 ] - [ -0.0000145400000000, 0.0007980100000000, -0.0000607100000000 ] - [ 0.0010784500000000, 0.0027320200000000, -0.0008967300000000 ] - [ 0.0001832700000000, 0.0009155000000000, 0.0005931600000000 ] - [ 0.0001948600000000, 0.0000327900000000, -0.0003385600000000 ] - [ -0.0003244600000000, -0.0001983600000000, 0.0001596700000000 ] - [ -0.0002912900000000, -0.0004993600000000, 0.0001356900000000 ] - [ -0.0029213500000000, 0.0020147700000000, -0.0001001900000000 ] - [ -0.0004667400000000, 0.0004617300000000, -0.0003927900000000 ] - [ -0.0017143800000000, -0.0005794700000000, -0.0001937300000000 ] - [ -0.0003616300000000, -0.0001756500000000, -0.0003683100000000 ] - [ -0.0011847200000000, 0.0019740600000000, -0.0002230400000000 ] - [ -0.0004692800000000, 0.0002229800000000, -0.0003175900000000 ] - [ -0.0004370200000000, 0.0001543900000000, 0.0003296000000000 ] - [ -0.0005308300000000, -0.0006828100000000, -0.0008800700000000 ] - [ -0.0002481300000000, 0.0000767500000000, -0.0003244200000000 ] - [ -0.0000262300000000, -0.0001188200000000, 0.0000071000000000 ] - [ -0.0000595300000000, -0.0000479800000000, -0.0002844600000000 ] - [ -0.0003886000000000, 0.0010265200000000, 0.0010600100000000 ] - [ 0.0004899800000000, -0.0016304000000000, -0.0002704700000000 ] - [ 0.0000670400000000, -0.0002274000000000, -0.0000316000000000 ] - [ -0.0009106700000000, 0.0002289500000000, 0.0001615700000000 ] - [ -0.0001103300000000, 0.0000372000000000, -0.0000890700000000 ] - [ 0.0004299000000000, -0.0003324500000000, -0.0000233300000000 ] - [ 0.0002664700000000, -0.0007318900000000, -0.0000888300000000 ]- atom: 2 displacement: [ 0.0050000000104457, -0.0086602540318135, 0.0000000000000000 ] forces: - [ -0.0014998800000000, -0.0020559400000000, 0.0001431100000000 ] - [ -0.0154108900000000, 0.0281392700000000, 0.0000860000000000 ] - [ -0.0002424700000000, -0.0001975800000000, -0.0001666500000000 ] - [ 0.0005757300000000, 0.0012217800000000, 0.0001063700000000 ] - [ 0.0022949300000000, -0.0017974900000000, 0.0002248800000000 ] - [ 0.0004633000000000, 0.0000050900000000, 0.0001086600000000 ] - [ 0.0004565800000000, 0.0000178600000000, -0.0001457800000000 ] - [ 0.0000276200000000, -0.0005360200000000, 0.0004232900000000 ] - [ 0.0001249200000000, -0.0002367000000000, -0.0001480100000000 ] - [ 0.0003591500000000, -0.0002217200000000, -0.0001105900000000 ] - [ 0.0003031100000000, -0.0005375900000000, 0.0001379300000000 ] - [ 0.0004443200000000, 0.0002356800000000, -0.0002174200000000 ] - [ -0.0001574300000000, -0.0002492300000000, 0.0000732800000000 ] - [ -0.0003300700000000, -0.0000606800000000, -0.0018594500000000 ] - [ 0.0002617400000000, 0.0001211400000000, 0.0002317500000000 ] - [ 0.0000582900000000, -0.0002738000000000, -0.0001606800000000 ] - [ 0.0002223100000000, 0.0006035600000000, 0.0010561900000000 ] - [ -0.0004478800000000, 0.0002049700000000, 0.0002025700000000 ] - [ -0.0002364600000000, -0.0001973100000000, 0.0001786100000000 ] - [ -0.0002003400000000, -0.0000280800000000, -0.0018967100000000 ] - [ 0.0000426500000000, -0.0004392800000000, -0.0003485300000000 ] - [ -0.0018879800000000, 0.0008037400000000, -0.0000164600000000 ] - [ 0.0004540600000000, 0.0013650500000000, 0.0072213200000000 ] - [ -0.0026006900000000, 0.0031904400000000, 0.0033876200000000 ] - [ 0.0018949900000000, 0.0011551900000000, 0.0003333200000000 ] - [ 0.0003555800000000, -0.0002419500000000, 0.0005518400000000 ] - [ 0.0012332100000000, 0.0005404600000000, -0.0003404800000000 ] - [ 0.0006931400000000, -0.0017069900000000, -0.0001047100000000 ] - [ 0.0016748100000000, -0.0017577100000000, 0.0009357100000000 ] - [ 0.0021697600000000, -0.0027588500000000, 0.0006234600000000 ] - [ 0.0002696000000000, -0.0017177900000000, 0.0019484700000000 ] - [ 0.0011733700000000, -0.0036270400000000, 0.0005441700000000 ] - [ 0.0092753300000000, -0.0073622400000000, 0.0008101400000000 ] - [ 0.0023074000000000, 0.0062883800000000, -0.0000579500000000 ] - [ -0.0011693400000000, -0.0012624900000000, 0.0003086600000000 ] - [ 0.0003838300000000, 0.0008837900000000, 0.0002782600000000 ] - [ -0.0060772000000000, -0.0083272500000000, 0.0012811300000000 ] - [ -0.0030053600000000, 0.0026138300000000, 0.0016694100000000 ] - [ -0.0018367200000000, -0.0006465100000000, 0.0010182500000000 ] - [ -0.0000520100000000, 0.0016317600000000, -0.0019117000000000 ] - [ 0.0001786100000000, -0.0070686400000000, -0.0034418500000000 ] - [ 0.0004297200000000, 0.0001978900000000, 0.0001335300000000 ] - [ 0.0013400200000000, -0.0013721200000000, -0.0002722400000000 ] - [ 0.0002068800000000, 0.0004442400000000, 0.0000674400000000 ] - [ 0.0003882900000000, -0.0002491800000000, -0.0005014400000000 ] - [ 0.0015412400000000, 0.0003650500000000, -0.0021560600000000 ] - [ -0.0000061700000000, -0.0014498900000000, -0.0001422400000000 ] - [ 0.0005008000000000, 0.0004507100000000, -0.0000470500000000 ] - [ 0.0003849500000000, 0.0000676800000000, 0.0003550800000000 ] - [ 0.0010073000000000, -0.0022779900000000, -0.0012423500000000 ] - [ 0.0033299600000000, -0.0022556800000000, -0.0012028300000000 ] - [ 0.0043756400000000, -0.0030589100000000, -0.0022270900000000 ] - [ 0.0001736900000000, -0.0002527400000000, -0.0000944400000000 ] - [ 0.0003213000000000, 0.0002381700000000, -0.0005499700000000 ] - [ -0.0011925800000000, -0.0004422000000000, -0.0003407400000000 ] - [ -0.0003168700000000, -0.0016639300000000, 0.0005735300000000 ] - [ -0.0001890200000000, 0.0004485700000000, -0.0000409300000000 ] - [ -0.0002227700000000, -0.0002543700000000, -0.0003836200000000 ] - [ 0.0000853600000000, -0.0005187200000000, 0.0003332800000000 ] - [ -0.0001162200000000, -0.0001801300000000, 0.0001313400000000 ] - [ -0.0007569700000000, 0.0000981600000000, 0.0001269700000000 ] - [ -0.0003728900000000, 0.0006204800000000, 0.0005449800000000 ] - [ 0.0000064900000000, -0.0004173800000000, -0.0003872600000000 ] - [ -0.0002860300000000, 0.0004893800000000, 0.0001515800000000 ] - [ -0.0002757100000000, -0.0003381200000000, -0.0000389100000000 ] - [ -0.0003371200000000, 0.0008026300000000, 0.0001182900000000 ] - [ -0.0006564800000000, 0.0001009700000000, -0.0000780500000000 ] - [ -0.0004140800000000, 0.0004574200000000, -0.0004919900000000 ] - [ -0.0006223700000000, 0.0000202600000000, -0.0000956500000000 ] - [ -0.0003719000000000, -0.0005352500000000, 0.0006030400000000 ] - [ 0.0007081400000000, 0.0008243500000000, -0.0012632800000000 ] - [ -0.0000025200000000, 0.0000580200000000, 0.0000578300000000 ] - [ -0.0002800700000000, 0.0001006000000000, -0.0004326700000000 ] - [ -0.0006461900000000, 0.0003463100000000, -0.0001362400000000 ] - [ -0.0004741800000000, 0.0003304100000000, -0.0005948000000000 ] - [ -0.0006474500000000, 0.0014095500000000, -0.0003819500000000 ] - [ -0.0002167000000000, -0.0000423300000000, -0.0000571600000000 ] - [ -0.0000471000000000, 0.0008121300000000, -0.0000342700000000 ] - [ 0.0001335000000000, 0.0004108200000000, -0.0000179300000000 ] - [ -0.0001903500000000, 0.0005108900000000, 0.0002301400000000 ] - [ -0.0000211000000000, 0.0003712400000000, -0.0004798900000000 ] - [ -0.0003773900000000, 0.0000082700000000, 0.0001585300000000 ] - [ -0.0003681100000000, -0.0002680300000000, 0.0002371900000000 ] - [ -0.0005705300000000, 0.0008141900000000, -0.0000704900000000 ] - [ -0.0007394600000000, 0.0007379900000000, -0.0003732300000000 ] - [ -0.0004820100000000, 0.0000696200000000, -0.0002513100000000 ] - [ -0.0016978500000000, 0.0011007800000000, -0.0003206300000000 ] - [ -0.0001594400000000, 0.0002321400000000, 0.0000944800000000 ] - [ -0.0002300400000000, 0.0002186300000000, -0.0003415000000000 ] - [ -0.0006164800000000, 0.0012035000000000, 0.0000884100000000 ] - [ 0.0001696100000000, 0.0001522800000000, 0.0001660800000000 ] - [ -0.0008537300000000, 0.0006483900000000, 0.0008734500000000 ] - [ -0.0009238100000000, -0.0006331700000000, 0.0002303100000000 ] - [ 0.0003361800000000, 0.0022695700000000, -0.0004197500000000 ] - [ 0.0000161800000000, -0.0000277400000000, -0.0001187400000000 ] - [ 0.0003276600000000, -0.0005011700000000, -0.0002267500000000 ] - [ 0.0004147700000000, -0.0012100000000000, 0.0000235700000000 ] - [ -0.0000159800000000, 0.0006387600000000, -0.0001836100000000 ] - [ 0.0002406000000000, -0.0016483200000000, 0.0011277500000000 ] - [ 0.0009227300000000, 0.0001702900000000, 0.0005755700000000 ] - [ 0.0002645500000000, -0.0001746200000000, -0.0001904200000000 ] - [ -0.0002782200000000, -0.0001469900000000, 0.0001662500000000 ] - [ -0.0006114600000000, 0.0000168500000000, -0.0000312500000000 ] - [ -0.0011306200000000, 0.0004418300000000, -0.0013856400000000 ] - [ -0.0002032400000000, 0.0004275900000000, -0.0001545400000000 ] - [ -0.0003219200000000, 0.0000312700000000, -0.0000772900000000 ] - [ -0.0002420400000000, -0.0003467500000000, -0.0000497000000000 ] - [ -0.0001912400000000, 0.0007024100000000, 0.0000972000000000 ] - [ -0.0000908200000000, -0.0006557100000000, -0.0001968100000000 ] - [ -0.0005292700000000, -0.0023730500000000, 0.0006119000000000 ] - [ -0.0001998400000000, -0.0004902700000000, -0.0003157000000000 ] - [ 0.0002227700000000, -0.0000787400000000, -0.0003509400000000 ] - [ -0.0000359500000000, -0.0000323800000000, 0.0001175300000000 ] - [ 0.0003826000000000, 0.0004075900000000, -0.0001347100000000 ] - [ 0.0031009700000000, -0.0020095100000000, -0.0001541800000000 ] - [ 0.0001580700000000, -0.0000303200000000, -0.0003911500000000 ] - [ 0.0016474700000000, 0.0004152200000000, -0.0000623900000000 ] - [ 0.0001400000000000, -0.0003046100000000, -0.0004173600000000 ] - [ 0.0011329300000000, -0.0016607600000000, 0.0002365500000000 ] - [ 0.0002167200000000, -0.0005612800000000, -0.0003709100000000 ] - [ 0.0004363900000000, -0.0001555500000000, 0.0001552300000000 ] - [ 0.0009118800000000, 0.0004872400000000, 0.0011598300000000 ] - [ 0.0000809500000000, 0.0003076700000000, -0.0003650000000000 ] - [ 0.0005194700000000, 0.0004024100000000, -0.0000411100000000 ] - [ 0.0005859300000000, 0.0000990100000000, -0.0005005500000000 ] - [ 0.0003502500000000, -0.0010884500000000, -0.0011627500000000 ] - [ -0.0005702100000000, 0.0008976000000000, 0.0000181400000000 ] - [ 0.0002299200000000, 0.0001358800000000, 0.0000541500000000 ] - [ 0.0004198300000000, 0.0000548600000000, -0.0001962800000000 ] - [ 0.0000877200000000, 0.0000282900000000, -0.0000065800000000 ] - [ -0.0004008700000000, 0.0004556800000000, 0.0000249400000000 ] - [ -0.0002897000000000, 0.0004416000000000, -0.0000492100000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002121400000000, -0.0000367900000000, -0.0008448700000000 ] - [ -0.0015999300000000, -0.0013515500000000, -0.0248200200000000 ] - [ -0.0000470500000000, 0.0000199300000000, -0.0003134700000000 ] - [ 0.0000783500000000, 0.0003207100000000, -0.0006919800000000 ] - [ 0.0000543800000000, -0.0002483600000000, -0.0007577300000000 ] - [ -0.0000499100000000, 0.0000698400000000, 0.0000107700000000 ] - [ 0.0000546000000000, 0.0000003200000000, -0.0003137300000000 ] - [ 0.0000308000000000, -0.0004441600000000, 0.0003041600000000 ] - [ -0.0000200900000000, -0.0000648000000000, -0.0001165700000000 ] - [ 0.0001429300000000, -0.0000813000000000, -0.0000536600000000 ] - [ -0.0000188700000000, 0.0000669300000000, 0.0004079200000000 ] - [ -0.0002769600000000, 0.0001487200000000, 0.0003273800000000 ] - [ -0.0000408900000000, 0.0000763300000000, 0.0002124200000000 ] - [ -0.0002080900000000, 0.0015846800000000, 0.0015298200000000 ] - [ -0.0000090800000000, -0.0000013700000000, 0.0002113700000000 ] - [ -0.0000629400000000, -0.0000914500000000, -0.0001255500000000 ] - [ 0.0016607800000000, -0.0002592500000000, 0.0015163500000000 ] - [ 0.0001846000000000, 0.0001548500000000, 0.0005339500000000 ] - [ -0.0000482100000000, -0.0002295100000000, 0.0002167300000000 ] - [ -0.0004220600000000, 0.0021290100000000, 0.0024285900000000 ] - [ 0.0000782900000000, 0.0000528500000000, -0.0000625500000000 ] - [ 0.0000559400000000, 0.0013751400000000, 0.0014388100000000 ] - [ 0.0064917700000000, -0.0026330100000000, 0.0089847500000000 ] - [ -0.0063666200000000, -0.0058335300000000, 0.0089681800000000 ] - [ 0.0011187000000000, 0.0006927000000000, 0.0007457500000000 ] - [ -0.0007593800000000, -0.0008121300000000, 0.0009027900000000 ] - [ -0.0024483100000000, 0.0011291200000000, 0.0016863600000000 ] - [ -0.0007950900000000, 0.0006015300000000, 0.0006449200000000 ] - [ 0.0003609300000000, -0.0008448200000000, 0.0004492100000000 ] - [ 0.0002698600000000, 0.0005232600000000, 0.0000712700000000 ] - [ 0.0012953100000000, -0.0011831400000000, 0.0010999500000000 ] - [ 0.0003478300000000, -0.0005455400000000, -0.0000105400000000 ] - [ -0.0023928300000000, 0.0003664200000000, -0.0028663100000000 ] - [ -0.0004123100000000, 0.0005261500000000, -0.0034183200000000 ] - [ 0.0001746400000000, -0.0007860200000000, -0.0001703500000000 ] - [ -0.0002662800000000, 0.0001638000000000, 0.0007747200000000 ] - [ 0.0012278500000000, 0.0010570900000000, -0.0036940600000000 ] - [ -0.0039949700000000, -0.0040302100000000, 0.0070123800000000 ] - [ -0.0008794700000000, -0.0006061300000000, 0.0007629900000000 ] - [ -0.0005715200000000, 0.0005539500000000, 0.0004797000000000 ] - [ 0.0003889600000000, 0.0018442500000000, 0.0030055600000000 ] - [ 0.0001937100000000, 0.0001053900000000, 0.0001463500000000 ] - [ -0.0007477000000000, 0.0017899300000000, 0.0003661500000000 ] - [ -0.0000939200000000, 0.0000858800000000, 0.0001794700000000 ] - [ -0.0004067600000000, 0.0007757300000000, -0.0001704400000000 ] - [ 0.0005638300000000, 0.0022604500000000, 0.0008025300000000 ] - [ -0.0010548900000000, -0.0012854100000000, -0.0008527900000000 ] - [ 0.0002842000000000, 0.0001402500000000, -0.0000044800000000 ] - [ -0.0001309600000000, 0.0000452100000000, 0.0004031000000000 ] - [ -0.0000877100000000, -0.0004786300000000, 0.0013852700000000 ] - [ 0.0015692200000000, -0.0005205300000000, 0.0016791500000000 ] - [ -0.0009769800000000, 0.0002415900000000, 0.0024176400000000 ] - [ -0.0000587100000000, -0.0000813400000000, -0.0001218400000000 ] - [ 0.0010683800000000, 0.0007909000000000, -0.0004704100000000 ] - [ -0.0013718000000000, -0.0002960400000000, -0.0002359200000000 ] - [ 0.0022367100000000, -0.0009729400000000, -0.0014516400000000 ] - [ -0.0000599500000000, 0.0001406600000000, 0.0000582400000000 ] - [ -0.0000288900000000, -0.0001834000000000, -0.0002654200000000 ] - [ 0.0007566200000000, -0.0000571800000000, -0.0001780300000000 ] - [ 0.0001056000000000, -0.0001111300000000, 0.0002804200000000 ] - [ 0.0001155300000000, 0.0000828300000000, -0.0000336400000000 ] - [ 0.0005627600000000, -0.0002926300000000, -0.0001717200000000 ] - [ 0.0004507600000000, 0.0000825700000000, -0.0003950900000000 ] - [ -0.0000286000000000, 0.0000518500000000, -0.0000399900000000 ] - [ -0.0000563100000000, -0.0003594900000000, -0.0000285600000000 ] - [ 0.0001079800000000, 0.0000852500000000, 0.0001072900000000 ] - [ -0.0001628300000000, 0.0001459200000000, -0.0000229300000000 ] - [ 0.0000788700000000, -0.0000125300000000, -0.0000004100000000 ] - [ 0.0000164200000000, 0.0000845100000000, 0.0001660300000000 ] - [ 0.0001888900000000, -0.0001098300000000, 0.0002186100000000 ] - [ 0.0000540500000000, 0.0001323800000000, 0.0001233600000000 ] - [ -0.0001356900000000, -0.0000142100000000, 0.0000050700000000 ] - [ -0.0005193200000000, 0.0002921700000000, -0.0015919600000000 ] - [ -0.0002335000000000, 0.0002711300000000, -0.0001670400000000 ] - [ -0.0005441600000000, 0.0009866800000000, 0.0000350000000000 ] - [ 0.0000927800000000, -0.0002480000000000, 0.0002153900000000 ] - [ -0.0000327100000000, -0.0000610600000000, -0.0002793900000000 ] - [ -0.0000799800000000, 0.0000592200000000, -0.0000819000000000 ] - [ 0.0003812900000000, 0.0000154400000000, -0.0002686500000000 ] - [ -0.0000328700000000, 0.0002585600000000, -0.0001098200000000 ] - [ 0.0002009600000000, 0.0000101500000000, -0.0003478600000000 ] - [ -0.0001619900000000, -0.0001293400000000, -0.0000264700000000 ] - [ 0.0000507200000000, -0.0001130300000000, 0.0001209400000000 ] - [ -0.0000368600000000, 0.0001877700000000, -0.0001051000000000 ] - [ -0.0001796900000000, 0.0002695300000000, -0.0003782700000000 ] - [ -0.0003201000000000, -0.0000285200000000, -0.0001410700000000 ] - [ 0.0000402100000000, -0.0003812800000000, -0.0003931800000000 ] - [ 0.0000034100000000, 0.0002274100000000, 0.0000062300000000 ] - [ -0.0001453300000000, -0.0001597500000000, -0.0003843800000000 ] - [ -0.0000067700000000, -0.0000510900000000, 0.0003456200000000 ] - [ 0.0001513100000000, -0.0001777800000000, -0.0004372900000000 ] - [ 0.0002941500000000, -0.0001452100000000, -0.0002397300000000 ] - [ 0.0002495700000000, 0.0002348600000000, 0.0003182400000000 ] - [ 0.0003266500000000, -0.0003304300000000, -0.0002877600000000 ] - [ 0.0000064200000000, 0.0000549400000000, -0.0000031200000000 ] - [ -0.0006434100000000, 0.0007604200000000, -0.0010264300000000 ] - [ 0.0007794200000000, -0.0004839800000000, -0.0010999700000000 ] - [ -0.0002785700000000, 0.0001313200000000, -0.0000511200000000 ] - [ 0.0022213400000000, 0.0006462800000000, 0.0004942100000000 ] - [ -0.0002852400000000, -0.0002514200000000, -0.0000318000000000 ] - [ 0.0004310900000000, 0.0005405900000000, -0.0015033900000000 ] - [ 0.0001887500000000, 0.0000729500000000, -0.0005257000000000 ] - [ 0.0001160000000000, -0.0001988000000000, 0.0000756200000000 ] - [ 0.0001279600000000, 0.0002228500000000, 0.0002015700000000 ] - [ -0.0003136500000000, 0.0002191800000000, -0.0000651800000000 ] - [ -0.0002543400000000, 0.0000617800000000, -0.0001551200000000 ] - [ 0.0000538600000000, -0.0003128400000000, -0.0001085600000000 ] - [ -0.0001969600000000, 0.0003394800000000, 0.0002418900000000 ] - [ -0.0001078000000000, 0.0000481000000000, -0.0000398000000000 ] - [ -0.0000588400000000, 0.0003079300000000, 0.0019962300000000 ] - [ -0.0005086100000000, 0.0000742100000000, 0.0005707300000000 ] - [ 0.0002391600000000, -0.0000104000000000, -0.0005882800000000 ] - [ -0.0001967500000000, -0.0000945000000000, 0.0002156000000000 ] - [ 0.0001416700000000, 0.0001886300000000, -0.0001598400000000 ] - [ -0.0004037000000000, -0.0002969800000000, 0.0010694300000000 ] - [ 0.0006568000000000, 0.0003213900000000, -0.0006998400000000 ] - [ -0.0001472800000000, -0.0001452100000000, -0.0000384100000000 ] - [ -0.0000474900000000, -0.0001577600000000, -0.0004750300000000 ] - [ 0.0025687600000000, 0.0016768500000000, 0.0040541100000000 ] - [ -0.0004049800000000, -0.0003881900000000, -0.0025127800000000 ] - [ 0.0004458800000000, 0.0004448200000000, 0.0002380400000000 ] - [ 0.0000111400000000, -0.0005610700000000, 0.0004675100000000 ] - [ -0.0000562300000000, 0.0002412400000000, -0.0006095700000000 ] - [ 0.0002991700000000, 0.0001203400000000, -0.0001704300000000 ] - [ 0.0004237200000000, 0.0008361700000000, -0.0007036000000000 ] - [ 0.0002337900000000, -0.0013792300000000, -0.0032763400000000 ] - [ 0.0000261900000000, -0.0004307500000000, -0.0000291600000000 ] - [ 0.0002249100000000, 0.0000761700000000, 0.0000214900000000 ] - [ -0.0002868500000000, 0.0009990200000000, -0.0013365700000000 ] - [ -0.0001024900000000, 0.0001220900000000, -0.0004316600000000 ] - [ 0.0001140500000000, -0.0001586300000000, -0.0002318400000000 ] - [ -0.0000043200000000, -0.0002648900000000, 0.0000630600000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002917100000000, -0.0000530100000000, 0.0011008100000000 ] - [ 0.0013724500000000, 0.0011376700000000, 0.0246696600000000 ] - [ -0.0000090500000000, 0.0000856100000000, -0.0000151200000000 ] - [ -0.0000854400000000, -0.0003230000000000, 0.0012882600000000 ] - [ 0.0000469600000000, 0.0002283300000000, 0.0010129100000000 ] - [ 0.0000176600000000, 0.0000356600000000, 0.0002472200000000 ] - [ 0.0000672400000000, -0.0000022100000000, -0.0000154500000000 ] - [ -0.0001041000000000, 0.0003616800000000, -0.0000718700000000 ] - [ -0.0000413900000000, -0.0000443800000000, -0.0002138600000000 ] - [ -0.0002034800000000, 0.0001891900000000, -0.0002768600000000 ] - [ 0.0000185100000000, -0.0000669300000000, 0.0001782300000000 ] - [ 0.0003812100000000, -0.0001708500000000, -0.0000955400000000 ] - [ 0.0000067000000000, 0.0000280500000000, 0.0000221900000000 ] - [ 0.0003307200000000, -0.0015699800000000, -0.0018567300000000 ] - [ -0.0000625000000000, -0.0000776700000000, 0.0000273100000000 ] - [ 0.0000018600000000, -0.0000152500000000, -0.0002228700000000 ] - [ -0.0017360600000000, 0.0003702800000000, -0.0018701600000000 ] - [ -0.0001851700000000, -0.0001564400000000, 0.0000737100000000 ] - [ 0.0001529600000000, 0.0002081200000000, 0.0000218500000000 ] - [ 0.0003931600000000, -0.0020490800000000, -0.0021983000000000 ] - [ 0.0000459000000000, -0.0000530700000000, -0.0002856600000000 ] - [ -0.0013176800000000, -0.0008673800000000, -0.0009241400000000 ] - [ -0.0062277400000000, 0.0012627600000000, -0.0084505900000000 ] - [ 0.0071818900000000, 0.0068623500000000, -0.0079054200000000 ] - [ -0.0000496000000000, 0.0001581100000000, -0.0002273700000000 ] - [ 0.0012321900000000, -0.0003297400000000, 0.0001792200000000 ] - [ 0.0012455600000000, -0.0009688200000000, -0.0006007900000000 ] - [ -0.0004793800000000, -0.0001155700000000, -0.0000762200000000 ] - [ -0.0001515400000000, -0.0005005100000000, 0.0001220600000000 ] - [ 0.0004888800000000, 0.0004461900000000, 0.0009594800000000 ] - [ -0.0002428800000000, 0.0020530200000000, -0.0005260700000000 ] - [ 0.0001176500000000, -0.0006031300000000, 0.0010418900000000 ] - [ 0.0012085300000000, -0.0002259600000000, 0.0038986400000000 ] - [ -0.0008193800000000, -0.0000201400000000, 0.0039846100000000 ] - [ 0.0000268700000000, -0.0005551700000000, 0.0007438200000000 ] - [ 0.0010127800000000, 0.0007967400000000, 0.0002917400000000 ] - [ -0.0001523600000000, -0.0001670700000000, 0.0042572200000000 ] - [ 0.0044237300000000, 0.0028659400000000, -0.0059316500000000 ] - [ -0.0003266900000000, 0.0007685700000000, 0.0003041800000000 ] - [ 0.0006101400000000, -0.0006075800000000, -0.0007923400000000 ] - [ -0.0005982800000000, -0.0020678900000000, -0.0029968300000000 ] - [ 0.0000253800000000, 0.0000752000000000, -0.0001622500000000 ] - [ 0.0001575100000000, -0.0013692400000000, -0.0001515300000000 ] - [ -0.0000671500000000, -0.0001738200000000, -0.0000681900000000 ] - [ 0.0004088500000000, -0.0013481800000000, 0.0000807300000000 ] - [ -0.0008321700000000, -0.0021472600000000, -0.0007990600000000 ] - [ 0.0009447800000000, 0.0014332300000000, 0.0007185000000000 ] - [ 0.0003880800000000, 0.0001550700000000, -0.0000600800000000 ] - [ 0.0000939300000000, 0.0003193800000000, -0.0000956400000000 ] - [ 0.0005535000000000, 0.0004776600000000, -0.0023449700000000 ] - [ -0.0017766000000000, 0.0002746000000000, -0.0013132600000000 ] - [ 0.0011278600000000, -0.0003686500000000, -0.0023001700000000 ] - [ 0.0002438600000000, 0.0000978600000000, -0.0000096500000000 ] - [ -0.0014310200000000, -0.0003435700000000, -0.0003668000000000 ] - [ 0.0012843200000000, 0.0001273400000000, 0.0001060300000000 ] - [ -0.0024620800000000, 0.0004399200000000, 0.0006172400000000 ] - [ -0.0000953000000000, 0.0001473700000000, -0.0000436700000000 ] - [ -0.0002205400000000, -0.0001743300000000, -0.0006473600000000 ] - [ -0.0007614100000000, 0.0000571200000000, 0.0008379600000000 ] - [ 0.0002320400000000, -0.0000356200000000, 0.0000230200000000 ] - [ -0.0003025600000000, 0.0003117300000000, -0.0008819900000000 ] - [ -0.0000746200000000, 0.0005793800000000, 0.0000856100000000 ] - [ 0.0001162600000000, 0.0000088900000000, -0.0004399700000000 ] - [ -0.0000333900000000, -0.0000605800000000, -0.0002645600000000 ] - [ -0.0000246400000000, -0.0003749300000000, -0.0000340400000000 ] - [ 0.0002185800000000, -0.0000903200000000, -0.0000896900000000 ] - [ -0.0003290100000000, 0.0001381900000000, -0.0000639700000000 ] - [ -0.0000496600000000, 0.0000714000000000, -0.0003031900000000 ] - [ -0.0000167700000000, 0.0000965400000000, -0.0000561300000000 ] - [ -0.0001440600000000, -0.0001712100000000, -0.0002326800000000 ] - [ 0.0000364700000000, -0.0001120700000000, -0.0004453600000000 ] - [ -0.0000559300000000, -0.0002400100000000, 0.0001777100000000 ] - [ 0.0007819400000000, -0.0001669200000000, 0.0016777300000000 ] - [ -0.0003550900000000, 0.0001675200000000, -0.0000099700000000 ] - [ 0.0004083200000000, -0.0010256600000000, 0.0001767600000000 ] - [ -0.0000900500000000, -0.0003249700000000, -0.0004665100000000 ] - [ -0.0002108800000000, 0.0002374200000000, 0.0003701100000000 ] - [ -0.0000224800000000, 0.0000828500000000, -0.0000196100000000 ] - [ 0.0002929500000000, 0.0002751700000000, 0.0000902500000000 ] - [ 0.0000174900000000, 0.0001631900000000, 0.0004742900000000 ] - [ 0.0002078200000000, -0.0000814500000000, -0.0005365400000000 ] - [ -0.0001956200000000, -0.0001006800000000, 0.0003911400000000 ] - [ 0.0000511800000000, 0.0000180700000000, 0.0000864600000000 ] - [ 0.0002156500000000, -0.0001683600000000, 0.0000051100000000 ] - [ -0.0001632700000000, 0.0001685400000000, -0.0005178200000000 ] - [ 0.0002527200000000, -0.0001339200000000, 0.0000403300000000 ] - [ -0.0002530500000000, -0.0001293400000000, -0.0005035400000000 ] - [ -0.0001320100000000, 0.0000621200000000, 0.0001743500000000 ] - [ -0.0001238800000000, -0.0001564000000000, -0.0004973400000000 ] - [ 0.0000051300000000, 0.0000545800000000, 0.0000594900000000 ] - [ 0.0002250800000000, -0.0000187600000000, 0.0008008300000000 ] - [ -0.0004350500000000, 0.0005344000000000, -0.0006386100000000 ] - [ 0.0002378900000000, 0.0000482200000000, -0.0005671500000000 ] - [ 0.0002229100000000, 0.0004187900000000, -0.0006082800000000 ] - [ -0.0000307100000000, -0.0001510000000000, -0.0003226900000000 ] - [ 0.0005573500000000, -0.0015003900000000, 0.0008509600000000 ] - [ -0.0004582300000000, 0.0004538900000000, 0.0012803600000000 ] - [ -0.0002124500000000, 0.0001548600000000, -0.0002020900000000 ] - [ -0.0022797400000000, -0.0005793800000000, -0.0007974600000000 ] - [ 0.0003123900000000, 0.0003829000000000, 0.0002409300000000 ] - [ -0.0004617700000000, -0.0008378900000000, 0.0015952800000000 ] - [ -0.0001228100000000, -0.0000839200000000, 0.0004300600000000 ] - [ -0.0003570800000000, -0.0000053600000000, -0.0000560300000000 ] - [ 0.0001317600000000, -0.0000959100000000, -0.0003458300000000 ] - [ -0.0002796500000000, 0.0002149300000000, -0.0001893700000000 ] - [ 0.0001316500000000, -0.0001008500000000, 0.0001555000000000 ] - [ -0.0000557400000000, -0.0002589200000000, 0.0000729700000000 ] - [ -0.0000447200000000, -0.0001704800000000, -0.0003841600000000 ] - [ 0.0000011800000000, 0.0000920100000000, -0.0002184500000000 ] - [ 0.0007084600000000, -0.0000060500000000, -0.0022547600000000 ] - [ 0.0004945200000000, 0.0003487100000000, -0.0003016800000000 ] - [ 0.0001792600000000, -0.0000350900000000, -0.0001021300000000 ] - [ -0.0001631300000000, -0.0001358500000000, 0.0000596600000000 ] - [ -0.0000491200000000, -0.0002805200000000, 0.0001604200000000 ] - [ 0.0005716900000000, 0.0003092600000000, -0.0013274700000000 ] - [ -0.0009560500000000, 0.0001116900000000, -0.0000837000000000 ] - [ 0.0000728000000000, -0.0000212400000000, -0.0002185800000000 ] - [ -0.0001740800000000, -0.0003218900000000, -0.0003104100000000 ] - [ -0.0026270000000000, -0.0012984300000000, -0.0045238900000000 ] - [ 0.0001567100000000, 0.0000544700000000, 0.0018269900000000 ] - [ -0.0004437200000000, -0.0004420400000000, 0.0002500600000000 ] - [ 0.0003657500000000, 0.0003654300000000, -0.0002006200000000 ] - [ -0.0001110900000000, 0.0001435200000000, -0.0000807200000000 ] - [ 0.0001939200000000, 0.0001603300000000, 0.0001365200000000 ] - [ 0.0001038500000000, -0.0007758400000000, -0.0000802900000000 ] - [ -0.0002769400000000, 0.0013194600000000, 0.0031797200000000 ] - [ -0.0001058000000000, -0.0003073300000000, -0.0002251400000000 ] - [ 0.0000710200000000, -0.0001711200000000, -0.0000001400000000 ] - [ -0.0002062400000000, -0.0007064000000000, 0.0012990900000000 ] - [ 0.0000776300000000, -0.0000578800000000, 0.0003354300000000 ] - [ -0.0000878700000000, 0.0002852200000000, 0.0002319400000000 ] - [ -0.0000173200000000, -0.0000258100000000, -0.0002054700000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000065404, 0.0000000000000000 ] forces: - [ 0.0009521000000000, -0.0020825600000000, -0.0000662700000000 ] - [ 0.0027031600000000, 0.0008580700000000, -0.0000831500000000 ] - [ -0.0007985400000000, 0.0010954600000000, 0.0000741500000000 ] - [ -0.0253699500000000, 0.0000276200000000, 0.0002799800000000 ] - [ -0.0007403200000000, 0.0009837000000000, 0.0004063500000000 ] - [ 0.0027245900000000, 0.0010782800000000, 0.0000453400000000 ] - [ 0.0009360400000000, -0.0020684600000000, -0.0004853600000000 ] - [ 0.0000054700000000, 0.0003128900000000, 0.0000736300000000 ] - [ 0.0000271200000000, 0.0004977400000000, 0.0000206600000000 ] - [ -0.0004322800000000, -0.0001665400000000, -0.0001224000000000 ] - [ 0.0002157700000000, 0.0000088800000000, 0.0002939500000000 ] - [ 0.0006821200000000, -0.0000043100000000, 0.0001800400000000 ] - [ 0.0000195500000000, -0.0002767400000000, 0.0000987700000000 ] - [ 0.0005621400000000, -0.0002324200000000, -0.0003914700000000 ] - [ 0.0004469700000000, -0.0002726600000000, -0.0000799000000000 ] - [ 0.0000077300000000, -0.0003808800000000, -0.0001930900000000 ] - [ 0.0005876800000000, 0.0000624600000000, -0.0001074500000000 ] - [ 0.0002160600000000, -0.0000089800000000, 0.0003025100000000 ] - [ -0.0003098900000000, -0.0002117700000000, 0.0001496200000000 ] - [ 0.0000722000000000, 0.0005661600000000, 0.0002864600000000 ] - [ 0.0000981200000000, 0.0003417700000000, -0.0002233900000000 ] - [ -0.0052641600000000, -0.0011582000000000, -0.0019306000000000 ] - [ -0.0016146600000000, 0.0023879300000000, -0.0063411200000000 ] - [ -0.0000504300000000, -0.0009764100000000, 0.0088470100000000 ] - [ 0.0012128400000000, -0.0012686100000000, 0.0090572400000000 ] - [ -0.0024069100000000, 0.0021865800000000, -0.0056688300000000 ] - [ -0.0058044400000000, -0.0011647200000000, -0.0015572800000000 ] - [ -0.0008131500000000, 0.0004304600000000, 0.0002154900000000 ] - [ 0.0019416500000000, 0.0000803500000000, -0.0000312600000000 ] - [ 0.0012676700000000, 0.0019461900000000, 0.0005255300000000 ] - [ 0.0018561800000000, -0.0008449500000000, 0.0006610800000000 ] - [ 0.0005144100000000, -0.0016689000000000, 0.0004290500000000 ] - [ 0.0021915900000000, -0.0002585700000000, 0.0005914800000000 ] - [ 0.0022396600000000, -0.0000467700000000, 0.0003353700000000 ] - [ 0.0003707600000000, -0.0018328300000000, 0.0001991400000000 ] - [ 0.0017744900000000, -0.0008236900000000, 0.0008867600000000 ] - [ 0.0013556000000000, 0.0019470200000000, 0.0003255500000000 ] - [ 0.0021431100000000, 0.0000973900000000, 0.0002656500000000 ] - [ -0.0006540300000000, 0.0002031800000000, 0.0004554800000000 ] - [ -0.0004493900000000, 0.0001189400000000, -0.0000778500000000 ] - [ -0.0016053200000000, 0.0004180400000000, -0.0000662800000000 ] - [ 0.0001289200000000, 0.0002057700000000, -0.0000219100000000 ] - [ -0.0012557300000000, -0.0001971000000000, 0.0005858600000000 ] - [ 0.0001335700000000, 0.0005165200000000, 0.0000802400000000 ] - [ -0.0005764700000000, 0.0007539600000000, -0.0005824400000000 ] - [ -0.0004059700000000, -0.0002511300000000, -0.0000623800000000 ] - [ 0.0006969400000000, 0.0009494200000000, 0.0016951000000000 ] - [ 0.0008941700000000, 0.0002779100000000, -0.0001280800000000 ] - [ 0.0020825700000000, -0.0004870800000000, 0.0006526600000000 ] - [ 0.0040480100000000, -0.0005981500000000, -0.0030800800000000 ] - [ 0.0034282000000000, 0.0013769100000000, 0.0019248200000000 ] - [ -0.0004926400000000, -0.0010361100000000, 0.0000806800000000 ] - [ 0.0021795500000000, -0.0016393500000000, -0.0013765000000000 ] - [ 0.0029419100000000, 0.0009365400000000, -0.0009556400000000 ] - [ 0.0035605600000000, 0.0006769800000000, -0.0005111500000000 ] - [ 0.0016499900000000, -0.0017592100000000, -0.0019640500000000 ] - [ -0.0006744500000000, -0.0007944200000000, 0.0000456500000000 ] - [ 0.0030670900000000, 0.0009985200000000, 0.0014613500000000 ] - [ 0.0017574600000000, 0.0000056500000000, 0.0003295300000000 ] - [ 0.0051524400000000, -0.0010278100000000, -0.0019840100000000 ] - [ 0.0019483500000000, -0.0002879500000000, 0.0001232600000000 ] - [ 0.0007720100000000, 0.0001736600000000, -0.0001243600000000 ] - [ 0.0008240800000000, 0.0008371300000000, 0.0016653600000000 ] - [ -0.0002831200000000, -0.0003181700000000, -0.0002213800000000 ] - [ -0.0007111700000000, 0.0008016900000000, -0.0005557100000000 ] - [ 0.0004000300000000, 0.0006029900000000, 0.0000436100000000 ] - [ -0.0011384900000000, -0.0002799100000000, 0.0005797000000000 ] - [ 0.0000544800000000, 0.0001305900000000, -0.0001533100000000 ] - [ -0.0015199900000000, 0.0005567700000000, 0.0000064600000000 ] - [ -0.0004646900000000, 0.0000189200000000, 0.0000555200000000 ] - [ -0.0000224300000000, -0.0001969900000000, -0.0000559800000000 ] - [ 0.0000395200000000, -0.0003547100000000, 0.0001451900000000 ] - [ 0.0012454400000000, -0.0002288300000000, 0.0010181500000000 ] - [ -0.0007364100000000, -0.0001456400000000, 0.0000362800000000 ] - [ 0.0004375800000000, -0.0010721400000000, 0.0003126200000000 ] - [ 0.0000824500000000, -0.0007439100000000, -0.0001670700000000 ] - [ -0.0001423400000000, -0.0002617800000000, -0.0003371200000000 ] - [ -0.0002249400000000, -0.0003097100000000, -0.0000264400000000 ] - [ 0.0005748300000000, 0.0004401600000000, -0.0000473300000000 ] - [ 0.0000457400000000, 0.0001731900000000, 0.0002324100000000 ] - [ 0.0000943100000000, -0.0002399800000000, -0.0005212200000000 ] - [ -0.0004105700000000, -0.0002274800000000, 0.0001981900000000 ] - [ -0.0007700400000000, -0.0005322700000000, -0.0005300700000000 ] - [ -0.0001693200000000, 0.0003014800000000, -0.0000682400000000 ] - [ -0.0002905400000000, 0.0000819100000000, -0.0004726600000000 ] - [ -0.0008326100000000, -0.0001984800000000, -0.0000555500000000 ] - [ -0.0006935700000000, -0.0003134000000000, -0.0003966100000000 ] - [ -0.0000089700000000, 0.0004685000000000, 0.0000076300000000 ] - [ -0.0001729000000000, -0.0000261100000000, -0.0004456100000000 ] - [ -0.0002706100000000, 0.0000691800000000, 0.0002035600000000 ] - [ 0.0000328100000000, 0.0000748200000000, 0.0001162600000000 ] - [ -0.0004357200000000, 0.0002212500000000, -0.0003627000000000 ] - [ -0.0004801500000000, 0.0000016500000000, -0.0000459200000000 ] - [ -0.0000089800000000, 0.0003507300000000, -0.0004758000000000 ] - [ -0.0001619000000000, 0.0003083400000000, 0.0000509500000000 ] - [ -0.0007206800000000, 0.0001904600000000, -0.0002547400000000 ] - [ -0.0002242200000000, -0.0000371700000000, 0.0001190900000000 ] - [ -0.0002902800000000, 0.0005423400000000, -0.0001675200000000 ] - [ -0.0006309200000000, 0.0000387400000000, -0.0004863200000000 ] - [ 0.0003402500000000, 0.0004471600000000, 0.0005247800000000 ] - [ 0.0004791100000000, 0.0005156200000000, -0.0005473700000000 ] - [ 0.0006665200000000, 0.0006362400000000, -0.0008244900000000 ] - [ 0.0002008600000000, 0.0002328500000000, 0.0003979500000000 ] - [ -0.0004611300000000, 0.0000221400000000, -0.0003754200000000 ] - [ -0.0003683700000000, 0.0006150900000000, -0.0001683000000000 ] - [ -0.0004320600000000, -0.0000099000000000, 0.0000235300000000 ] - [ -0.0008713200000000, 0.0003365700000000, -0.0002650100000000 ] - [ -0.0002869400000000, 0.0004305000000000, 0.0001431600000000 ] - [ -0.0002385000000000, 0.0003713400000000, -0.0001292000000000 ] - [ -0.0004296400000000, -0.0000334500000000, -0.0000353100000000 ] - [ -0.0003720300000000, 0.0002411400000000, 0.0002380600000000 ] - [ 0.0000527300000000, 0.0001563700000000, -0.0003913800000000 ] - [ -0.0002240800000000, 0.0000132400000000, 0.0001233200000000 ] - [ 0.0001195100000000, 0.0002798600000000, -0.0000781900000000 ] - [ -0.0004354500000000, 0.0001202300000000, -0.0001098400000000 ] - [ -0.0008910000000000, 0.0001659800000000, -0.0003800600000000 ] - [ -0.0002263400000000, -0.0001706100000000, -0.0001464800000000 ] - [ -0.0003215000000000, 0.0000772300000000, -0.0004133400000000 ] - [ -0.0007850600000000, -0.0002647700000000, -0.0006123300000000 ] - [ -0.0003692800000000, -0.0002655400000000, -0.0003507000000000 ] - [ -0.0003681400000000, -0.0000224000000000, 0.0002431100000000 ] - [ 0.0000697100000000, -0.0002962900000000, 0.0000538700000000 ] - [ -0.0000441500000000, 0.0001584000000000, -0.0002928300000000 ] - [ 0.0004386600000000, 0.0004759400000000, 0.0000442900000000 ] - [ 0.0001067900000000, -0.0002964200000000, -0.0003836200000000 ] - [ -0.0001103600000000, -0.0002710900000000, -0.0001879400000000 ] - [ 0.0000423900000000, -0.0008602800000000, -0.0001769600000000 ] - [ 0.0005827500000000, -0.0010147200000000, 0.0002478200000000 ] - [ -0.0008358600000000, -0.0002980100000000, 0.0001678900000000 ] - [ 0.0010246900000000, -0.0003923300000000, 0.0008682200000000 ] - [ 0.0001400400000000, -0.0001551400000000, 0.0000561600000000 ] - [ -0.0000563300000000, -0.0003627700000000, 0.0000237700000000 ]- atom: 4 displacement: [ -0.0100000000000000, -0.0000000000065404, 0.0000000000000000 ] forces: - [ -0.0010271100000000, 0.0020144300000000, 0.0003242000000000 ] - [ -0.0027868500000000, -0.0009719500000000, -0.0002468800000000 ] - [ 0.0007350700000000, -0.0009963500000000, -0.0004013600000000 ] - [ 0.0253326100000000, 0.0000286100000000, 0.0002843300000000 ] - [ 0.0008546800000000, -0.0010021100000000, -0.0001508400000000 ] - [ -0.0027359300000000, -0.0009617600000000, 0.0002121300000000 ] - [ -0.0008153000000000, 0.0020534900000000, 0.0001538500000000 ] - [ -0.0000783200000000, -0.0003929100000000, 0.0001607100000000 ] - [ -0.0000908300000000, -0.0006058700000000, -0.0003492300000000 ] - [ 0.0003697700000000, 0.0002760900000000, -0.0002071200000000 ] - [ -0.0002157500000000, -0.0000077400000000, 0.0002943600000000 ] - [ -0.0005758800000000, -0.0000186700000000, 0.0000548600000000 ] - [ -0.0000529100000000, 0.0003797900000000, 0.0001368900000000 ] - [ -0.0004348700000000, 0.0002341300000000, 0.0000630800000000 ] - [ -0.0005191700000000, 0.0001925100000000, 0.0003159200000000 ] - [ -0.0000696100000000, 0.0002745100000000, -0.0001557300000000 ] - [ -0.0006474600000000, 0.0000439200000000, -0.0002420200000000 ] - [ -0.0002154400000000, 0.0000076100000000, 0.0003029300000000 ] - [ 0.0004153700000000, 0.0001887000000000, 0.0000881800000000 ] - [ -0.0001046500000000, -0.0004660800000000, -0.0000478700000000 ] - [ 0.0000255600000000, -0.0003420800000000, -0.0001261700000000 ] - [ 0.0040089700000000, 0.0016440800000000, 0.0024103300000000 ] - [ 0.0018366100000000, -0.0037370200000000, 0.0068664600000000 ] - [ 0.0008253200000000, 0.0019516700000000, -0.0078000100000000 ] - [ -0.0001635900000000, 0.0021136600000000, -0.0084940000000000 ] - [ 0.0028550200000000, -0.0033270600000000, 0.0067464200000000 ] - [ 0.0045771700000000, 0.0013371000000000, 0.0026733700000000 ] - [ -0.0004610700000000, 0.0000651700000000, 0.0003481500000000 ] - [ -0.0017333700000000, -0.0014226600000000, 0.0005931800000000 ] - [ -0.0005096700000000, -0.0009713200000000, 0.0005043500000000 ] - [ -0.0007982100000000, 0.0017101800000000, -0.0000982800000000 ] - [ -0.0000480200000000, 0.0005294800000000, 0.0006008300000000 ] - [ -0.0034064100000000, 0.0004307500000000, 0.0004401500000000 ] - [ -0.0035017500000000, 0.0005392400000000, 0.0002362600000000 ] - [ -0.0001699600000000, 0.0004840900000000, 0.0003740300000000 ] - [ -0.0010262100000000, 0.0017810700000000, 0.0001860200000000 ] - [ -0.0002944900000000, -0.0011036600000000, 0.0002472500000000 ] - [ -0.0016770900000000, -0.0012340300000000, 0.0008059600000000 ] - [ -0.0005533500000000, -0.0000466800000000, 0.0006148700000000 ] - [ 0.0004841300000000, -0.0001750400000000, -0.0002236800000000 ] - [ 0.0014307600000000, -0.0006957900000000, 0.0000814800000000 ] - [ 0.0000888200000000, -0.0000232600000000, 0.0000035400000000 ] - [ 0.0006605800000000, 0.0006332400000000, -0.0006532500000000 ] - [ -0.0002972900000000, -0.0006017700000000, 0.0000315700000000 ] - [ 0.0005769500000000, -0.0013235600000000, 0.0004977000000000 ] - [ 0.0001378400000000, 0.0003566600000000, 0.0000449300000000 ] - [ -0.0008118100000000, -0.0008006100000000, -0.0018281200000000 ] - [ -0.0002180400000000, 0.0000230600000000, 0.0000644700000000 ] - [ -0.0021175600000000, 0.0008634700000000, -0.0003269100000000 ] - [ -0.0038956000000000, 0.0006546900000000, 0.0020211000000000 ] - [ -0.0038690100000000, -0.0017474700000000, -0.0015240500000000 ] - [ 0.0006476200000000, 0.0009424400000000, 0.0000303500000000 ] - [ -0.0019772300000000, 0.0016493900000000, 0.0012489500000000 ] - [ -0.0033081600000000, -0.0004860200000000, 0.0001132900000000 ] - [ -0.0036354700000000, -0.0008472800000000, 0.0003872900000000 ] - [ -0.0018735900000000, 0.0012284300000000, 0.0011272800000000 ] - [ 0.0005204000000000, 0.0010792900000000, -0.0000315400000000 ] - [ -0.0031988200000000, -0.0012356800000000, -0.0024625200000000 ] - [ -0.0017587400000000, -0.0000040500000000, 0.0003289400000000 ] - [ -0.0044728400000000, 0.0007691300000000, 0.0024435200000000 ] - [ -0.0021367000000000, 0.0006712200000000, -0.0010548400000000 ] - [ -0.0002855400000000, 0.0001062100000000, 0.0000383600000000 ] - [ -0.0002435500000000, -0.0007412900000000, -0.0024950700000000 ] - [ 0.0002213600000000, 0.0003088100000000, -0.0000812300000000 ] - [ 0.0006303000000000, -0.0015342500000000, 0.0004903200000000 ] - [ -0.0000721000000000, -0.0006104000000000, -0.0000265300000000 ] - [ 0.0006499500000000, 0.0005621900000000, -0.0006628200000000 ] - [ -0.0000241400000000, -0.0000734100000000, -0.0001478000000000 ] - [ 0.0015172200000000, -0.0003730600000000, 0.0001054900000000 ] - [ 0.0005115000000000, -0.0002969100000000, -0.0000764700000000 ] - [ 0.0001157600000000, 0.0002201800000000, -0.0002722700000000 ] - [ -0.0002304000000000, 0.0001004300000000, 0.0000374600000000 ] - [ -0.0009815900000000, 0.0003518600000000, -0.0009313600000000 ] - [ 0.0001514500000000, 0.0005844000000000, -0.0002130800000000 ] - [ -0.0005717800000000, 0.0010281200000000, -0.0001048500000000 ] - [ -0.0000827000000000, 0.0001740200000000, -0.0000870300000000 ] - [ -0.0000983900000000, 0.0004361600000000, 0.0004254600000000 ] - [ 0.0001219200000000, 0.0004490800000000, -0.0000743700000000 ] - [ 0.0000996200000000, -0.0001543400000000, -0.0001317100000000 ] - [ -0.0000610000000000, 0.0002473800000000, 0.0001320900000000 ] - [ 0.0003146800000000, 0.0001679000000000, -0.0003656000000000 ] - [ 0.0000530400000000, -0.0000029300000000, 0.0001669300000000 ] - [ 0.0008726700000000, 0.0004384800000000, 0.0007312000000000 ] - [ 0.0003484500000000, -0.0002829900000000, -0.0000311800000000 ] - [ -0.0000534000000000, 0.0003550200000000, -0.0004237300000000 ] - [ 0.0007633000000000, 0.0000361600000000, -0.0000437300000000 ] - [ 0.0004839600000000, -0.0002022200000000, -0.0005009500000000 ] - [ -0.0001185000000000, -0.0001782200000000, 0.0001723300000000 ] - [ -0.0000964600000000, -0.0002910600000000, -0.0004378700000000 ] - [ 0.0002692900000000, -0.0000697100000000, 0.0002029100000000 ] - [ 0.0003424700000000, -0.0002698300000000, 0.0002486000000000 ] - [ 0.0002953900000000, 0.0001677800000000, -0.0005250300000000 ] - [ 0.0009689000000000, 0.0002815300000000, -0.0002066100000000 ] - [ 0.0005580000000000, -0.0002713700000000, -0.0004206400000000 ] - [ 0.0001372600000000, -0.0004039100000000, -0.0003779200000000 ] - [ 0.0006324000000000, -0.0009230100000000, 0.0000785900000000 ] - [ 0.0005399800000000, 0.0000074600000000, 0.0000626800000000 ] - [ -0.0002012700000000, -0.0002571000000000, -0.0000864700000000 ] - [ 0.0005659200000000, 0.0000317900000000, 0.0001587600000000 ] - [ -0.0003208900000000, -0.0003133700000000, -0.0003188900000000 ] - [ -0.0005112900000000, -0.0008113800000000, 0.0006404800000000 ] - [ -0.0005947100000000, -0.0006450200000000, 0.0007235000000000 ] - [ -0.0004335100000000, -0.0004383400000000, -0.0003765700000000 ] - [ 0.0007243900000000, 0.0001024500000000, 0.0002383700000000 ] - [ -0.0002244000000000, -0.0001807200000000, -0.0000855900000000 ] - [ 0.0003074100000000, -0.0000277100000000, -0.0000222600000000 ] - [ 0.0008690200000000, -0.0009072800000000, 0.0002284800000000 ] - [ 0.0000451100000000, -0.0002618300000000, -0.0002832300000000 ] - [ 0.0001349700000000, -0.0002249000000000, -0.0001284600000000 ] - [ 0.0011043500000000, 0.0003294200000000, -0.0002196700000000 ] - [ 0.0003568700000000, 0.0001829300000000, 0.0000400600000000 ] - [ 0.0003656900000000, -0.0002015400000000, -0.0002992000000000 ] - [ -0.0001356100000000, -0.0002431600000000, 0.0001536500000000 ] - [ -0.0000278800000000, -0.0003719200000000, 0.0000793500000000 ] - [ 0.0006140100000000, -0.0000960500000000, -0.0001461800000000 ] - [ 0.0005855600000000, 0.0002667800000000, -0.0004041200000000 ] - [ 0.0001563900000000, 0.0000079800000000, -0.0001099700000000 ] - [ 0.0000987800000000, -0.0005554900000000, -0.0003722100000000 ] - [ 0.0007202400000000, 0.0005690200000000, 0.0006369500000000 ] - [ 0.0001173800000000, -0.0000705800000000, -0.0003377200000000 ] - [ 0.0003681000000000, 0.0000246800000000, 0.0002424700000000 ] - [ 0.0003078900000000, 0.0001009000000000, 0.0002221200000000 ] - [ -0.0001230900000000, 0.0002269000000000, -0.0003970600000000 ] - [ 0.0000544800000000, -0.0001898700000000, -0.0000772500000000 ] - [ 0.0004199300000000, 0.0003525400000000, -0.0004008900000000 ] - [ 0.0000681700000000, 0.0002132900000000, 0.0000931100000000 ] - [ -0.0001222700000000, 0.0001260300000000, -0.0000759300000000 ] - [ -0.0002854200000000, 0.0009210100000000, -0.0002264700000000 ] - [ 0.0003422300000000, 0.0005869100000000, -0.0002037000000000 ] - [ -0.0010456500000000, 0.0004571600000000, -0.0009607100000000 ] - [ -0.0001123900000000, 0.0002786900000000, -0.0000554600000000 ] - [ 0.0000330900000000, 0.0000707800000000, -0.0001629300000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001688500000000, -0.0002325500000000, -0.0008502500000000 ] - [ 0.0000472400000000, 0.0002130100000000, -0.0011541400000000 ] - [ 0.0001608500000000, -0.0001474200000000, -0.0011541400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0160579400000000 ] - [ 0.0002858200000000, -0.0000299500000000, -0.0008502500000000 ] - [ -0.0001169700000000, 0.0002625000000000, -0.0008502500000000 ] - [ -0.0002080900000000, -0.0000655900000000, -0.0011541400000000 ] - [ -0.0000592800000000, -0.0002082500000000, 0.0002098400000000 ] - [ 0.0002933000000000, 0.0002484500000000, 0.0000642000000000 ] - [ 0.0000685100000000, -0.0003782300000000, 0.0000642000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003535100000000 ] - [ 0.0002099900000000, 0.0000527800000000, 0.0002098400000000 ] - [ -0.0001507100000000, 0.0001554700000000, 0.0002098400000000 ] - [ -0.0003618200000000, 0.0001297800000000, 0.0000642000000000 ] - [ -0.0004681900000000, 0.0000985400000000, 0.0004116300000000 ] - [ -0.0001630600000000, 0.0000506700000000, -0.0000595800000000 ] - [ 0.0001254100000000, 0.0001158800000000, -0.0000595800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003626500000000 ] - [ 0.0001487600000000, -0.0004547400000000, 0.0004116300000000 ] - [ 0.0003194300000000, 0.0003562000000000, 0.0004116300000000 ] - [ 0.0000376500000000, -0.0001665500000000, -0.0000595800000000 ] - [ -0.0021216900000000, 0.0062952200000000, 0.0069417000000000 ] - [ -0.0043909700000000, -0.0049850500000000, 0.0069417000000000 ] - [ 0.0055444300000000, -0.0009341400000000, 0.0080671000000000 ] - [ 0.0065126600000000, -0.0013101700000000, 0.0069417000000000 ] - [ -0.0035812000000000, -0.0043345500000000, 0.0080671000000000 ] - [ -0.0019632300000000, 0.0052686900000000, 0.0080671000000000 ] - [ -0.0004585200000000, 0.0009320900000000, 0.0007395400000000 ] - [ -0.0005779500000000, -0.0008631300000000, 0.0007395400000000 ] - [ 0.0004374700000000, 0.0004320900000000, -0.0000327300000000 ] - [ 0.0010364700000000, -0.0000689500000000, 0.0007395400000000 ] - [ 0.0001554700000000, -0.0005949000000000, -0.0000327300000000 ] - [ -0.0005929300000000, 0.0001628100000000, -0.0000327300000000 ] - [ -0.0006360100000000, 0.0003463500000000, -0.0002861100000000 ] - [ 0.0000180600000000, -0.0007239800000000, -0.0002861100000000 ] - [ 0.0008233800000000, 0.0000094200000000, 0.0009032200000000 ] - [ 0.0006179600000000, 0.0003776300000000, -0.0002861100000000 ] - [ -0.0004035300000000, -0.0007177800000000, 0.0009032200000000 ] - [ -0.0004198500000000, 0.0007083600000000, 0.0009032200000000 ] - [ -0.0001538200000000, -0.0000088400000000, 0.0000225100000000 ] - [ 0.0000356500000000, -0.0001869200000000, 0.0002659300000000 ] - [ 0.0001923200000000, -0.0000643800000000, 0.0001829000000000 ] - [ 0.0006878400000000, 0.0003650400000000, -0.0001492300000000 ] - [ -0.0001255500000000, 0.0001313800000000, 0.0003221000000000 ] - [ -0.0006685600000000, 0.0004533500000000, -0.0002521900000000 ] - [ -0.0000404000000000, 0.0001987400000000, 0.0001829000000000 ] - [ 0.0011841000000000, -0.0002501400000000, -0.0023716800000000 ] - [ -0.0000277900000000, -0.0007782100000000, -0.0001492300000000 ] - [ -0.0004045500000000, 0.0018290000000000, 0.0014991300000000 ] - [ 0.0015316500000000, -0.0004067600000000, 0.0007119700000000 ] - [ -0.0013816800000000, -0.0012648500000000, 0.0014991300000000 ] - [ -0.0000510100000000, -0.0001744200000000, 0.0003221000000000 ] - [ -0.0008086800000000, -0.0009004000000000, -0.0023716800000000 ] - [ -0.0004743400000000, 0.0014024500000000, -0.0025768200000000 ] - [ -0.0003754300000000, 0.0011505300000000, -0.0023716800000000 ] - [ -0.0009773900000000, -0.0011120200000000, -0.0025768200000000 ] - [ -0.0001797100000000, 0.0000625900000000, 0.0002659300000000 ] - [ -0.0011180900000000, -0.0011230700000000, 0.0007119700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013272100000000 ] - [ 0.0017862300000000, -0.0005641500000000, 0.0014991300000000 ] - [ -0.0004135600000000, 0.0015298300000000, 0.0007119700000000 ] - [ -0.0000583300000000, -0.0008056700000000, -0.0002521900000000 ] - [ 0.0014517300000000, -0.0002904300000000, -0.0025768200000000 ] - [ 0.0000692500000000, 0.0001376300000000, 0.0000225100000000 ] - [ -0.0006600600000000, 0.0004131700000000, -0.0001492300000000 ] - [ 0.0001440600000000, 0.0001243400000000, 0.0002659300000000 ] - [ 0.0007269000000000, 0.0003523100000000, -0.0002521900000000 ] - [ 0.0000845700000000, -0.0001287900000000, 0.0000225100000000 ] - [ 0.0001765600000000, 0.0000430400000000, 0.0003221000000000 ] - [ -0.0001519100000000, -0.0001343600000000, 0.0001829000000000 ] - [ -0.0000303800000000, -0.0000646800000000, 0.0000103500000000 ] - [ -0.0002048500000000, -0.0001575200000000, -0.0000626100000000 ] - [ -0.0006928000000000, 0.0002398800000000, -0.0020753800000000 ] - [ 0.0002333900000000, 0.0005222500000000, -0.0004659200000000 ] - [ -0.0000542800000000, 0.0009471300000000, 0.0000673800000000 ] - [ -0.0000030100000000, -0.0002146700000000, -0.0000140800000000 ] - [ 0.0001386600000000, -0.0007199200000000, -0.0020753800000000 ] - [ -0.0000591300000000, 0.0000835400000000, -0.0000924200000000 ] - [ 0.0003355800000000, -0.0004632500000000, -0.0004659200000000 ] - [ -0.0000215000000000, 0.0002512300000000, -0.0001326200000000 ] - [ 0.0001535400000000, -0.0000361000000000, -0.0003279000000000 ] - [ -0.0002068200000000, -0.0001442400000000, -0.0001326200000000 ] - [ -0.0007931000000000, -0.0005205700000000, 0.0000673800000000 ] - [ 0.0001019100000000, 0.0000094400000000, -0.0000924200000000 ] - [ -0.0001798400000000, 0.0002514600000000, -0.0003775700000000 ] - [ -0.0000427800000000, -0.0000929700000000, -0.0000924200000000 ] - [ -0.0001278500000000, -0.0002814700000000, -0.0003775700000000 ] - [ -0.0000339900000000, 0.0002561600000000, -0.0000626100000000 ] - [ -0.0001080300000000, -0.0001149200000000, -0.0003279000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002814900000000 ] - [ 0.0002283200000000, -0.0001069900000000, -0.0001326200000000 ] - [ -0.0000455100000000, 0.0001510200000000, -0.0003279000000000 ] - [ 0.0001874100000000, 0.0001047300000000, -0.0000140800000000 ] - [ 0.0003076900000000, 0.0000300200000000, -0.0003775700000000 ] - [ -0.0000408300000000, 0.0000586500000000, 0.0000103500000000 ] - [ -0.0005689800000000, -0.0000590000000000, -0.0004659200000000 ] - [ 0.0002388400000000, -0.0000986400000000, -0.0000626100000000 ] - [ -0.0001844100000000, 0.0001099400000000, -0.0000140800000000 ] - [ 0.0000712100000000, 0.0000060400000000, 0.0000103500000000 ] - [ 0.0008473800000000, -0.0004265600000000, 0.0000673800000000 ] - [ 0.0005541400000000, 0.0004800400000000, -0.0020753800000000 ] - [ 0.0006922200000000, 0.0005494700000000, -0.0022164700000000 ] - [ 0.0006818100000000, -0.0006606000000000, -0.0000914900000000 ] - [ 0.0002411900000000, 0.0000494000000000, 0.0000903000000000 ] - [ -0.0002268100000000, 0.0001735400000000, -0.0000206400000000 ] - [ 0.0000161200000000, -0.0001102200000000, -0.0001551000000000 ] - [ -0.0006586500000000, 0.0000838100000000, -0.0004411200000000 ] - [ -0.0001633800000000, 0.0001841700000000, 0.0000903000000000 ] - [ -0.0000364300000000, 0.0000677700000000, -0.0000647600000000 ] - [ 0.0002637000000000, 0.0001096600000000, -0.0000206400000000 ] - [ 0.0000149500000000, 0.0001788600000000, 0.0002436600000000 ] - [ 0.0002590500000000, -0.0000359500000000, -0.0006557900000000 ] - [ -0.0001623700000000, -0.0000764800000000, 0.0002436600000000 ] - [ 0.0000873900000000, 0.0000690700000000, -0.0001551000000000 ] - [ 0.0000769000000000, -0.0000023400000000, -0.0000647600000000 ] - [ -0.0001713900000000, 0.0001988700000000, -0.0004561700000000 ] - [ -0.0000404700000000, -0.0000654300000000, -0.0000647600000000 ] - [ -0.0000865400000000, -0.0002478600000000, -0.0004561700000000 ] - [ -0.0009130000000000, -0.0002601700000000, -0.0000914900000000 ] - [ -0.0001606600000000, -0.0002063700000000, -0.0006557900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002754600000000 ] - [ 0.0001474200000000, -0.0001023700000000, 0.0002436600000000 ] - [ -0.0000984000000000, 0.0002423200000000, -0.0006557900000000 ] - [ 0.0002567400000000, -0.0006123100000000, -0.0004411200000000 ] - [ 0.0002579200000000, 0.0000489900000000, -0.0004561700000000 ] - [ 0.0001297400000000, -0.0008742100000000, -0.0022164700000000 ] - [ -0.0000368900000000, -0.0002832000000000, -0.0000206400000000 ] - [ 0.0002311900000000, 0.0009207700000000, -0.0000914900000000 ] - [ 0.0004019100000000, 0.0005285000000000, -0.0004411200000000 ] - [ -0.0008219600000000, 0.0003247500000000, -0.0022164700000000 ] - [ -0.0001035100000000, 0.0000411500000000, -0.0001551000000000 ] - [ -0.0000778100000000, -0.0002335800000000, 0.0000903000000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001028900000000, 0.0001433100000000, 0.0011083900000000 ] - [ -0.0000991800000000, -0.0003153400000000, 0.0008258500000000 ] - [ -0.0002235100000000, 0.0002435600000000, 0.0008258500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0167087800000000 ] - [ -0.0001755500000000, 0.0000174500000000, 0.0011083900000000 ] - [ 0.0000726700000000, -0.0001607600000000, 0.0011083900000000 ] - [ 0.0003226800000000, 0.0000717800000000, 0.0008258500000000 ] - [ -0.0000113200000000, 0.0001258800000000, 0.0000251400000000 ] - [ -0.0003530200000000, -0.0003571800000000, -0.0003961500000000 ] - [ -0.0001328100000000, 0.0004843100000000, -0.0003961500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002422800000000 ] - [ -0.0001033500000000, -0.0000727400000000, 0.0000251400000000 ] - [ 0.0001146700000000, -0.0000531400000000, 0.0000251400000000 ] - [ 0.0004858400000000, -0.0001271400000000, -0.0003961500000000 ] - [ 0.0004020100000000, -0.0001805700000000, -0.0001712300000000 ] - [ 0.0001036300000000, -0.0001581400000000, -0.0002894900000000 ] - [ -0.0001887700000000, -0.0000106800000000, -0.0002894900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002517200000000 ] - [ -0.0000446200000000, 0.0004384400000000, -0.0001712300000000 ] - [ -0.0003573900000000, -0.0002578600000000, -0.0001712300000000 ] - [ 0.0000851300000000, 0.0001688200000000, -0.0002894900000000 ] - [ 0.0008357200000000, -0.0057411100000000, -0.0064426300000000 ] - [ 0.0045540800000000, 0.0035943100000000, -0.0064426300000000 ] - [ -0.0048368900000000, 0.0019207700000000, -0.0069830700000000 ] - [ -0.0053898000000000, 0.0021468000000000, -0.0064426300000000 ] - [ 0.0040818800000000, 0.0032284800000000, -0.0069830700000000 ] - [ 0.0007550100000000, -0.0051492500000000, -0.0069830700000000 ] - [ -0.0008209300000000, -0.0004396600000000, -0.0001853000000000 ] - [ 0.0007912200000000, -0.0004911200000000, -0.0001853000000000 ] - [ 0.0003166800000000, 0.0005386400000000, 0.0010682900000000 ] - [ 0.0000297100000000, 0.0009307800000000, -0.0001853000000000 ] - [ 0.0003081300000000, -0.0005435800000000, 0.0010682900000000 ] - [ -0.0006248200000000, 0.0000049400000000, 0.0010682900000000 ] - [ -0.0006363600000000, 0.0001568600000000, 0.0008437100000000 ] - [ 0.0001823300000000, -0.0006295300000000, 0.0008437100000000 ] - [ -0.0000733300000000, 0.0009544500000000, 0.0001692600000000 ] - [ 0.0004540300000000, 0.0004726700000000, 0.0008437100000000 ] - [ 0.0008632400000000, -0.0004137200000000, 0.0001692600000000 ] - [ -0.0007899100000000, -0.0005407300000000, 0.0001692600000000 ] - [ 0.0001917300000000, -0.0000451100000000, -0.0003260600000000 ] - [ -0.0002139800000000, -0.0000881000000000, -0.0002524800000000 ] - [ 0.0000272700000000, 0.0002460000000000, -0.0001977700000000 ] - [ -0.0012829000000000, 0.0000697600000000, 0.0000883000000000 ] - [ -0.0000376500000000, -0.0002185600000000, -0.0002129000000000 ] - [ 0.0006734700000000, -0.0010207000000000, 0.0001654300000000 ] - [ -0.0002266800000000, -0.0000993800000000, -0.0001977700000000 ] - [ -0.0012800300000000, 0.0004011300000000, 0.0022442300000000 ] - [ 0.0007018700000000, 0.0010761500000000, 0.0000883000000000 ] - [ 0.0003470500000000, -0.0013916400000000, -0.0011572900000000 ] - [ -0.0011789500000000, 0.0003972300000000, -0.0016784600000000 ] - [ 0.0010316700000000, 0.0009963800000000, -0.0011572900000000 ] - [ 0.0002081000000000, 0.0000766800000000, -0.0002129000000000 ] - [ 0.0009874000000000, 0.0009079700000000, 0.0022442300000000 ] - [ 0.0001144500000000, -0.0009609000000000, 0.0017460500000000 ] - [ 0.0002926300000000, -0.0013091000000000, 0.0022442300000000 ] - [ 0.0007749400000000, 0.0005795700000000, 0.0017460500000000 ] - [ 0.0000307000000000, 0.0002293600000000, -0.0002524800000000 ] - [ 0.0009334800000000, 0.0008223900000000, -0.0016784600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019897500000000 ] - [ -0.0013787200000000, 0.0003952600000000, -0.0011572900000000 ] - [ 0.0002454700000000, -0.0012196100000000, -0.0016784600000000 ] - [ 0.0005472200000000, 0.0010935900000000, 0.0001654300000000 ] - [ -0.0008893900000000, 0.0003813300000000, 0.0017460500000000 ] - [ -0.0001349400000000, -0.0001434900000000, -0.0003260600000000 ] - [ 0.0005810400000000, -0.0011459100000000, 0.0000883000000000 ] - [ 0.0001832900000000, -0.0001412700000000, -0.0002524800000000 ] - [ -0.0012206900000000, -0.0000728900000000, 0.0001654300000000 ] - [ -0.0000568000000000, 0.0001886000000000, -0.0003260600000000 ] - [ -0.0001704500000000, 0.0001418800000000, -0.0002129000000000 ] - [ 0.0001994100000000, -0.0001466200000000, -0.0001977700000000 ] - [ 0.0001259000000000, 0.0000864500000000, -0.0003356700000000 ] - [ 0.0000172900000000, -0.0000987500000000, 0.0002428600000000 ] - [ 0.0009628800000000, -0.0001150500000000, 0.0021685100000000 ] - [ -0.0008261700000000, -0.0000848000000000, 0.0002892900000000 ] - [ -0.0000782100000000, -0.0009904400000000, 0.0001425400000000 ] - [ 0.0000058500000000, -0.0003542700000000, -0.0002375400000000 ] - [ -0.0003818000000000, 0.0008914000000000, 0.0021685100000000 ] - [ -0.0000450800000000, 0.0000573900000000, -0.0000008600000000 ] - [ 0.0003396400000000, 0.0007578800000000, 0.0002892900000000 ] - [ 0.0000028600000000, 0.0001742400000000, 0.0005012100000000 ] - [ 0.0002544800000000, -0.0000363700000000, -0.0005623200000000 ] - [ -0.0001523300000000, -0.0000846400000000, 0.0005012100000000 ] - [ 0.0008968500000000, 0.0004274900000000, 0.0001425400000000 ] - [ 0.0000722400000000, 0.0000103500000000, -0.0000008600000000 ] - [ -0.0001640700000000, 0.0001867500000000, -0.0005187200000000 ] - [ -0.0000271500000000, -0.0000677400000000, -0.0000008600000000 ] - [ -0.0000797000000000, -0.0002354600000000, -0.0005187200000000 ] - [ -0.0000941700000000, 0.0000344000000000, 0.0002428600000000 ] - [ -0.0001587400000000, -0.0002022000000000, -0.0005623200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001204600000000 ] - [ 0.0001494700000000, -0.0000896000000000, 0.0005012100000000 ] - [ -0.0000957400000000, 0.0002385700000000, -0.0005623200000000 ] - [ 0.0003038800000000, 0.0001822100000000, -0.0002375400000000 ] - [ 0.0002437600000000, 0.0000487100000000, -0.0005187200000000 ] - [ 0.0000119200000000, -0.0001522500000000, -0.0003356700000000 ] - [ 0.0004865200000000, -0.0006730800000000, 0.0002892900000000 ] - [ 0.0000768700000000, 0.0000643500000000, 0.0002428600000000 ] - [ -0.0003097400000000, 0.0001720700000000, -0.0002375400000000 ] - [ -0.0001378100000000, 0.0000658100000000, -0.0003356700000000 ] - [ -0.0008186400000000, 0.0005629500000000, 0.0001425400000000 ] - [ -0.0005810800000000, -0.0007763500000000, 0.0021685100000000 ] - [ -0.0006237100000000, -0.0005599500000000, 0.0021220400000000 ] - [ -0.0009191000000000, 0.0004566900000000, 0.0001063400000000 ] - [ 0.0000222300000000, 0.0000774700000000, -0.0002290400000000 ] - [ -0.0003710200000000, 0.0002594600000000, -0.0002340200000000 ] - [ -0.0001421900000000, 0.0000728600000000, 0.0001558100000000 ] - [ 0.0006561900000000, -0.0006516500000000, 0.0004080000000000 ] - [ -0.0000782100000000, -0.0000194800000000, -0.0002290400000000 ] - [ -0.0000693800000000, 0.0000745000000000, -0.0001854900000000 ] - [ 0.0004102100000000, 0.0001915800000000, -0.0002340200000000 ] - [ -0.0000334800000000, 0.0002494300000000, 0.0000340700000000 ] - [ 0.0001567400000000, -0.0000102500000000, -0.0000382600000000 ] - [ -0.0001992700000000, -0.0001537100000000, 0.0000340700000000 ] - [ 0.0000079900000000, -0.0001595700000000, 0.0001558100000000 ] - [ 0.0000992100000000, 0.0000228400000000, -0.0001854900000000 ] - [ -0.0001367100000000, 0.0002348700000000, -0.0003272500000000 ] - [ -0.0000298200000000, -0.0000973400000000, -0.0001854900000000 ] - [ -0.0001350500000000, -0.0002358300000000, -0.0003272500000000 ] - [ 0.0008550600000000, 0.0005676200000000, 0.0001063400000000 ] - [ -0.0000872500000000, -0.0001306200000000, -0.0000382600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002070100000000 ] - [ 0.0002327500000000, -0.0000957200000000, 0.0000340700000000 ] - [ -0.0000695000000000, 0.0001408700000000, -0.0000382600000000 ] - [ 0.0002362500000000, 0.0008941000000000, 0.0004080000000000 ] - [ 0.0002717600000000, 0.0000009600000000, -0.0003272500000000 ] - [ -0.0001730700000000, 0.0008201200000000, 0.0021220400000000 ] - [ -0.0000391900000000, -0.0004510400000000, -0.0002340200000000 ] - [ 0.0000640500000000, -0.0010243100000000, 0.0001063400000000 ] - [ -0.0008924400000000, -0.0002424500000000, 0.0004080000000000 ] - [ 0.0007967800000000, -0.0002601800000000, 0.0021220400000000 ] - [ 0.0001342000000000, 0.0000867100000000, 0.0001558100000000 ] - [ 0.0000559800000000, -0.0000579900000000, -0.0002290400000000 ]- atom: 22 displacement: [ 0.0100000000000000, 0.0000000000065404, 0.0000000000000000 ] forces: - [ 0.0001454700000000, -0.0005069000000000, 0.0089684600000000 ] - [ 0.0004869200000000, 0.0016892400000000, 0.0005213300000000 ] - [ -0.0016197000000000, 0.0017464800000000, -0.0050320500000000 ] - [ -0.0046478600000000, -0.0013657300000000, -0.0011736200000000 ] - [ -0.0000419900000000, 0.0002784100000000, 0.0003810700000000 ] - [ 0.0022385000000000, -0.0004363900000000, -0.0013086800000000 ] - [ 0.0001275500000000, -0.0015573600000000, -0.0006894400000000 ] - [ 0.0011273500000000, 0.0015767900000000, 0.0001317600000000 ] - [ 0.0099048600000000, 0.0022858700000000, 0.0000400800000000 ] - [ -0.0001545000000000, -0.0011573100000000, -0.0003017200000000 ] - [ 0.0028686000000000, -0.0003407300000000, 0.0002917400000000 ] - [ 0.0028685200000000, -0.0000300500000000, 0.0000002800000000 ] - [ 0.0033428300000000, -0.0102560800000000, -0.0014910700000000 ] - [ 0.0110543000000000, 0.0061363600000000, -0.0010366600000000 ] - [ 0.0008995800000000, -0.0010191400000000, 0.0006817000000000 ] - [ 0.0000043800000000, -0.0015695100000000, -0.0003324500000000 ] - [ 0.0016954900000000, 0.0007850500000000, -0.0004507600000000 ] - [ -0.0001750600000000, 0.0004071500000000, 0.0004802600000000 ] - [ -0.0046181000000000, -0.0007548400000000, -0.0008239300000000 ] - [ 0.0000687100000000, 0.0013769100000000, -0.0001611200000000 ] - [ 0.0009182100000000, 0.0018063600000000, 0.0008428200000000 ] - [ -0.2467801000000000, 0.0017278300000000, -0.0087919100000000 ] - [ -0.0074206000000000, 0.0186397100000000, -0.0001273700000000 ] - [ -0.0059485300000000, 0.0133098100000000, -0.0179583200000000 ] - [ 0.0150521000000000, -0.0316472600000000, 0.0032043400000000 ] - [ 0.0017917900000000, -0.0103942300000000, 0.0247236400000000 ] - [ -0.0067387400000000, -0.0033508200000000, 0.0016472100000000 ] - [ 0.0031590900000000, -0.0001346700000000, 0.0002015100000000 ] - [ 0.0105058800000000, -0.0003557300000000, 0.0022811300000000 ] - [ 0.0080589300000000, 0.0039568200000000, -0.0015369400000000 ] - [ 0.0085684400000000, -0.0030179600000000, -0.0068837300000000 ] - [ 0.0053583500000000, -0.0058656200000000, 0.0025059200000000 ] - [ 0.0105453900000000, 0.0006840700000000, 0.0031621000000000 ] - [ 0.0031686400000000, 0.0009121300000000, 0.0001956200000000 ] - [ -0.0053294900000000, -0.0050131200000000, 0.0010439200000000 ] - [ 0.0013414600000000, -0.0046481600000000, 0.0006242700000000 ] - [ 0.0012265100000000, 0.0057073400000000, -0.0012217500000000 ] - [ 0.0040291100000000, 0.0062449800000000, 0.0006049900000000 ] - [ -0.0156484900000000, 0.0221377700000000, 0.0077910500000000 ] - [ -0.0016496500000000, -0.0005035000000000, 0.0008501700000000 ] - [ -0.0048472100000000, -0.0004427200000000, -0.0026045400000000 ] - [ 0.0053536800000000, 0.0001323800000000, 0.0021534000000000 ] - [ -0.0019257100000000, -0.0028917600000000, 0.0001815300000000 ] - [ 0.0021454500000000, 0.0010423500000000, -0.0002741200000000 ] - [ -0.0002581100000000, 0.0002626400000000, 0.0011335100000000 ] - [ -0.0003614400000000, -0.0015051400000000, -0.0009201900000000 ] - [ 0.0165590600000000, 0.0068576000000000, 0.0033914400000000 ] - [ 0.0286133800000000, 0.0080578200000000, -0.0113671200000000 ] - [ 0.0152077100000000, 0.0000317100000000, -0.0022924400000000 ] - [ 0.0018008400000000, -0.0008330600000000, 0.0004403900000000 ] - [ 0.0010236900000000, -0.0016583000000000, -0.0016048500000000 ] - [ -0.0006877400000000, -0.0014865400000000, 0.0003010900000000 ] - [ 0.0267061400000000, -0.0087879700000000, -0.0066420600000000 ] - [ 0.0089210900000000, 0.0018526300000000, -0.0004145400000000 ] - [ 0.0090132300000000, 0.0035868500000000, -0.0001091000000000 ] - [ 0.0032028300000000, -0.0029620800000000, -0.0002577500000000 ] - [ -0.0042248600000000, -0.0023228900000000, 0.0026098200000000 ] - [ 0.0005714000000000, 0.0003375500000000, -0.0016497600000000 ] - [ 0.0062680900000000, 0.0017930900000000, -0.0011100000000000 ] - [ -0.0004454600000000, 0.0027916800000000, 0.0037161400000000 ] - [ 0.0006173800000000, 0.0006926200000000, -0.0004369300000000 ] - [ 0.0006356000000000, 0.0003854600000000, -0.0000860900000000 ] - [ 0.0015550100000000, 0.0039111000000000, -0.0008805400000000 ] - [ -0.0011258800000000, -0.0003242200000000, -0.0002769600000000 ] - [ -0.0018439000000000, 0.0041986400000000, 0.0005757900000000 ] - [ -0.0000390800000000, 0.0017035100000000, 0.0002303100000000 ] - [ -0.0034292200000000, 0.0001624900000000, -0.0005254900000000 ] - [ -0.0009331600000000, 0.0006727800000000, -0.0010420300000000 ] - [ -0.0016075900000000, 0.0008499400000000, -0.0001235900000000 ] - [ -0.0008421800000000, 0.0001751300000000, 0.0005323300000000 ] - [ -0.0007315800000000, -0.0031737100000000, 0.0019029300000000 ] - [ -0.0006918700000000, -0.0048181500000000, -0.0009585300000000 ] - [ 0.0025849800000000, -0.0005482000000000, 0.0020783100000000 ] - [ -0.0049149300000000, -0.0000197700000000, -0.0023458200000000 ] - [ 0.0008696100000000, -0.0024477000000000, -0.0005340700000000 ] - [ -0.0003465500000000, -0.0011742500000000, -0.0000228500000000 ] - [ -0.0026145300000000, 0.0027333900000000, -0.0034747300000000 ] - [ -0.0014198000000000, -0.0012408100000000, -0.0001481700000000 ] - [ 0.0004049500000000, 0.0009771200000000, 0.0000043300000000 ] - [ -0.0006384900000000, 0.0003461400000000, 0.0002950800000000 ] - [ -0.0016667600000000, -0.0009393600000000, 0.0004436100000000 ] - [ -0.0026024500000000, -0.0001450100000000, -0.0007213100000000 ] - [ -0.0041395500000000, 0.0012535200000000, 0.0007773100000000 ] - [ -0.0024954900000000, 0.0022984300000000, 0.0001870700000000 ] - [ -0.0027764200000000, -0.0002584400000000, -0.0004703000000000 ] - [ -0.0049821200000000, -0.0009477300000000, 0.0002310100000000 ] - [ -0.0031821600000000, 0.0008853300000000, -0.0001288000000000 ] - [ 0.0007759900000000, 0.0028410600000000, -0.0001159400000000 ] - [ -0.0016422100000000, 0.0009761200000000, -0.0015020600000000 ] - [ -0.0021841400000000, 0.0004176800000000, 0.0000779500000000 ] - [ -0.0034609000000000, 0.0012332600000000, 0.0042832400000000 ] - [ -0.0026373400000000, 0.0001420400000000, -0.0013345300000000 ] - [ -0.0016076500000000, -0.0006642700000000, 0.0001826100000000 ] - [ -0.0022269700000000, 0.0008798900000000, -0.0018052700000000 ] - [ 0.0003601700000000, 0.0013390200000000, 0.0006019400000000 ] - [ -0.0021216200000000, -0.0004933900000000, 0.0026282500000000 ] - [ -0.0015224200000000, -0.0028620700000000, 0.0000886400000000 ] - [ -0.0002725400000000, 0.0037773300000000, -0.0027229500000000 ] - [ -0.0010228100000000, -0.0004668000000000, -0.0007024100000000 ] - [ 0.0800515200000000, -0.0188371200000000, 0.0217352500000000 ] - [ 0.0215716100000000, -0.0003913200000000, -0.0106847200000000 ] - [ 0.0021821800000000, 0.0029082600000000, -0.0037079000000000 ] - [ -0.0000350700000000, 0.0007523000000000, -0.0000984300000000 ] - [ -0.0022329700000000, 0.0002073200000000, -0.0019556600000000 ] - [ 0.0001620900000000, 0.0014092200000000, -0.0004679100000000 ] - [ -0.0015406300000000, 0.0005015300000000, -0.0000590200000000 ] - [ -0.0036850000000000, 0.0027647900000000, -0.0009202200000000 ] - [ -0.0008614000000000, 0.0014825800000000, 0.0010035700000000 ] - [ 0.0000681100000000, 0.0008716400000000, -0.0001450600000000 ] - [ -0.0011331300000000, -0.0011498800000000, -0.0001490300000000 ] - [ -0.0006133100000000, 0.0000645200000000, 0.0001076200000000 ] - [ 0.0001420400000000, 0.0006351800000000, -0.0005288600000000 ] - [ 0.0003547000000000, 0.0003189900000000, -0.0000226300000000 ] - [ -0.0004506000000000, 0.0015422700000000, 0.0019624600000000 ] - [ 0.0002161800000000, -0.0007625600000000, -0.0000885400000000 ] - [ -0.0016313900000000, -0.0000516600000000, -0.0003825400000000 ] - [ 0.0015867100000000, -0.0003179600000000, 0.0000160600000000 ] - [ 0.0027842600000000, 0.0001430600000000, -0.0008114300000000 ] - [ -0.0015433200000000, -0.0017604900000000, 0.0008000100000000 ] - [ -0.0005662200000000, -0.0009874700000000, -0.0002693400000000 ] - [ 0.0001975600000000, -0.0015541400000000, 0.0004929900000000 ] - [ 0.0001728200000000, -0.0008373900000000, 0.0001721300000000 ] - [ 0.0015158300000000, -0.0003720300000000, -0.0020001600000000 ] - [ 0.0179875900000000, -0.0017364500000000, -0.0035975300000000 ] - [ -0.0007264900000000, -0.0035701100000000, -0.0004924800000000 ] - [ 0.0002806000000000, -0.0039275700000000, 0.0010407300000000 ] - [ -0.0004841900000000, -0.0017830600000000, -0.0001343900000000 ] - [ 0.0008759400000000, -0.0022026700000000, -0.0021887500000000 ] - [ -0.0017175600000000, -0.0016187300000000, 0.0004280500000000 ] - [ 0.0204821700000000, 0.0059103000000000, 0.0091284600000000 ] - [ -0.0010025300000000, -0.0004761500000000, -0.0002231300000000 ] - [ -0.0009097300000000, -0.0008430900000000, 0.0007443700000000 ]- atom: 22 displacement: [ -0.0100000000000000, -0.0000000000065404, 0.0000000000000000 ] forces: - [ -0.0001867300000000, 0.0004212000000000, -0.0087631600000000 ] - [ -0.0005397000000000, -0.0017972100000000, -0.0008521400000000 ] - [ 0.0015239200000000, -0.0016517600000000, 0.0047017000000000 ] - [ 0.0046240300000000, 0.0013990900000000, 0.0017877000000000 ] - [ 0.0001483900000000, -0.0002972500000000, -0.0001241100000000 ] - [ -0.0022725900000000, 0.0005391200000000, 0.0015563100000000 ] - [ -0.0000073400000000, 0.0015544800000000, 0.0003579700000000 ] - [ -0.0012036700000000, -0.0016492300000000, 0.0001017500000000 ] - [ -0.0098933400000000, -0.0023683900000000, -0.0003671300000000 ] - [ 0.0000899600000000, 0.0012709200000000, -0.0000276600000000 ] - [ -0.0028732700000000, 0.0003465800000000, 0.0002956400000000 ] - [ -0.0027609200000000, -0.0000002800000000, 0.0002336200000000 ] - [ -0.0033738600000000, 0.0104273300000000, 0.0017397400000000 ] - [ -0.0110073700000000, -0.0061980100000000, 0.0007143400000000 ] - [ -0.0009730700000000, 0.0009366000000000, -0.0004427600000000 ] - [ -0.0000629900000000, 0.0014642500000000, -0.0000159600000000 ] - [ -0.0017523500000000, -0.0006828000000000, 0.0001040100000000 ] - [ 0.0001763400000000, -0.0004134000000000, 0.0001226900000000 ] - [ 0.0047309400000000, 0.0007249400000000, 0.0010352800000000 ] - [ -0.0001009700000000, -0.0012725700000000, 0.0003990000000000 ] - [ -0.0008004000000000, -0.0018023600000000, -0.0011902100000000 ] - [ 0.2473908100000000, -0.0016261000000000, 0.0096434100000000 ] - [ 0.0076509200000000, -0.0198939300000000, 0.0006321200000000 ] - [ 0.0067617800000000, -0.0123308800000000, 0.0190327400000000 ] - [ -0.0139523300000000, 0.0323328100000000, -0.0026738700000000 ] - [ -0.0013785200000000, 0.0092454000000000, -0.0235570600000000 ] - [ 0.0055030100000000, 0.0035320200000000, -0.0005619600000000 ] - [ -0.0044412900000000, 0.0006455900000000, 0.0003660300000000 ] - [ -0.0102984500000000, -0.0009933600000000, -0.0016954800000000 ] - [ -0.0073032700000000, -0.0029645300000000, 0.0025511700000000 ] - [ -0.0074932400000000, 0.0038845000000000, 0.0075043200000000 ] - [ -0.0048943200000000, 0.0047445100000000, -0.0014897700000000 ] - [ -0.0117701600000000, -0.0005233000000000, -0.0021534900000000 ] - [ -0.0044319900000000, -0.0004324900000000, 0.0003750300000000 ] - [ 0.0055644000000000, 0.0036484500000000, -0.0004663100000000 ] - [ -0.0005714400000000, 0.0055837900000000, 0.0004493400000000 ] - [ -0.0001732300000000, -0.0048592200000000, 0.0017994800000000 ] - [ -0.0035537200000000, -0.0074088000000000, 0.0004640100000000 ] - [ 0.0142941100000000, -0.0220325500000000, -0.0066895100000000 ] - [ 0.0016820000000000, 0.0004499300000000, -0.0011519000000000 ] - [ 0.0046777700000000, 0.0001748100000000, 0.0026377500000000 ] - [ -0.0051466000000000, 0.0000629400000000, -0.0021903600000000 ] - [ 0.0013125300000000, 0.0033359300000000, -0.0002466300000000 ] - [ -0.0023190300000000, -0.0011155400000000, 0.0003848200000000 ] - [ 0.0002387100000000, -0.0008194500000000, -0.0012206300000000 ] - [ 0.0000925000000000, 0.0016106200000000, 0.0009034100000000 ] - [ -0.0167221900000000, -0.0072114600000000, -0.0035848100000000 ] - [ -0.0271618800000000, -0.0067434200000000, 0.0108848600000000 ] - [ -0.0153068500000000, 0.0003494500000000, 0.0028096900000000 ] - [ -0.0013772200000000, 0.0008003500000000, -0.0013561600000000 ] - [ -0.0013261800000000, 0.0014254000000000, 0.0018979600000000 ] - [ 0.0008430500000000, 0.0013878200000000, -0.0001904200000000 ] - [ -0.0251646700000000, 0.0075140100000000, 0.0062198300000000 ] - [ -0.0092686700000000, -0.0014055900000000, -0.0004217400000000 ] - [ -0.0090594000000000, -0.0037475600000000, -0.0000210200000000 ] - [ -0.0034071800000000, 0.0024179200000000, -0.0005784100000000 ] - [ 0.0040630300000000, 0.0026002400000000, -0.0025781000000000 ] - [ -0.0008066800000000, -0.0006962100000000, 0.0007300300000000 ] - [ -0.0062520800000000, -0.0017961600000000, 0.0017740600000000 ] - [ 0.0007886700000000, -0.0029285400000000, -0.0034026000000000 ] - [ -0.0008017600000000, -0.0003044500000000, -0.0004783000000000 ] - [ -0.0001466400000000, -0.0001088300000000, 0.0000010000000000 ] - [ -0.0009803800000000, -0.0038204000000000, 0.0000437900000000 ] - [ 0.0010654800000000, 0.0003136700000000, -0.0000268600000000 ] - [ 0.0017598600000000, -0.0049252000000000, -0.0006381400000000 ] - [ 0.0003666700000000, -0.0017154600000000, -0.0002138600000000 ] - [ 0.0029488800000000, 0.0001240000000000, 0.0004358700000000 ] - [ 0.0009640500000000, -0.0006172400000000, 0.0007426200000000 ] - [ 0.0016096400000000, -0.0006655900000000, 0.0002353600000000 ] - [ 0.0008885200000000, -0.0004499600000000, -0.0005527500000000 ] - [ 0.0008390300000000, 0.0031977800000000, -0.0022457100000000 ] - [ 0.0005282200000000, 0.0045302000000000, 0.0011438900000000 ] - [ -0.0023103500000000, 0.0006666500000000, -0.0019781900000000 ] - [ 0.0043289300000000, 0.0004611300000000, 0.0021515800000000 ] - [ -0.0009968200000000, 0.0023856900000000, 0.0007363700000000 ] - [ 0.0003523000000000, 0.0005972500000000, -0.0002305000000000 ] - [ 0.0023670200000000, -0.0025420200000000, 0.0035358100000000 ] - [ 0.0013159900000000, 0.0013752700000000, 0.0000469900000000 ] - [ 0.0002692900000000, -0.0006938200000000, -0.0001830200000000 ] - [ 0.0006243100000000, 0.0000713600000000, 0.0000674100000000 ] - [ 0.0020717600000000, 0.0008595700000000, -0.0013222400000000 ] - [ 0.0022381500000000, -0.0000837900000000, 0.0010734300000000 ] - [ 0.0042357200000000, -0.0013232100000000, -0.0005713900000000 ] - [ 0.0026778900000000, -0.0022851500000000, -0.0002878400000000 ] - [ 0.0024332000000000, 0.0006926600000000, -0.0004258200000000 ] - [ 0.0049144300000000, 0.0007860300000000, -0.0003327600000000 ] - [ 0.0029735100000000, -0.0014017700000000, -0.0007659400000000 ] - [ -0.0009101100000000, -0.0025585100000000, 0.0002952900000000 ] - [ 0.0013767200000000, -0.0012988100000000, 0.0006244200000000 ] - [ 0.0021838800000000, -0.0004199600000000, 0.0003287800000000 ] - [ 0.0038580900000000, -0.0014385300000000, -0.0039585700000000 ] - [ 0.0025053900000000, 0.0002475500000000, 0.0004586100000000 ] - [ 0.0020986800000000, 0.0009555800000000, -0.0004320200000000 ] - [ 0.0027829200000000, -0.0008048400000000, 0.0009180200000000 ] - [ -0.0003901000000000, -0.0014334500000000, -0.0009267900000000 ] - [ 0.0020198700000000, -0.0002276200000000, -0.0028243600000000 ] - [ 0.0018404600000000, 0.0028547900000000, 0.0000923700000000 ] - [ -0.0002275200000000, -0.0035070700000000, 0.0024834800000000 ] - [ 0.0009557500000000, 0.0005415600000000, 0.0003742800000000 ] - [ -0.0841982100000000, 0.0202977600000000, -0.0230804200000000 ] - [ -0.0219214300000000, -0.0001252000000000, 0.0115997100000000 ] - [ -0.0021059800000000, -0.0029118300000000, 0.0036005000000000 ] - [ -0.0001990300000000, -0.0009589200000000, 0.0001191000000000 ] - [ 0.0024971600000000, -0.0000800000000000, 0.0018185600000000 ] - [ -0.0007643000000000, -0.0009786000000000, 0.0002155200000000 ] - [ 0.0014145000000000, -0.0005353100000000, 0.0000583700000000 ] - [ 0.0036778800000000, -0.0033259400000000, 0.0008831100000000 ] - [ 0.0006164600000000, -0.0013161600000000, -0.0011448100000000 ] - [ -0.0001714000000000, -0.0007207300000000, -0.0001112000000000 ] - [ 0.0018065500000000, 0.0014547600000000, -0.0001040300000000 ] - [ 0.0005975900000000, 0.0003626200000000, 0.0001690600000000 ] - [ 0.0002731400000000, -0.0006771700000000, -0.0001620400000000 ] - [ -0.0007183900000000, -0.0005462100000000, 0.0002998700000000 ] - [ 0.0005316300000000, -0.0016424100000000, -0.0019701700000000 ] - [ -0.0000403300000000, 0.0007890200000000, -0.0001661500000000 ] - [ 0.0013242600000000, 0.0004890900000000, -0.0004014200000000 ] - [ -0.0016549300000000, 0.0001579700000000, -0.0002722000000000 ] - [ -0.0030236800000000, -0.0005968600000000, 0.0000234100000000 ] - [ 0.0014653200000000, 0.0020600400000000, -0.0007788600000000 ] - [ 0.0003135200000000, 0.0006546200000000, -0.0004202600000000 ] - [ -0.0001995600000000, 0.0015672100000000, -0.0000100900000000 ] - [ 0.0002069800000000, 0.0006410400000000, 0.0001030200000000 ] - [ -0.0016691100000000, 0.0007672100000000, 0.0013240300000000 ] - [ -0.0174055800000000, 0.0020614600000000, 0.0035348800000000 ] - [ 0.0012618700000000, 0.0036389100000000, -0.0002903300000000 ] - [ -0.0003362500000000, 0.0038724300000000, -0.0011332800000000 ] - [ 0.0004125000000000, 0.0010434900000000, -0.0001172900000000 ] - [ -0.0005712100000000, 0.0021065000000000, 0.0022058400000000 ] - [ 0.0012121400000000, 0.0019022400000000, -0.0004607100000000 ] - [ -0.0199519800000000, -0.0058002300000000, -0.0082647000000000 ] - [ 0.0010339800000000, 0.0005971300000000, 0.0002244100000000 ] - [ 0.0008872000000000, 0.0005484000000000, -0.0008821900000000 ]- atom: 22 displacement: [ -0.0050000000104457, 0.0086602540318135, 0.0000000000000000 ] forces: - [ -0.0001918000000000, -0.0032431300000000, -0.0057783500000000 ] - [ 0.0015218000000000, -0.0004338500000000, 0.0004617900000000 ] - [ 0.0018951600000000, -0.0033062600000000, -0.0016407600000000 ] - [ 0.0010908800000000, 0.0014442400000000, 0.0062350000000000 ] - [ 0.0002689700000000, 0.0016384300000000, 0.0006853900000000 ] - [ -0.0021639400000000, -0.0007061500000000, 0.0015975600000000 ] - [ -0.0010920400000000, 0.0022373800000000, 0.0004165900000000 ] - [ 0.0013420600000000, 0.0010492400000000, 0.0000187200000000 ] - [ -0.0021887000000000, -0.0056349000000000, -0.0000288300000000 ] - [ -0.0011808500000000, 0.0026265300000000, -0.0001013900000000 ] - [ -0.0016920700000000, -0.0000259000000000, 0.0003774800000000 ] - [ -0.0019461000000000, -0.0000131500000000, 0.0001143100000000 ] - [ -0.0088960800000000, 0.0086736800000000, 0.0006988100000000 ] - [ -0.0022639200000000, -0.0062557800000000, 0.0005273300000000 ] - [ -0.0014621900000000, 0.0009730500000000, -0.0004212700000000 ] - [ -0.0013581500000000, 0.0019013600000000, 0.0002180200000000 ] - [ -0.0001778300000000, -0.0001676500000000, -0.0001529700000000 ] - [ 0.0002475700000000, 0.0016727800000000, 0.0008099100000000 ] - [ 0.0014852700000000, -0.0013946200000000, 0.0060503800000000 ] - [ 0.0010384700000000, 0.0008284700000000, -0.0002509100000000 ] - [ 0.0012739300000000, -0.0010100500000000, 0.0005946900000000 ] - [ 0.1246095300000000, -0.1812366100000000, -0.0087582600000000 ] - [ 0.0144485200000000, 0.0243799800000000, -0.0041790000000000 ] - [ 0.0082760100000000, -0.0095943800000000, -0.0006251800000000 ] - [ -0.0282623100000000, 0.0319229900000000, -0.0052023100000000 ] - [ -0.0024544700000000, -0.0066123700000000, -0.0132155800000000 ] - [ -0.0006429500000000, 0.0069393500000000, -0.0036148400000000 ] - [ -0.0019629200000000, 0.0037796100000000, 0.0000329500000000 ] - [ -0.0053309400000000, -0.0029968000000000, -0.0006685800000000 ] - [ -0.0008419600000000, -0.0014515200000000, 0.0003966100000000 ] - [ -0.0053158500000000, -0.0036933600000000, 0.0057350500000000 ] - [ -0.0061650600000000, 0.0038290100000000, -0.0016504700000000 ] - [ -0.0055802000000000, -0.0023263100000000, -0.0005785700000000 ] - [ -0.0028614200000000, 0.0032606300000000, 0.0004899300000000 ] - [ -0.0020724300000000, 0.0073368000000000, -0.0066981200000000 ] - [ -0.0057627500000000, 0.0140551300000000, -0.0000472300000000 ] - [ 0.0052652000000000, 0.0040123200000000, -0.0015115400000000 ] - [ 0.0052293300000000, 0.0044942300000000, -0.0000400900000000 ] - [ 0.0265946200000000, 0.0293907500000000, -0.0016358100000000 ] - [ 0.0008792600000000, 0.0008734800000000, -0.0009763500000000 ] - [ 0.0010865400000000, 0.0011489200000000, 0.0008223700000000 ] - [ 0.0002075000000000, -0.0060567600000000, 0.0060371600000000 ] - [ -0.0055294400000000, -0.0003872300000000, -0.0002114700000000 ] - [ -0.0007179500000000, 0.0000565300000000, 0.0009500900000000 ] - [ -0.0008411700000000, 0.0025609700000000, -0.0001117300000000 ] - [ -0.0009813900000000, -0.0010990600000000, -0.0003951700000000 ] - [ 0.0017806600000000, 0.0204757000000000, 0.0051117200000000 ] - [ 0.0014697200000000, 0.0180916500000000, -0.0014006300000000 ] - [ -0.0078142200000000, 0.0116450600000000, 0.0065445900000000 ] - [ -0.0013322700000000, 0.0013684700000000, -0.0010190900000000 ] - [ -0.0017428600000000, -0.0023669900000000, -0.0024160600000000 ] - [ -0.0014010700000000, -0.0013951500000000, 0.0002896500000000 ] - [ -0.0237346900000000, 0.0184664200000000, 0.0083154100000000 ] - [ -0.0033057200000000, 0.0017584800000000, 0.0001562900000000 ] - [ -0.0013017200000000, -0.0061338600000000, 0.0001174400000000 ] - [ -0.0018774900000000, 0.0003392100000000, 0.0000052800000000 ] - [ 0.0004878800000000, 0.0021299300000000, -0.0004875600000000 ] - [ 0.0000969800000000, 0.0010904800000000, -0.0005938100000000 ] - [ -0.0016034300000000, -0.0014085400000000, 0.0058886100000000 ] - [ 0.0025161100000000, -0.0029228100000000, -0.0038552000000000 ] - [ -0.0000361500000000, -0.0009784200000000, -0.0007490200000000 ] - [ -0.0004389700000000, -0.0019533900000000, 0.0000017200000000 ] - [ 0.0006725700000000, -0.0009426700000000, 0.0001819500000000 ] - [ 0.0002937600000000, 0.0007456200000000, 0.0004038600000000 ] - [ 0.0039708100000000, -0.0066969800000000, -0.0004803600000000 ] - [ 0.0009698100000000, -0.0026604400000000, -0.0004888900000000 ] - [ 0.0021349300000000, 0.0008145900000000, 0.0001682300000000 ] - [ 0.0010433300000000, -0.0009115400000000, 0.0009125100000000 ] - [ 0.0019025200000000, -0.0007433200000000, 0.0002300200000000 ] - [ 0.0008049800000000, -0.0015072900000000, 0.0002095100000000 ] - [ -0.0034197200000000, -0.0018526900000000, 0.0042327000000000 ] - [ -0.0058371800000000, 0.0016672000000000, -0.0014646000000000 ] - [ 0.0005401300000000, -0.0016056100000000, 0.0025453000000000 ] - [ 0.0020157400000000, 0.0018674900000000, 0.0005310500000000 ] - [ 0.0002008600000000, -0.0042743100000000, -0.0008302500000000 ] - [ -0.0009949400000000, -0.0003425100000000, -0.0001857100000000 ] - [ 0.0024454100000000, 0.0005439800000000, 0.0058278300000000 ] - [ 0.0003563100000000, 0.0006849400000000, -0.0000941400000000 ] - [ 0.0004529800000000, -0.0023025000000000, -0.0000543100000000 ] - [ 0.0001866000000000, -0.0004744600000000, 0.0001346300000000 ] - [ 0.0004759300000000, 0.0004189700000000, -0.0005148600000000 ] - [ 0.0008988600000000, 0.0004318700000000, 0.0004484900000000 ] - [ 0.0058643500000000, 0.0013177500000000, -0.0009187800000000 ] - [ 0.0021364400000000, -0.0015358800000000, -0.0002967700000000 ] - [ 0.0012653000000000, -0.0000503000000000, -0.0004847300000000 ] - [ 0.0028649200000000, 0.0007336100000000, -0.0002131600000000 ] - [ 0.0010314500000000, -0.0000665300000000, -0.0006242000000000 ] - [ 0.0007835700000000, -0.0029126600000000, 0.0001648600000000 ] - [ 0.0018691100000000, -0.0012505600000000, 0.0007795100000000 ] - [ 0.0011500200000000, 0.0001373100000000, 0.0003547200000000 ] - [ 0.0029675300000000, 0.0004400700000000, -0.0028512000000000 ] - [ 0.0010324000000000, 0.0006884500000000, -0.0002092400000000 ] - [ 0.0014693500000000, 0.0003323500000000, -0.0005057600000000 ] - [ 0.0022271700000000, 0.0005465600000000, 0.0005386700000000 ] - [ 0.0008802100000000, -0.0028758600000000, -0.0011996100000000 ] - [ -0.0011413200000000, 0.0020313000000000, -0.0009152100000000 ] - [ 0.0002902100000000, 0.0004732300000000, 0.0000513100000000 ] - [ 0.0022166700000000, -0.0020213200000000, 0.0025180700000000 ] - [ -0.0000995500000000, -0.0003003400000000, -0.0000682400000000 ] - [ -0.0586121200000000, 0.0252570300000000, -0.0158219300000000 ] - [ -0.0064563800000000, 0.0090648500000000, 0.0007097200000000 ] - [ -0.0006771400000000, -0.0030772800000000, 0.0039522400000000 ] - [ 0.0016569000000000, -0.0017039300000000, 0.0004844000000000 ] - [ 0.0013396500000000, 0.0002078200000000, 0.0008214400000000 ] - [ 0.0015037200000000, -0.0010904000000000, 0.0003944500000000 ] - [ 0.0007873700000000, 0.0002016200000000, 0.0002238900000000 ] - [ 0.0054226600000000, -0.0048066400000000, 0.0011756800000000 ] - [ 0.0007422100000000, -0.0002376100000000, -0.0004069100000000 ] - [ -0.0004126900000000, -0.0029830300000000, -0.0000018800000000 ] - [ 0.0005126500000000, 0.0006413200000000, -0.0000281800000000 ] - [ 0.0003758400000000, -0.0003537000000000, 0.0000952200000000 ] - [ 0.0009258600000000, -0.0016523700000000, -0.0006558500000000 ] - [ 0.0000195900000000, -0.0010438800000000, 0.0004373600000000 ] - [ 0.0036137600000000, 0.0008098300000000, -0.0031819400000000 ] - [ 0.0002298200000000, -0.0008957700000000, -0.0001342300000000 ] - [ -0.0001089000000000, -0.0008533000000000, -0.0005381500000000 ] - [ -0.0022335000000000, -0.0010877400000000, 0.0005510700000000 ] - [ 0.0023597500000000, -0.0076101400000000, -0.0002171400000000 ] - [ -0.0008411700000000, 0.0004067000000000, 0.0002117600000000 ] - [ -0.0007437900000000, -0.0007443600000000, -0.0003273100000000 ] - [ -0.0000027500000000, -0.0038646600000000, 0.0005585200000000 ] - [ -0.0005041000000000, -0.0004541900000000, 0.0000903400000000 ] - [ -0.0026490800000000, -0.0022353400000000, -0.0043597200000000 ] - [ -0.0184141500000000, 0.0336512600000000, 0.0159356600000000 ] - [ -0.0026280100000000, -0.0053951200000000, -0.0010384500000000 ] - [ -0.0025137700000000, 0.0014062800000000, 0.0048187800000000 ] - [ -0.0008135800000000, 0.0002981000000000, -0.0000161700000000 ] - [ -0.0011611900000000, 0.0045403500000000, 0.0013342500000000 ] - [ -0.0045443700000000, -0.0020306500000000, 0.0009416300000000 ] - [ -0.0102379200000000, 0.0061572200000000, -0.0045597200000000 ] - [ -0.0003863000000000, -0.0004214900000000, -0.0000375600000000 ] - [ -0.0000569400000000, -0.0002945700000000, 0.0000707800000000 ]- atom: 22 displacement: [ 0.0050000000104457, -0.0086602540318135, 0.0000000000000000 ] forces: - [ 0.0001478800000000, 0.0031347900000000, 0.0060333600000000 ] - [ -0.0015790300000000, 0.0003374300000000, -0.0007935900000000 ] - [ -0.0019768600000000, 0.0033857900000000, 0.0013440600000000 ] - [ -0.0011161800000000, -0.0014168200000000, -0.0056718700000000 ] - [ -0.0001648500000000, -0.0016633000000000, -0.0004322600000000 ] - [ 0.0021320500000000, 0.0008211700000000, -0.0013517900000000 ] - [ 0.0012137100000000, -0.0022419700000000, -0.0007528600000000 ] - [ -0.0014186800000000, -0.0011322900000000, 0.0002146200000000 ] - [ 0.0021087000000000, 0.0055555300000000, -0.0002985400000000 ] - [ 0.0011135600000000, -0.0025224200000000, -0.0002277700000000 ] - [ 0.0016885200000000, 0.0000232900000000, 0.0002095900000000 ] - [ 0.0020607300000000, -0.0000069600000000, 0.0001200900000000 ] - [ 0.0087808400000000, -0.0085144900000000, -0.0004629600000000 ] - [ 0.0024136600000000, 0.0062496400000000, -0.0008536300000000 ] - [ 0.0013918000000000, -0.0010486800000000, 0.0006632900000000 ] - [ 0.0012942400000000, -0.0020083600000000, -0.0005622700000000 ] - [ 0.0001253500000000, 0.0002773300000000, -0.0001956000000000 ] - [ -0.0002422600000000, -0.0016722700000000, -0.0002025500000000 ] - [ -0.0013679600000000, 0.0013425900000000, -0.0057892600000000 ] - [ -0.0010724600000000, -0.0007223000000000, 0.0004909700000000 ] - [ -0.0011522200000000, 0.0010018700000000, -0.0009447200000000 ] - [ -0.1253679800000000, 0.1816252300000000, 0.0094607400000000 ] - [ -0.0143544800000000, -0.0257394300000000, 0.0047188000000000 ] - [ -0.0074875700000000, 0.0106894700000000, 0.0016003900000000 ] - [ 0.0295441400000000, -0.0312847600000000, 0.0057700500000000 ] - [ 0.0028307100000000, 0.0055822800000000, 0.0142688900000000 ] - [ -0.0005980700000000, -0.0067669700000000, 0.0047242200000000 ] - [ 0.0006740600000000, -0.0032947600000000, 0.0005362400000000 ] - [ 0.0055273500000000, 0.0016579600000000, 0.0012414000000000 ] - [ 0.0015783000000000, 0.0024106700000000, 0.0006349900000000 ] - [ 0.0063899600000000, 0.0044964400000000, -0.0051458300000000 ] - [ 0.0066153300000000, -0.0049871200000000, 0.0026633800000000 ] - [ 0.0043863500000000, 0.0024889100000000, 0.0016089800000000 ] - [ 0.0016157800000000, -0.0027521900000000, 0.0000756400000000 ] - [ 0.0022830100000000, -0.0086930700000000, 0.0072224100000000 ] - [ 0.0065326100000000, -0.0130802100000000, 0.0011183300000000 ] - [ -0.0041955600000000, -0.0031751400000000, 0.0020852400000000 ] - [ -0.0047470600000000, -0.0056130600000000, 0.0011110300000000 ] - [ -0.0275709900000000, -0.0291864900000000, 0.0026657800000000 ] - [ -0.0008479800000000, -0.0009258400000000, 0.0006735000000000 ] - [ -0.0012801500000000, -0.0014215400000000, -0.0008097500000000 ] - [ -0.0000191200000000, 0.0061908000000000, -0.0060137600000000 ] - [ 0.0049360700000000, 0.0008122400000000, 0.0001498300000000 ] - [ 0.0005426500000000, -0.0001125400000000, -0.0008349100000000 ] - [ 0.0008215500000000, -0.0031092600000000, 0.0000302800000000 ] - [ 0.0007117900000000, 0.0012037100000000, 0.0003807800000000 ] - [ -0.0024561500000000, -0.0212359800000000, -0.0054118300000000 ] - [ -0.0006742800000000, -0.0176896100000000, 0.0013509000000000 ] - [ 0.0077321900000000, -0.0112086700000000, -0.0059818300000000 ] - [ 0.0017625200000000, -0.0014082300000000, 0.0001127700000000 ] - [ 0.0014531500000000, 0.0021417300000000, 0.0027229500000000 ] - [ 0.0015574500000000, 0.0012950300000000, -0.0001781300000000 ] - [ 0.0260808600000000, -0.0199751900000000, -0.0088967700000000 ] - [ 0.0029612700000000, -0.0013190700000000, -0.0009803300000000 ] - [ 0.0012500100000000, 0.0060161100000000, -0.0002483500000000 ] - [ 0.0016890800000000, -0.0008976000000000, -0.0008429500000000 ] - [ -0.0006273100000000, -0.0018429400000000, 0.0004993000000000 ] - [ -0.0003344000000000, -0.0014574300000000, -0.0003139900000000 ] - [ 0.0016237900000000, 0.0013943500000000, -0.0052777200000000 ] - [ -0.0021876300000000, 0.0027889700000000, 0.0041845500000000 ] - [ -0.0001474600000000, 0.0013683200000000, -0.0001622800000000 ] - [ 0.0009312900000000, 0.0022369000000000, -0.0000871400000000 ] - [ -0.0001041100000000, 0.0010140200000000, -0.0010201100000000 ] - [ -0.0003528800000000, -0.0007542800000000, -0.0007069500000000 ] - [ -0.0040597600000000, 0.0059795200000000, 0.0004208400000000 ] - [ -0.0006414900000000, 0.0026591900000000, 0.0005087200000000 ] - [ -0.0026125400000000, -0.0005356100000000, -0.0002551500000000 ] - [ -0.0010105300000000, 0.0009709400000000, -0.0012114800000000 ] - [ -0.0019031500000000, 0.0009238600000000, -0.0001174200000000 ] - [ -0.0007647700000000, 0.0012243300000000, -0.0002197600000000 ] - [ 0.0035067100000000, 0.0018861200000000, -0.0045556600000000 ] - [ 0.0056422200000000, -0.0018997600000000, 0.0016508800000000 ] - [ -0.0002656900000000, 0.0017298200000000, -0.0024591800000000 ] - [ -0.0025849100000000, -0.0014318500000000, -0.0007072500000000 ] - [ -0.0003279900000000, 0.0042288700000000, 0.0010362400000000 ] - [ 0.0009967700000000, -0.0002252700000000, -0.0000675500000000 ] - [ -0.0026956800000000, -0.0003903500000000, -0.0057984500000000 ] - [ -0.0004563600000000, -0.0005400600000000, -0.0000044300000000 ] - [ 0.0002261200000000, 0.0025941300000000, -0.0001268900000000 ] - [ -0.0001991800000000, 0.0008986100000000, 0.0002272500000000 ] - [ -0.0000644100000000, -0.0004892000000000, -0.0003714300000000 ] - [ -0.0012563800000000, -0.0006654300000000, -0.0000879000000000 ] - [ -0.0057905300000000, -0.0014223500000000, 0.0011301200000000 ] - [ -0.0019573500000000, 0.0015604000000000, 0.0001976900000000 ] - [ -0.0016005000000000, 0.0004909600000000, -0.0004114800000000 ] - [ -0.0029342600000000, -0.0008939800000000, 0.0001150500000000 ] - [ -0.0012403800000000, -0.0004479100000000, -0.0002734400000000 ] - [ -0.0009129400000000, 0.0031922500000000, 0.0000126200000000 ] - [ -0.0021268200000000, 0.0009349000000000, -0.0016517800000000 ] - [ -0.0011485300000000, -0.0001329100000000, 0.0000499600000000 ] - [ -0.0025820900000000, -0.0006227900000000, 0.0032001800000000 ] - [ -0.0011765100000000, -0.0002985900000000, -0.0006768800000000 ] - [ -0.0009828700000000, -0.0000535000000000, 0.0002553700000000 ] - [ -0.0016771300000000, -0.0004549800000000, -0.0014329600000000 ] - [ -0.0009069400000000, 0.0027765700000000, 0.0008806700000000 ] - [ 0.0010266100000000, -0.0027511200000000, 0.0007448800000000 ] - [ 0.0000211800000000, -0.0005092300000000, 0.0001283500000000 ] - [ -0.0027014400000000, 0.0023051900000000, -0.0027534600000000 ] - [ 0.0000305400000000, 0.0003690400000000, -0.0002582400000000 ] - [ 0.0563903500000000, -0.0249010900000000, 0.0152303800000000 ] - [ 0.0064966900000000, -0.0094188400000000, -0.0006643800000000 ] - [ 0.0007546400000000, 0.0030794600000000, -0.0040772600000000 ] - [ -0.0018912600000000, 0.0014963500000000, -0.0004651800000000 ] - [ -0.0010774300000000, -0.0000829600000000, -0.0009589800000000 ] - [ -0.0020950100000000, 0.0015245100000000, -0.0006466400000000 ] - [ -0.0009149200000000, -0.0002442800000000, -0.0002258600000000 ] - [ -0.0054437700000000, 0.0042429800000000, -0.0012202600000000 ] - [ -0.0009858300000000, 0.0004142700000000, 0.0002718700000000 ] - [ 0.0003054500000000, 0.0031225100000000, -0.0002519700000000 ] - [ 0.0001545900000000, -0.0003483300000000, -0.0002254100000000 ] - [ -0.0003938700000000, 0.0007767400000000, 0.0001817100000000 ] - [ -0.0005103400000000, 0.0016053200000000, -0.0000415100000000 ] - [ -0.0003831700000000, 0.0008148900000000, -0.0001605400000000 ] - [ -0.0035002100000000, -0.0008859100000000, 0.0031574800000000 ] - [ -0.0000554300000000, 0.0009196000000000, -0.0001188900000000 ] - [ -0.0002085700000000, 0.0012811800000000, -0.0002477200000000 ] - [ 0.0021520200000000, 0.0009258100000000, -0.0008017900000000 ] - [ -0.0025987300000000, 0.0071118300000000, -0.0005692400000000 ] - [ 0.0007582500000000, -0.0001184300000000, -0.0001878100000000 ] - [ 0.0004901000000000, 0.0004056300000000, -0.0003642800000000 ] - [ -0.0000066800000000, 0.0038605400000000, -0.0000741800000000 ] - [ 0.0008812400000000, 0.0002591100000000, 0.0001835300000000 ] - [ 0.0024696700000000, 0.0026161100000000, 0.0036644600000000 ] - [ 0.0186694600000000, -0.0312051000000000, -0.0149502500000000 ] - [ 0.0031483000000000, 0.0054445600000000, 0.0002514300000000 ] - [ 0.0024782400000000, -0.0014967400000000, -0.0049380500000000 ] - [ 0.0007385300000000, -0.0010261200000000, -0.0002361400000000 ] - [ 0.0014624500000000, -0.0046280800000000, -0.0013076400000000 ] - [ 0.0040529000000000, 0.0023187700000000, -0.0009797100000000 ] - [ 0.0102788900000000, -0.0060383300000000, 0.0045951100000000 ] - [ 0.0004183400000000, 0.0005466600000000, 0.0000382300000000 ] - [ 0.0000374600000000, 0.0000062300000000, -0.0002136300000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0088680300000000, -0.0013263700000000, 0.0086468900000000 ] - [ 0.0006542600000000, 0.0006592200000000, 0.0010234800000000 ] - [ -0.0069565800000000, -0.0054766000000000, 0.0085390600000000 ] - [ -0.0021610800000000, 0.0088389600000000, 0.0069744600000000 ] - [ 0.0000506200000000, 0.0003033100000000, 0.0005741800000000 ] - [ -0.0011340400000000, 0.0004090200000000, 0.0011959800000000 ] - [ -0.0000573900000000, 0.0001540900000000, 0.0003255900000000 ] - [ 0.0000546400000000, 0.0000447300000000, -0.0003444100000000 ] - [ -0.0002689700000000, 0.0002118200000000, -0.0038719700000000 ] - [ -0.0000543300000000, 0.0001601100000000, -0.0006223600000000 ] - [ 0.0000500800000000, 0.0000732300000000, -0.0002840400000000 ] - [ 0.0000378400000000, -0.0000542300000000, -0.0003675600000000 ] - [ -0.0010173200000000, -0.0007634700000000, -0.0036282300000000 ] - [ 0.0007452500000000, 0.0007731700000000, -0.0041479300000000 ] - [ 0.0003773400000000, -0.0005123400000000, 0.0002591400000000 ] - [ -0.0001297900000000, 0.0003327400000000, 0.0001837500000000 ] - [ -0.0006889900000000, -0.0003191200000000, -0.0000126700000000 ] - [ -0.0000657000000000, 0.0004002800000000, 0.0007499000000000 ] - [ -0.0011886300000000, 0.0053185000000000, 0.0079127300000000 ] - [ -0.0002126200000000, -0.0005787500000000, 0.0002557700000000 ] - [ 0.0011049300000000, 0.0013372800000000, 0.0006345300000000 ] - [ -0.0098465600000000, -0.0154443900000000, -0.2414482200000000 ] - [ 0.0026679100000000, 0.0042653700000000, -0.0096410400000000 ] - [ -0.0118312800000000, -0.0205656100000000, 0.0324945900000000 ] - [ -0.0039688900000000, 0.0034856900000000, -0.0096408900000000 ] - [ 0.0194567800000000, -0.0129710100000000, 0.0337075800000000 ] - [ 0.0009925100000000, -0.0059733400000000, 0.0030460000000000 ] - [ -0.0007297800000000, 0.0004310400000000, 0.0009953700000000 ] - [ 0.0034275300000000, -0.0005061700000000, 0.0015221000000000 ] - [ -0.0016866400000000, -0.0004369200000000, 0.0021088000000000 ] - [ -0.0064587500000000, 0.0035921800000000, 0.0039793200000000 ] - [ 0.0023875900000000, -0.0017608900000000, 0.0021838800000000 ] - [ 0.0020070100000000, 0.0004566300000000, 0.0028575300000000 ] - [ -0.0007153200000000, -0.0000921400000000, 0.0010109800000000 ] - [ 0.0018475200000000, -0.0079381100000000, 0.0040225200000000 ] - [ -0.0003808800000000, 0.0011884600000000, -0.0016129300000000 ] - [ -0.0004248600000000, -0.0013144600000000, 0.0015455600000000 ] - [ 0.0006906900000000, -0.0002699500000000, -0.0013010600000000 ] - [ 0.0068625500000000, 0.0022925100000000, -0.0168525900000000 ] - [ 0.0005865300000000, 0.0003775300000000, -0.0022732300000000 ] - [ -0.0028338400000000, -0.0005432700000000, -0.0006368300000000 ] - [ 0.0006444900000000, 0.0039189300000000, 0.0022499400000000 ] - [ -0.0011560100000000, -0.0003974000000000, 0.0007105400000000 ] - [ -0.0012862700000000, 0.0043738400000000, -0.0034036800000000 ] - [ 0.0028349100000000, -0.0020892600000000, -0.0043948600000000 ] - [ -0.0002740600000000, 0.0002262700000000, 0.0003447200000000 ] - [ 0.0014890600000000, 0.0016955100000000, 0.0117359000000000 ] - [ -0.0083227400000000, -0.0013728500000000, 0.0182746900000000 ] - [ -0.0021313800000000, 0.0051489200000000, 0.0862613200000000 ] - [ -0.0010182200000000, -0.0014697300000000, -0.0109522500000000 ] - [ -0.0009920400000000, -0.0020254800000000, 0.0013435900000000 ] - [ 0.0002110500000000, 0.0001119300000000, -0.0003840900000000 ] - [ -0.0020132200000000, 0.0016581900000000, 0.0117925900000000 ] - [ -0.0006131800000000, 0.0015094600000000, -0.0070764500000000 ] - [ 0.0003216400000000, -0.0011906300000000, 0.0012621200000000 ] - [ -0.0012372800000000, 0.0028048100000000, -0.0020988900000000 ] - [ 0.0028396000000000, 0.0011703200000000, -0.0005603400000000 ] - [ 0.0015394600000000, -0.0005807200000000, -0.0108071700000000 ] - [ -0.0017271100000000, 0.0068474300000000, -0.0035160800000000 ] - [ 0.0017624700000000, -0.0013161400000000, 0.0013498800000000 ] - [ 0.0000987200000000, -0.0005687300000000, -0.0030501700000000 ] - [ 0.0004469800000000, 0.0007255000000000, -0.0003539000000000 ] - [ -0.0001747000000000, 0.0033204800000000, -0.0021333400000000 ] - [ -0.0000699700000000, -0.0007244000000000, -0.0016764400000000 ] - [ 0.0004008400000000, -0.0009107500000000, 0.0002815500000000 ] - [ 0.0000858300000000, 0.0001017900000000, 0.0000161000000000 ] - [ -0.0031006400000000, 0.0005012800000000, -0.0012103500000000 ] - [ -0.0003416900000000, 0.0002129900000000, -0.0010105100000000 ] - [ 0.0000110400000000, 0.0001205600000000, -0.0003234900000000 ] - [ 0.0000826000000000, -0.0002076500000000, 0.0002083900000000 ] - [ -0.0000318200000000, 0.0011400300000000, 0.0009907400000000 ] - [ -0.0000173900000000, -0.0002909500000000, 0.0020989000000000 ] - [ 0.0007387100000000, 0.0005246800000000, 0.0017813200000000 ] - [ -0.0048822700000000, -0.0003987000000000, -0.0008076700000000 ] - [ 0.0000233700000000, -0.0006672300000000, 0.0003023000000000 ] - [ 0.0000901000000000, -0.0001786000000000, -0.0001016500000000 ] - [ -0.0026072300000000, 0.0042493000000000, 0.0042887000000000 ] - [ -0.0003112600000000, -0.0005186800000000, -0.0001390000000000 ] - [ 0.0003600300000000, 0.0006632300000000, 0.0001151800000000 ] - [ -0.0000054400000000, 0.0001582200000000, 0.0005494300000000 ] - [ 0.0003978900000000, 0.0000349500000000, 0.0000551700000000 ] - [ -0.0004575800000000, -0.0001436800000000, 0.0010118200000000 ] - [ 0.0008818800000000, -0.0001295600000000, 0.0008794700000000 ] - [ 0.0008478300000000, -0.0008061400000000, -0.0001142800000000 ] - [ -0.0002642600000000, 0.0002732900000000, -0.0004223200000000 ] - [ 0.0004807300000000, -0.0000101600000000, -0.0000764900000000 ] - [ 0.0000758200000000, -0.0003151600000000, -0.0005080400000000 ] - [ 0.0000099800000000, 0.0000415100000000, 0.0004753600000000 ] - [ -0.0003596400000000, -0.0000098200000000, 0.0000225400000000 ] - [ -0.0001524100000000, -0.0000306700000000, -0.0002834800000000 ] - [ 0.0008701800000000, -0.0003636900000000, 0.0019867500000000 ] - [ -0.0004012000000000, 0.0001726900000000, -0.0000691200000000 ] - [ 0.0002340400000000, -0.0000577800000000, -0.0001794200000000 ] - [ -0.0010681200000000, 0.0003235100000000, -0.0008272100000000 ] - [ -0.0002248600000000, 0.0009000600000000, 0.0009356400000000 ] - [ 0.0042662200000000, -0.0011105700000000, -0.0011235800000000 ] - [ 0.0001321100000000, 0.0001005200000000, 0.0006336300000000 ] - [ -0.0017983200000000, 0.0020519900000000, -0.0007476800000000 ] - [ -0.0000615300000000, -0.0000800000000000, 0.0000437000000000 ] - [ 0.0214968700000000, -0.0048962700000000, 0.0209241700000000 ] - [ -0.0152922300000000, 0.0013565900000000, 0.0268756100000000 ] - [ -0.0006706100000000, 0.0001313300000000, 0.0016338600000000 ] - [ -0.0007689500000000, 0.0003414400000000, -0.0004666300000000 ] - [ -0.0005063300000000, 0.0001722800000000, -0.0013247700000000 ] - [ -0.0009698000000000, 0.0005820500000000, -0.0007651300000000 ] - [ -0.0002808600000000, 0.0003440900000000, 0.0001995900000000 ] - [ 0.0004845600000000, -0.0003859200000000, 0.0006356600000000 ] - [ -0.0001707900000000, -0.0007146900000000, -0.0022553300000000 ] - [ 0.0001365000000000, 0.0011180400000000, -0.0003485000000000 ] - [ 0.0002488700000000, -0.0000729600000000, -0.0006142100000000 ] - [ 0.0000362200000000, 0.0002846200000000, -0.0004482600000000 ] - [ 0.0002321500000000, -0.0001235500000000, -0.0000129400000000 ] - [ 0.0000030100000000, -0.0002861600000000, -0.0024254500000000 ] - [ 0.0024682900000000, -0.0009597700000000, -0.0007607700000000 ] - [ 0.0000176400000000, 0.0002706700000000, -0.0002723400000000 ] - [ -0.0001550900000000, 0.0002467300000000, -0.0001988800000000 ] - [ 0.0007619700000000, 0.0008378200000000, -0.0005676400000000 ] - [ 0.0000879300000000, -0.0021248800000000, 0.0005573300000000 ] - [ 0.0028494700000000, 0.0026231900000000, -0.0017981500000000 ] - [ -0.0000065000000000, -0.0000636500000000, 0.0001710000000000 ] - [ 0.0000738800000000, -0.0000207900000000, 0.0007783600000000 ] - [ 0.0001789100000000, -0.0001440700000000, -0.0008609900000000 ] - [ -0.0011439800000000, -0.0024421800000000, 0.0010451100000000 ] - [ -0.0060693400000000, 0.0083402100000000, 0.0175716800000000 ] - [ 0.0000966900000000, -0.0006430500000000, -0.0001152900000000 ] - [ 0.0003552400000000, 0.0049781500000000, 0.0045368300000000 ] - [ 0.0006557900000000, 0.0002877800000000, -0.0007689700000000 ] - [ -0.0009486500000000, -0.0029175000000000, -0.0055223900000000 ] - [ -0.0007534900000000, -0.0000353300000000, 0.0007364700000000 ] - [ 0.0123724800000000, 0.0084284600000000, 0.0209550500000000 ] - [ -0.0001691100000000, 0.0000009200000000, 0.0000559600000000 ] - [ 0.0002161100000000, 0.0001106400000000, -0.0008637800000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0090308400000000, 0.0012630600000000, -0.0084055600000000 ] - [ -0.0007201500000000, -0.0007705900000000, -0.0013402500000000 ] - [ 0.0069640700000000, 0.0056400200000000, -0.0088962800000000 ] - [ 0.0021802700000000, -0.0089204300000000, -0.0063858900000000 ] - [ 0.0000560000000000, -0.0003281600000000, -0.0003117400000000 ] - [ 0.0011088500000000, -0.0003085200000000, -0.0009259800000000 ] - [ 0.0001806700000000, -0.0001561000000000, -0.0006488200000000 ] - [ -0.0001314400000000, -0.0001240900000000, 0.0005772400000000 ] - [ 0.0001795700000000, -0.0003234500000000, 0.0035301600000000 ] - [ -0.0000068200000000, -0.0000480300000000, 0.0002907100000000 ] - [ -0.0000479900000000, -0.0000729700000000, 0.0008692200000000 ] - [ 0.0000664300000000, 0.0000298000000000, 0.0005991000000000 ] - [ 0.0010112400000000, 0.0008346600000000, 0.0038532400000000 ] - [ -0.0005837900000000, -0.0007583900000000, 0.0038022000000000 ] - [ -0.0004448500000000, 0.0004287000000000, -0.0000261500000000 ] - [ 0.0000686700000000, -0.0004371100000000, -0.0005384000000000 ] - [ 0.0006245400000000, 0.0004221300000000, -0.0003400000000000 ] - [ 0.0000673600000000, -0.0003992700000000, -0.0001507700000000 ] - [ 0.0012820900000000, -0.0052789900000000, -0.0076517000000000 ] - [ 0.0001757300000000, 0.0006747200000000, -0.0000215000000000 ] - [ -0.0009751100000000, -0.0013252100000000, -0.0009923000000000 ] - [ 0.0085644300000000, 0.0162120900000000, 0.2438715800000000 ] - [ -0.0024279700000000, -0.0054629400000000, 0.0101206000000000 ] - [ 0.0124569500000000, 0.0213659400000000, -0.0313326100000000 ] - [ 0.0049297400000000, -0.0025311200000000, 0.0101210000000000 ] - [ -0.0188019300000000, 0.0117369800000000, -0.0325454600000000 ] - [ -0.0021913300000000, 0.0060829300000000, -0.0019929700000000 ] - [ -0.0005483000000000, 0.0000574500000000, -0.0004420300000000 ] - [ -0.0031926300000000, -0.0008374000000000, -0.0009711900000000 ] - [ 0.0024512000000000, 0.0014134400000000, -0.0010583100000000 ] - [ 0.0074618000000000, -0.0027029600000000, -0.0034461200000000 ] - [ -0.0019271700000000, 0.0006242100000000, -0.0011287700000000 ] - [ -0.0032215700000000, -0.0002928400000000, -0.0018004500000000 ] - [ -0.0005486900000000, 0.0005849900000000, -0.0004259700000000 ] - [ -0.0016615200000000, 0.0066516300000000, -0.0034022600000000 ] - [ 0.0011304400000000, -0.0002391800000000, 0.0026855400000000 ] - [ 0.0014849300000000, 0.0021709700000000, -0.0009473100000000 ] - [ -0.0002178700000000, -0.0008676800000000, 0.0023656600000000 ] - [ -0.0081161800000000, -0.0022879600000000, 0.0178816500000000 ] - [ -0.0005418400000000, -0.0004316400000000, 0.0019626400000000 ] - [ 0.0026586500000000, 0.0002711900000000, 0.0006402100000000 ] - [ -0.0004430200000000, -0.0037429500000000, -0.0023126200000000 ] - [ 0.0005458800000000, 0.0008226900000000, -0.0007768900000000 ] - [ 0.0011431400000000, -0.0045217900000000, 0.0035155100000000 ] - [ -0.0027996800000000, 0.0015124200000000, 0.0043071400000000 ] - [ 0.0000065600000000, -0.0001242400000000, -0.0003686100000000 ] - [ -0.0015913000000000, -0.0015923800000000, -0.0118013200000000 ] - [ 0.0091569300000000, 0.0018645500000000, -0.0183239600000000 ] - [ 0.0023337900000000, -0.0052497900000000, -0.0912757600000000 ] - [ 0.0014719100000000, 0.0014562800000000, 0.0100538400000000 ] - [ 0.0006983000000000, 0.0018038900000000, -0.0010761000000000 ] - [ -0.0000538600000000, -0.0002071800000000, 0.0004915600000000 ] - [ 0.0022150200000000, -0.0016752100000000, -0.0118571900000000 ] - [ 0.0002463400000000, -0.0010303300000000, 0.0062242900000000 ] - [ -0.0003959800000000, 0.0009984200000000, -0.0013951700000000 ] - [ 0.0010215900000000, -0.0033168200000000, 0.0012633400000000 ] - [ -0.0030053500000000, -0.0008864000000000, 0.0005632700000000 ] - [ -0.0018138200000000, 0.0002324100000000, 0.0099099900000000 ] - [ 0.0017094600000000, -0.0067766000000000, 0.0041560200000000 ] - [ -0.0014277300000000, 0.0011681800000000, -0.0010820500000000 ] - [ -0.0002888500000000, 0.0009732000000000, 0.0021387800000000 ] - [ 0.0000443500000000, -0.0004355300000000, 0.0002699300000000 ] - [ 0.0007379500000000, -0.0032028800000000, 0.0012989300000000 ] - [ 0.0000030100000000, 0.0007126000000000, 0.0013687000000000 ] - [ -0.0004758600000000, 0.0001638500000000, -0.0003493500000000 ] - [ 0.0002406400000000, -0.0001089200000000, -0.0000033300000000 ] - [ 0.0025853600000000, -0.0002150400000000, 0.0011240300000000 ] - [ 0.0003719400000000, -0.0001537200000000, 0.0007068000000000 ] - [ -0.0000106400000000, 0.0000627100000000, 0.0004313500000000 ] - [ -0.0000330600000000, -0.0000694000000000, -0.0002339700000000 ] - [ 0.0001378300000000, -0.0011066500000000, -0.0013465200000000 ] - [ -0.0001494100000000, 0.0000369500000000, -0.0018950000000000 ] - [ -0.0004596400000000, -0.0004020900000000, -0.0016632400000000 ] - [ 0.0042676300000000, 0.0008319700000000, 0.0006366100000000 ] - [ -0.0001521600000000, 0.0006054400000000, -0.0001021900000000 ] - [ -0.0000892200000000, -0.0003936800000000, -0.0001570100000000 ] - [ 0.0023506400000000, -0.0040426500000000, -0.0041454100000000 ] - [ 0.0002066900000000, 0.0006554400000000, 0.0000403300000000 ] - [ 0.0003139800000000, -0.0003699600000000, -0.0002892100000000 ] - [ -0.0000096400000000, 0.0002628600000000, -0.0001797100000000 ] - [ 0.0000131500000000, -0.0001063300000000, -0.0009491200000000 ] - [ 0.0000998900000000, -0.0000870900000000, -0.0006367100000000 ] - [ -0.0007592700000000, 0.0000389400000000, -0.0006787200000000 ] - [ -0.0006649400000000, 0.0008209700000000, 0.0000179700000000 ] - [ -0.0000799400000000, 0.0001629900000000, -0.0004775200000000 ] - [ -0.0005463200000000, -0.0001513200000000, -0.0000195900000000 ] - [ -0.0002858500000000, -0.0001972200000000, -0.0003932600000000 ] - [ -0.0001416600000000, 0.0002512400000000, -0.0002918900000000 ] - [ 0.0000862100000000, -0.0003056700000000, -0.0009157200000000 ] - [ 0.0001510700000000, 0.0000310300000000, 0.0006855000000000 ] - [ -0.0004987100000000, 0.0001684300000000, -0.0015944900000000 ] - [ 0.0002571500000000, 0.0002174100000000, -0.0008255700000000 ] - [ 0.0002573900000000, 0.0003422800000000, -0.0000764600000000 ] - [ 0.0016180700000000, -0.0002424100000000, -0.0000771100000000 ] - [ 0.0002016300000000, -0.0010015500000000, -0.0012762400000000 ] - [ -0.0043292500000000, 0.0003744700000000, 0.0009525300000000 ] - [ 0.0001804800000000, -0.0001298700000000, -0.0004467200000000 ] - [ 0.0013138500000000, -0.0017684300000000, 0.0004798500000000 ] - [ -0.0000063600000000, 0.0001518900000000, -0.0003762100000000 ] - [ -0.0217666900000000, 0.0050975100000000, -0.0206138100000000 ] - [ 0.0139845100000000, -0.0021390000000000, -0.0250688300000000 ] - [ 0.0007279700000000, -0.0001482000000000, -0.0017030000000000 ] - [ 0.0005244100000000, -0.0005426800000000, 0.0004869900000000 ] - [ 0.0007666600000000, -0.0000461100000000, 0.0011820200000000 ] - [ 0.0003804000000000, -0.0001493300000000, 0.0005084000000000 ] - [ 0.0001535000000000, -0.0003771400000000, -0.0001943900000000 ] - [ -0.0004752400000000, -0.0001899600000000, -0.0006636400000000 ] - [ -0.0000641700000000, 0.0008774000000000, 0.0021095400000000 ] - [ -0.0002420700000000, -0.0009810400000000, 0.0000896200000000 ] - [ 0.0004267400000000, 0.0003717800000000, 0.0003555700000000 ] - [ -0.0000513600000000, 0.0001406800000000, 0.0007228000000000 ] - [ 0.0001846300000000, 0.0000794700000000, -0.0006692500000000 ] - [ -0.0003611200000000, 0.0000438400000000, 0.0026989700000000 ] - [ -0.0023646700000000, 0.0008569500000000, 0.0007717100000000 ] - [ 0.0001616300000000, -0.0002484200000000, 0.0000149800000000 ] - [ -0.0001505900000000, 0.0001873900000000, -0.0005841200000000 ] - [ -0.0008385900000000, -0.0010096900000000, 0.0003065300000000 ] - [ -0.0003234800000000, 0.0016672300000000, -0.0013394100000000 ] - [ -0.0028928000000000, -0.0022993300000000, 0.0018145300000000 ] - [ -0.0002439600000000, -0.0002706400000000, -0.0008508600000000 ] - [ -0.0000763700000000, 0.0000327700000000, -0.0002990200000000 ] - [ 0.0001995600000000, -0.0000542100000000, 0.0011334400000000 ] - [ 0.0009772200000000, 0.0028168800000000, -0.0016931300000000 ] - [ 0.0065408400000000, -0.0076812000000000, -0.0175642100000000 ] - [ 0.0004389700000000, 0.0007144300000000, -0.0006646000000000 ] - [ -0.0003971200000000, -0.0050029100000000, -0.0045766000000000 ] - [ -0.0007420100000000, -0.0010326000000000, 0.0005105500000000 ] - [ 0.0012257300000000, 0.0028169200000000, 0.0055394900000000 ] - [ 0.0002506200000000, 0.0003192300000000, -0.0007644200000000 ] - [ -0.0111537800000000, -0.0082400800000000, -0.0196748800000000 ] - [ 0.0001987000000000, 0.0001225500000000, -0.0000519000000000 ] - [ -0.0002400000000000, -0.0004018500000000, 0.0007226600000000 ]- atom: 24 displacement: [ 0.0100000000000000, 0.0000000000065404, 0.0000000000000000 ] forces: - [ -0.0037255800000000, -0.0008982600000000, -0.0018277800000000 ] - [ -0.0019989500000000, 0.0022275200000000, -0.0069312600000000 ] - [ 0.0004954000000000, 0.0024078900000000, 0.0016736500000000 ] - [ -0.0004587700000000, -0.0014953200000000, 0.0054935800000000 ] - [ -0.0010710000000000, -0.0011207500000000, 0.0009091700000000 ] - [ 0.0025614100000000, 0.0000492000000000, 0.0008702800000000 ] - [ 0.0012826100000000, -0.0011106600000000, 0.0005438000000000 ] - [ -0.0001572400000000, 0.0003860000000000, 0.0000938000000000 ] - [ 0.0014070200000000, 0.0007665100000000, -0.0008065000000000 ] - [ -0.0000199300000000, -0.0011857600000000, -0.0006222000000000 ] - [ 0.0013999500000000, -0.0009588800000000, 0.0007373400000000 ] - [ 0.0023761900000000, 0.0000781700000000, 0.0003840900000000 ] - [ -0.0013040600000000, -0.0006177700000000, 0.0008064300000000 ] - [ -0.0009112400000000, -0.0007260800000000, 0.0049138800000000 ] - [ 0.0029608400000000, -0.0005305500000000, 0.0001626600000000 ] - [ 0.0003732200000000, -0.0018944700000000, -0.0002834400000000 ] - [ 0.0113564300000000, 0.0026714200000000, 0.0009803000000000 ] - [ 0.0008882400000000, 0.0014457100000000, 0.0003589300000000 ] - [ -0.0039326400000000, 0.0046444500000000, -0.0001650000000000 ] - [ -0.0041964400000000, 0.0063169200000000, 0.0007178300000000 ] - [ 0.0010471600000000, 0.0019540900000000, -0.0002573800000000 ] - [ -0.0070566700000000, 0.0056655600000000, -0.0118693100000000 ] - [ -0.0142441200000000, 0.0000106900000000, 0.0014375700000000 ] - [ -0.1920133200000000, -0.0291348400000000, -0.0052052500000000 ] - [ 0.0064699700000000, -0.0031069400000000, -0.0057751300000000 ] - [ 0.0436554200000000, 0.0106500500000000, -0.0027988300000000 ] - [ 0.0114968100000000, -0.0291310900000000, 0.0004743700000000 ] - [ 0.0003149100000000, -0.0062903800000000, -0.0004731500000000 ] - [ 0.0147892200000000, -0.0012025200000000, -0.0002040300000000 ] - [ 0.0043148400000000, 0.0009596400000000, 0.0008874100000000 ] - [ 0.0123899500000000, -0.0370130700000000, -0.0014523600000000 ] - [ 0.0014112700000000, -0.0064901700000000, -0.0012422500000000 ] - [ 0.0079102300000000, -0.0027803600000000, -0.0051895500000000 ] - [ 0.0070474200000000, 0.0032754500000000, -0.0017748900000000 ] - [ -0.0013084200000000, 0.0008487100000000, 0.0002394900000000 ] - [ 0.0043080100000000, 0.0000551700000000, 0.0001919500000000 ] - [ 0.0009423900000000, 0.0060363700000000, -0.0006956700000000 ] - [ 0.0013455200000000, 0.0065754000000000, 0.0055119500000000 ] - [ -0.0000389000000000, 0.0056490700000000, -0.0003852900000000 ] - [ -0.0048114900000000, 0.0024552800000000, 0.0053045600000000 ] - [ -0.0005928500000000, 0.0007107800000000, 0.0008515300000000 ] - [ 0.0005396200000000, -0.0004859900000000, 0.0003954200000000 ] - [ 0.0020462500000000, -0.0008008200000000, -0.0000315400000000 ] - [ 0.0016596400000000, -0.0015838800000000, -0.0005737400000000 ] - [ 0.0130881300000000, -0.0053092700000000, -0.0012678600000000 ] - [ 0.0001930600000000, -0.0011586400000000, -0.0007974500000000 ] - [ 0.0028640500000000, 0.0029389800000000, 0.0005857000000000 ] - [ -0.0001275000000000, -0.0020110800000000, 0.0001911400000000 ] - [ 0.0011634400000000, -0.0004046500000000, -0.0000355300000000 ] - [ 0.0149284100000000, 0.0010021300000000, -0.0004087800000000 ] - [ 0.0019659200000000, 0.0003496600000000, -0.0005260100000000 ] - [ 0.0005712900000000, -0.0022028900000000, 0.0010038800000000 ] - [ -0.0002693200000000, 0.0001634100000000, 0.0011162200000000 ] - [ 0.0224282000000000, 0.0183931700000000, 0.0126007500000000 ] - [ 0.0023994300000000, 0.0011177700000000, 0.0008018000000000 ] - [ 0.0143125700000000, -0.0122058800000000, 0.0057188500000000 ] - [ -0.0019035200000000, -0.0010822500000000, 0.0001439700000000 ] - [ -0.0038203200000000, -0.0007181700000000, -0.0053764000000000 ] - [ -0.0002880600000000, 0.0049984600000000, 0.0010510100000000 ] - [ -0.0006653500000000, 0.0004239400000000, 0.0000181900000000 ] - [ -0.0007960400000000, 0.0024366600000000, -0.0036710000000000 ] - [ 0.0025208600000000, 0.0051148100000000, -0.0000254900000000 ] - [ -0.0039006300000000, 0.0037315000000000, -0.0018430400000000 ] - [ -0.0013966200000000, -0.0002016500000000, -0.0003128700000000 ] - [ -0.0015005200000000, 0.0014218800000000, 0.0001651300000000 ] - [ -0.0000652600000000, 0.0019611500000000, 0.0002146200000000 ] - [ -0.0078238500000000, -0.0005346900000000, -0.0002373800000000 ] - [ -0.0006148300000000, 0.0013127000000000, -0.0006964100000000 ] - [ -0.0029909500000000, 0.0006902100000000, -0.0006131300000000 ] - [ -0.0013103300000000, -0.0005919000000000, 0.0010685400000000 ] - [ -0.0004478900000000, -0.0010197800000000, 0.0006293100000000 ] - [ -0.0001175700000000, -0.0011637000000000, 0.0004170100000000 ] - [ 0.0044289300000000, 0.0017922100000000, 0.0052813400000000 ] - [ -0.0068801700000000, -0.0020159700000000, 0.0008503500000000 ] - [ 0.0007271300000000, -0.0001980000000000, 0.0001778700000000 ] - [ 0.0003757900000000, -0.0007592500000000, -0.0000489200000000 ] - [ -0.0038372900000000, 0.0022266400000000, 0.0047122800000000 ] - [ -0.0009378100000000, 0.0004670300000000, 0.0000221200000000 ] - [ 0.0008117400000000, 0.0047108600000000, 0.0006982000000000 ] - [ -0.0001044300000000, 0.0009920400000000, 0.0004351000000000 ] - [ -0.0004479000000000, -0.0001406100000000, -0.0004302600000000 ] - [ -0.0018352000000000, 0.0000039600000000, 0.0002598800000000 ] - [ -0.0020074900000000, -0.0008249800000000, 0.0006605600000000 ] - [ -0.0041884000000000, 0.0053642000000000, -0.0003929500000000 ] - [ -0.0009335400000000, 0.0005792000000000, -0.0003883800000000 ] - [ -0.0074011500000000, 0.0002872200000000, 0.0000011600000000 ] - [ -0.0025331100000000, 0.0010038600000000, -0.0002723700000000 ] - [ -0.0003939900000000, 0.0007316600000000, 0.0001220800000000 ] - [ -0.0001385800000000, 0.0006265600000000, -0.0004211100000000 ] - [ -0.0013923900000000, 0.0014057900000000, 0.0006604400000000 ] - [ -0.0008248400000000, 0.0031898900000000, -0.0038302700000000 ] - [ -0.0010712600000000, 0.0004820700000000, -0.0002878900000000 ] - [ -0.0016628000000000, -0.0004582000000000, 0.0003334400000000 ] - [ 0.0004304900000000, 0.0020124900000000, -0.0000773300000000 ] - [ -0.0001288100000000, 0.0000706800000000, -0.0000635100000000 ] - [ 0.0191443600000000, 0.0078126400000000, 0.0070397600000000 ] - [ -0.0011684800000000, -0.0032921800000000, -0.0028765900000000 ] - [ 0.0007271300000000, 0.0006971300000000, -0.0000503800000000 ] - [ -0.0009038700000000, -0.0004507400000000, -0.0005502200000000 ] - [ 0.0046407600000000, -0.0005468500000000, 0.0012876400000000 ] - [ 0.0094679400000000, 0.0031015900000000, -0.0023339900000000 ] - [ -0.0024602500000000, 0.0012493300000000, 0.0029820000000000 ] - [ -0.0041639000000000, 0.0023239500000000, -0.0009734300000000 ] - [ -0.0028025100000000, 0.0006003500000000, -0.0013731500000000 ] - [ 0.0001358200000000, 0.0011817000000000, -0.0001631900000000 ] - [ -0.0032686100000000, 0.0011464900000000, 0.0001719500000000 ] - [ -0.0024189700000000, 0.0009665700000000, 0.0000354000000000 ] - [ -0.0004541600000000, 0.0040821200000000, 0.0044309900000000 ] - [ -0.0009002800000000, -0.0012139100000000, -0.0001108400000000 ] - [ -0.0031923500000000, -0.0008342000000000, 0.0024734200000000 ] - [ -0.0020643100000000, -0.0007897900000000, 0.0012276900000000 ] - [ -0.0005587900000000, 0.0002112100000000, -0.0002417200000000 ] - [ 0.0000637700000000, -0.0005081400000000, 0.0000777500000000 ] - [ 0.0042901700000000, 0.0044190900000000, -0.0017344300000000 ] - [ -0.0001645600000000, -0.0014669400000000, 0.0004250000000000 ] - [ -0.0026086000000000, -0.0007545500000000, -0.0007488300000000 ] - [ -0.0005956000000000, -0.0009565800000000, -0.0001696700000000 ] - [ 0.0001998400000000, -0.0006753700000000, -0.0003916500000000 ] - [ 0.0508565700000000, 0.0295928200000000, -0.0136611900000000 ] - [ -0.0013912300000000, -0.0028919700000000, -0.0034597400000000 ] - [ -0.0008049800000000, -0.0012155100000000, 0.0002484700000000 ] - [ 0.0000281400000000, -0.0013984300000000, 0.0004003800000000 ] - [ -0.0001498600000000, -0.0010533800000000, 0.0001239800000000 ] - [ 0.0007457500000000, -0.0023952800000000, 0.0004152000000000 ] - [ -0.0003156400000000, -0.0026548900000000, -0.0005899800000000 ] - [ 0.0124021800000000, 0.0020680100000000, 0.0012643400000000 ] - [ -0.0004203000000000, -0.0017409100000000, -0.0005727100000000 ] - [ -0.0018529600000000, -0.0066312800000000, -0.0009966800000000 ] - [ 0.0018227100000000, -0.0003917400000000, -0.0010516700000000 ] - [ 0.0002716500000000, -0.0033654900000000, 0.0063428700000000 ] - [ 0.0005608500000000, -0.0005640300000000, 0.0000328800000000 ] - [ -0.0000974500000000, 0.0000564600000000, -0.0002216400000000 ]- atom: 24 displacement: [ -0.0100000000000000, -0.0000000000065404, 0.0000000000000000 ] forces: - [ 0.0036669900000000, 0.0007821500000000, 0.0020561100000000 ] - [ 0.0019807200000000, -0.0023218300000000, 0.0066157100000000 ] - [ -0.0005594800000000, -0.0022976700000000, -0.0019917900000000 ] - [ 0.0004170600000000, 0.0014886600000000, -0.0048789200000000 ] - [ 0.0011752100000000, 0.0011067000000000, -0.0006525200000000 ] - [ -0.0025936300000000, 0.0000547000000000, -0.0006057200000000 ] - [ -0.0011639800000000, 0.0011055600000000, -0.0008714100000000 ] - [ 0.0000859700000000, -0.0004598200000000, 0.0001397700000000 ] - [ -0.0014707000000000, -0.0008725800000000, 0.0004712300000000 ] - [ -0.0000463200000000, 0.0012955200000000, 0.0002905700000000 ] - [ -0.0013988800000000, 0.0009635900000000, -0.0001515400000000 ] - [ -0.0022708100000000, -0.0001016300000000, -0.0001549200000000 ] - [ 0.0012740200000000, 0.0007151400000000, -0.0005712900000000 ] - [ 0.0010626900000000, 0.0007251200000000, -0.0052695000000000 ] - [ -0.0030295200000000, 0.0004435800000000, 0.0000740500000000 ] - [ -0.0004336000000000, 0.0017830800000000, -0.0000658900000000 ] - [ -0.0114972700000000, -0.0025967400000000, -0.0013347700000000 ] - [ -0.0008877200000000, -0.0014515200000000, 0.0002472300000000 ] - [ 0.0040060500000000, -0.0046688300000000, 0.0003978900000000 ] - [ 0.0041892400000000, -0.0062083000000000, -0.0004835000000000 ] - [ -0.0009213700000000, -0.0019448700000000, -0.0000937200000000 ] - [ 0.0056553600000000, -0.0051967500000000, 0.0124194300000000 ] - [ 0.0143796100000000, -0.0012684100000000, -0.0008299900000000 ] - [ 0.1935595200000000, 0.0305726200000000, 0.0058752900000000 ] - [ -0.0054229400000000, 0.0039400000000000, 0.0062593100000000 ] - [ -0.0428934100000000, -0.0116842300000000, 0.0038627200000000 ] - [ -0.0127881800000000, 0.0291498500000000, 0.0006450000000000 ] - [ -0.0015943000000000, 0.0068025900000000, 0.0010380300000000 ] - [ -0.0145705300000000, -0.0001201400000000, 0.0007667600000000 ] - [ -0.0035556300000000, 0.0000280800000000, 0.0001523800000000 ] - [ -0.0112562700000000, 0.0380954000000000, 0.0020696800000000 ] - [ -0.0009325300000000, 0.0053504600000000, 0.0022756400000000 ] - [ -0.0091045000000000, 0.0029554500000000, 0.0062661800000000 ] - [ -0.0083110700000000, -0.0027965600000000, 0.0023642900000000 ] - [ 0.0015039400000000, -0.0022134800000000, 0.0003321400000000 ] - [ -0.0035629100000000, 0.0008886000000000, 0.0008759300000000 ] - [ 0.0001292800000000, -0.0051750400000000, 0.0012705800000000 ] - [ -0.0008366000000000, -0.0077237500000000, -0.0044658800000000 ] - [ -0.0011762200000000, -0.0054958000000000, 0.0014526800000000 ] - [ 0.0048651600000000, -0.0025504500000000, -0.0056380400000000 ] - [ 0.0003835100000000, -0.0009802800000000, -0.0008413400000000 ] - [ -0.0003206200000000, 0.0006699500000000, -0.0004121000000000 ] - [ -0.0026680400000000, 0.0012281400000000, -0.0000356500000000 ] - [ -0.0018143800000000, 0.0015046100000000, 0.0006861400000000 ] - [ -0.0131783300000000, 0.0049545000000000, 0.0011712300000000 ] - [ -0.0004661600000000, 0.0012601300000000, 0.0007816300000000 ] - [ -0.0029487200000000, -0.0027778400000000, -0.0007278800000000 ] - [ 0.0008141000000000, 0.0023193400000000, -0.0002569600000000 ] - [ -0.0011882300000000, 0.0007770700000000, 0.0003359500000000 ] - [ -0.0144942300000000, -0.0010478700000000, -0.0007596000000000 ] - [ -0.0022614900000000, -0.0005795000000000, 0.0008260900000000 ] - [ -0.0004231600000000, 0.0020955200000000, -0.0008919600000000 ] - [ 0.0004759600000000, -0.0001595400000000, -0.0012361000000000 ] - [ -0.0213761900000000, -0.0168253700000000, -0.0128689000000000 ] - [ -0.0024488800000000, -0.0012792000000000, -0.0009255400000000 ] - [ -0.0143953900000000, 0.0112381900000000, -0.0064707300000000 ] - [ 0.0017468400000000, 0.0013657300000000, -0.0001318100000000 ] - [ 0.0035615300000000, 0.0003575100000000, 0.0044346400000000 ] - [ 0.0011125300000000, -0.0051636800000000, -0.0006439400000000 ] - [ 0.0010117500000000, -0.0005697700000000, 0.0002849800000000 ] - [ 0.0006242300000000, -0.0020428800000000, 0.0027527500000000 ] - [ -0.0020213500000000, -0.0048443400000000, -0.0000631100000000 ] - [ 0.0044511200000000, -0.0035991100000000, 0.0010066700000000 ] - [ 0.0013317900000000, 0.0001845400000000, 0.0000014500000000 ] - [ 0.0014214900000000, -0.0021530500000000, -0.0002271400000000 ] - [ 0.0003929000000000, -0.0019664100000000, -0.0001988000000000 ] - [ 0.0073090600000000, 0.0008194100000000, 0.0001477400000000 ] - [ 0.0006439600000000, -0.0012535200000000, 0.0003930500000000 ] - [ 0.0029917200000000, -0.0005041700000000, 0.0007206500000000 ] - [ 0.0013585700000000, 0.0003162000000000, -0.0010895700000000 ] - [ 0.0005425100000000, 0.0010401200000000, -0.0009574200000000 ] - [ -0.0000688000000000, 0.0009045000000000, -0.0002319300000000 ] - [ -0.0041278700000000, -0.0016715300000000, -0.0051726200000000 ] - [ 0.0062714300000000, 0.0024409100000000, -0.0010188400000000 ] - [ -0.0008544100000000, 0.0001289700000000, 0.0000245000000000 ] - [ -0.0003756300000000, 0.0001837400000000, -0.0002065000000000 ] - [ 0.0035840600000000, -0.0020369700000000, -0.0045933900000000 ] - [ 0.0008309800000000, -0.0003403200000000, -0.0001192600000000 ] - [ -0.0001342300000000, -0.0044168200000000, -0.0008739700000000 ] - [ 0.0000893000000000, -0.0005713800000000, -0.0000695500000000 ] - [ 0.0008554100000000, 0.0000669500000000, -0.0004576300000000 ] - [ 0.0014744100000000, -0.0002381300000000, 0.0001106100000000 ] - [ 0.0021155600000000, 0.0007328300000000, -0.0004538600000000 ] - [ 0.0043704500000000, -0.0053525400000000, 0.0002976500000000 ] - [ 0.0005862800000000, -0.0001449500000000, -0.0005101500000000 ] - [ 0.0073307900000000, -0.0004647800000000, -0.0000968200000000 ] - [ 0.0023241400000000, -0.0015211600000000, -0.0006273800000000 ] - [ 0.0002664000000000, -0.0004392900000000, 0.0000575900000000 ] - [ -0.0001312100000000, -0.0009434300000000, -0.0004626900000000 ] - [ 0.0013892600000000, -0.0014108500000000, -0.0002597500000000 ] - [ 0.0012014100000000, -0.0033969500000000, 0.0041980600000000 ] - [ 0.0009268500000000, -0.0000947700000000, -0.0006003300000000 ] - [ 0.0021531700000000, 0.0007420600000000, -0.0005878100000000 ] - [ 0.0001099400000000, -0.0019351100000000, -0.0008228100000000 ] - [ 0.0001030700000000, -0.0001640900000000, -0.0002609300000000 ] - [ -0.0206332200000000, -0.0080090500000000, -0.0078537000000000 ] - [ 0.0014827200000000, 0.0032840700000000, 0.0030805400000000 ] - [ -0.0012208500000000, -0.0004037300000000, -0.0002041900000000 ] - [ 0.0008326000000000, 0.0005237400000000, 0.0002207900000000 ] - [ -0.0046188400000000, 0.0006891300000000, -0.0010861400000000 ] - [ -0.0095072100000000, -0.0033618500000000, 0.0023482600000000 ] - [ 0.0025320200000000, -0.0012515100000000, -0.0030781200000000 ] - [ 0.0039280300000000, -0.0025247200000000, 0.0009935200000000 ] - [ 0.0030634900000000, -0.0004772700000000, 0.0012276700000000 ] - [ -0.0007313100000000, -0.0007461500000000, -0.0000913100000000 ] - [ 0.0031497800000000, -0.0011907700000000, -0.0001692500000000 ] - [ 0.0024163300000000, -0.0015333400000000, -0.0000682100000000 ] - [ 0.0002004100000000, -0.0039142000000000, -0.0045746200000000 ] - [ 0.0007978000000000, 0.0013663100000000, -0.0001438400000000 ] - [ 0.0038727500000000, 0.0011355000000000, -0.0027462800000000 ] - [ 0.0020536700000000, 0.0012234200000000, -0.0009617900000000 ] - [ 0.0009756300000000, -0.0002521600000000, -0.0004476300000000 ] - [ -0.0004241900000000, 0.0002791000000000, 0.0001974600000000 ] - [ -0.0042145400000000, -0.0045080500000000, 0.0017324300000000 ] - [ 0.0003371000000000, 0.0014952400000000, -0.0006794300000000 ] - [ 0.0023011000000000, 0.0011912300000000, -0.0000336300000000 ] - [ 0.0005269700000000, 0.0007929900000000, -0.0000838200000000 ] - [ -0.0004229400000000, 0.0002001600000000, -0.0003952400000000 ] - [ -0.0527735600000000, -0.0311425700000000, 0.0145291500000000 ] - [ 0.0011381600000000, 0.0025703000000000, 0.0027860100000000 ] - [ 0.0008035200000000, 0.0012191600000000, 0.0002352200000000 ] - [ 0.0003494900000000, 0.0011996800000000, -0.0001268500000000 ] - [ -0.0000150800000000, 0.0014364200000000, -0.0008120100000000 ] - [ -0.0002416200000000, 0.0026941200000000, -0.0004495800000000 ] - [ 0.0008404700000000, 0.0027110500000000, -0.0001947800000000 ] - [ -0.0123541200000000, -0.0021502300000000, -0.0013924100000000 ] - [ 0.0003416100000000, 0.0009991800000000, 0.0003176200000000 ] - [ 0.0021495400000000, 0.0065108000000000, 0.0010117600000000 ] - [ -0.0023384800000000, 0.0006648600000000, 0.0010135900000000 ] - [ -0.0002702000000000, 0.0034062900000000, -0.0063795200000000 ] - [ -0.0005326900000000, 0.0006843900000000, -0.0000315800000000 ] - [ 0.0000740000000000, -0.0003513300000000, 0.0000840900000000 ]- atom: 24 displacement: [ -0.0050000000104457, 0.0086602540318135, 0.0000000000000000 ] forces: - [ 0.0007680200000000, 0.0000857100000000, 0.0064162900000000 ] - [ 0.0030809800000000, -0.0026753000000000, -0.0022959300000000 ] - [ 0.0012838900000000, -0.0002773900000000, -0.0001520300000000 ] - [ -0.0010631900000000, -0.0036233700000000, -0.0035307600000000 ] - [ -0.0000716200000000, 0.0027676000000000, -0.0015182700000000 ] - [ -0.0010563000000000, -0.0006403500000000, 0.0000258900000000 ] - [ -0.0016469400000000, 0.0011333000000000, -0.0011579000000000 ] - [ 0.0004221100000000, 0.0014603700000000, 0.0004356400000000 ] - [ -0.0000960600000000, -0.0004875300000000, -0.0001192500000000 ] - [ -0.0012768200000000, 0.0020028100000000, 0.0005655200000000 ] - [ -0.0018312000000000, 0.0011494500000000, -0.0003401800000000 ] - [ -0.0009649600000000, -0.0008463100000000, -0.0000046400000000 ] - [ 0.0001389200000000, 0.0023037900000000, -0.0014664200000000 ] - [ -0.0002881100000000, -0.0035485200000000, -0.0043812100000000 ] - [ -0.0020630100000000, -0.0003606800000000, 0.0001943100000000 ] - [ -0.0013212600000000, 0.0034800600000000, -0.0000872200000000 ] - [ -0.0015210300000000, -0.0046779700000000, 0.0004754100000000 ] - [ 0.0008222600000000, 0.0008005100000000, 0.0002287700000000 ] - [ 0.0061463000000000, 0.0053747900000000, -0.0002662900000000 ] - [ 0.0056005400000000, 0.0069934600000000, 0.0006588100000000 ] - [ 0.0007075100000000, 0.0007045600000000, -0.0000599300000000 ] - [ 0.0136391400000000, -0.0062191400000000, -0.0118059000000000 ] - [ 0.0011116500000000, 0.0018162200000000, 0.0193808200000000 ] - [ 0.0709699600000000, -0.1831577300000000, 0.0127379500000000 ] - [ -0.0053903700000000, -0.0031150100000000, 0.0046796000000000 ] - [ -0.0035469500000000, -0.0205320100000000, -0.0019853100000000 ] - [ -0.0400213700000000, 0.0271233400000000, 0.0055091100000000 ] - [ -0.0055641100000000, 0.0145204700000000, 0.0012769900000000 ] - [ -0.0087001500000000, -0.0013781300000000, 0.0007407600000000 ] - [ -0.0019609100000000, 0.0038554100000000, 0.0001584400000000 ] - [ -0.0385552600000000, 0.0364606700000000, -0.0054823900000000 ] - [ -0.0052857600000000, 0.0085132700000000, 0.0035179300000000 ] - [ -0.0081276800000000, -0.0030219100000000, 0.0060460900000000 ] - [ -0.0014614900000000, -0.0014610300000000, 0.0005182300000000 ] - [ 0.0013709000000000, 0.0059794400000000, 0.0024542000000000 ] - [ -0.0011791300000000, 0.0043060800000000, 0.0009769500000000 ] - [ 0.0051082400000000, 0.0048331800000000, -0.0013415900000000 ] - [ 0.0066708600000000, -0.0022237600000000, 0.0017212900000000 ] - [ 0.0037439300000000, 0.0039385500000000, -0.0003876600000000 ] - [ 0.0073255400000000, 0.0014722900000000, -0.0079066400000000 ] - [ 0.0001196100000000, 0.0016101800000000, -0.0005404600000000 ] - [ -0.0006449600000000, -0.0005146100000000, -0.0004364100000000 ] - [ -0.0039589900000000, 0.0011456400000000, -0.0011562900000000 ] - [ -0.0011813000000000, -0.0033369400000000, -0.0019834300000000 ] - [ -0.0014944100000000, 0.0232490700000000, 0.0096661100000000 ] - [ -0.0009377600000000, -0.0003278700000000, -0.0000623000000000 ] - [ 0.0009171900000000, 0.0083077000000000, -0.0007028500000000 ] - [ -0.0010835900000000, -0.0008111400000000, 0.0002967900000000 ] - [ -0.0012051900000000, 0.0018588800000000, 0.0016115500000000 ] - [ -0.0062435600000000, 0.0123101700000000, -0.0003089000000000 ] - [ -0.0006647600000000, 0.0005324300000000, -0.0003285000000000 ] - [ -0.0026841700000000, -0.0027331100000000, 0.0019590600000000 ] - [ -0.0022993000000000, 0.0036537600000000, -0.0004119700000000 ] - [ -0.0065899200000000, 0.0111428900000000, 0.0010390100000000 ] - [ 0.0023916400000000, 0.0007239200000000, -0.0012042400000000 ] - [ -0.0063742300000000, 0.0366224700000000, -0.0166328200000000 ] - [ 0.0000152000000000, 0.0002855200000000, 0.0000345400000000 ] - [ -0.0001676800000000, 0.0014424600000000, 0.0002920200000000 ] - [ 0.0040699300000000, 0.0118947300000000, -0.0001493400000000 ] - [ 0.0009928800000000, 0.0003134800000000, 0.0003067700000000 ] - [ 0.0035361900000000, -0.0021710300000000, 0.0046534400000000 ] - [ 0.0002696800000000, -0.0088923500000000, -0.0005307000000000 ] - [ 0.0053825100000000, 0.0047228900000000, 0.0005844700000000 ] - [ 0.0005349000000000, -0.0004817400000000, -0.0006037400000000 ] - [ 0.0013588300000000, -0.0015650100000000, -0.0001119100000000 ] - [ 0.0012165600000000, -0.0033474500000000, -0.0003990200000000 ] - [ 0.0022726300000000, 0.0013597700000000, -0.0003119000000000 ] - [ 0.0019375500000000, -0.0023129600000000, 0.0014270900000000 ] - [ 0.0013798100000000, 0.0001396100000000, 0.0004479000000000 ] - [ 0.0004099700000000, -0.0002314100000000, -0.0002353000000000 ] - [ -0.0009094900000000, -0.0008343900000000, 0.0009078500000000 ] - [ -0.0011002800000000, -0.0002948400000000, -0.0000761600000000 ] - [ 0.0002947500000000, -0.0031793000000000, -0.0061953300000000 ] - [ 0.0015317100000000, 0.0009677300000000, -0.0003123200000000 ] - [ 0.0003347200000000, -0.0026349800000000, -0.0008592700000000 ] - [ 0.0000016000000000, -0.0016975100000000, -0.0001563900000000 ] - [ 0.0014587800000000, 0.0015009000000000, -0.0004380100000000 ] - [ 0.0003178500000000, -0.0021858300000000, -0.0001703000000000 ] - [ 0.0008073400000000, -0.0063166500000000, -0.0011712300000000 ] - [ 0.0005645100000000, -0.0014155000000000, -0.0003634800000000 ] - [ 0.0006388600000000, -0.0005779000000000, -0.0004343400000000 ] - [ 0.0008190300000000, 0.0000092200000000, 0.0004182100000000 ] - [ 0.0015081800000000, 0.0013188500000000, -0.0003529000000000 ] - [ 0.0074538700000000, -0.0084730300000000, 0.0003539900000000 ] - [ 0.0012549100000000, -0.0007863100000000, -0.0006207300000000 ] - [ 0.0092594600000000, 0.0013844000000000, 0.0001563800000000 ] - [ 0.0016491500000000, -0.0012467500000000, -0.0005864200000000 ] - [ 0.0002954000000000, -0.0014079400000000, 0.0002173300000000 ] - [ 0.0005008100000000, -0.0013559700000000, -0.0004388300000000 ] - [ 0.0017651000000000, -0.0012033800000000, -0.0004304800000000 ] - [ 0.0025077300000000, -0.0023380000000000, 0.0061373100000000 ] - [ 0.0007882400000000, 0.0005762600000000, -0.0005499100000000 ] - [ 0.0013432000000000, 0.0017918500000000, -0.0002376500000000 ] - [ 0.0012452300000000, -0.0010044500000000, -0.0008390900000000 ] - [ 0.0002358600000000, -0.0013901900000000, -0.0012217100000000 ] - [ -0.0120600100000000, 0.0078865900000000, -0.0054113600000000 ] - [ -0.0001862200000000, 0.0034975500000000, 0.0011519600000000 ] - [ -0.0001276400000000, -0.0013505900000000, -0.0002259100000000 ] - [ -0.0006784300000000, 0.0006585600000000, -0.0007606900000000 ] - [ -0.0018107000000000, 0.0003745700000000, 0.0011280200000000 ] - [ -0.0068601400000000, 0.0147011000000000, -0.0030503900000000 ] - [ 0.0043772000000000, 0.0008983400000000, -0.0053797600000000 ] - [ 0.0066655200000000, -0.0032304400000000, 0.0017066900000000 ] - [ 0.0019656700000000, 0.0004183700000000, 0.0003633500000000 ] - [ 0.0001892200000000, -0.0014642000000000, -0.0001470300000000 ] - [ 0.0010338400000000, 0.0009248300000000, 0.0001091400000000 ] - [ 0.0015883900000000, -0.0010031000000000, -0.0001562400000000 ] - [ 0.0025801300000000, -0.0059761600000000, -0.0066718400000000 ] - [ -0.0002355300000000, -0.0013948000000000, -0.0000912800000000 ] - [ 0.0007074500000000, 0.0026143800000000, -0.0003996300000000 ] - [ 0.0003342400000000, 0.0005926500000000, 0.0000592600000000 ] - [ 0.0005667500000000, -0.0007353900000000, -0.0005276100000000 ] - [ -0.0004436100000000, -0.0017117700000000, -0.0005082600000000 ] - [ -0.0009715100000000, -0.0068948500000000, 0.0025112300000000 ] - [ -0.0010549300000000, 0.0004264300000000, -0.0000058600000000 ] - [ -0.0007015600000000, 0.0003118400000000, -0.0003828200000000 ] - [ -0.0023543500000000, -0.0010470000000000, -0.0001947800000000 ] - [ -0.0001231200000000, -0.0017091800000000, -0.0000682800000000 ] - [ 0.0008419900000000, 0.0178803100000000, -0.0031737800000000 ] - [ -0.0019993000000000, 0.0001600100000000, -0.0012036000000000 ] - [ -0.0004844500000000, -0.0008305300000000, 0.0002037500000000 ] - [ -0.0008778200000000, -0.0010877700000000, 0.0006795100000000 ] - [ -0.0012046800000000, -0.0008301500000000, 0.0003207800000000 ] - [ -0.0019708900000000, -0.0015835700000000, 0.0015197200000000 ] - [ -0.0009013200000000, -0.0015318100000000, -0.0006223600000000 ] - [ 0.0008944200000000, 0.0153954100000000, 0.0089343100000000 ] - [ 0.0000971600000000, -0.0013085700000000, -0.0000977100000000 ] - [ -0.0017813500000000, 0.0027909500000000, 0.0004390200000000 ] - [ -0.0036957400000000, -0.0013886500000000, -0.0015413800000000 ] - [ -0.0037156000000000, 0.0026253700000000, -0.0026540600000000 ] - [ 0.0007251900000000, -0.0020590600000000, -0.0000633100000000 ] - [ -0.0000870800000000, -0.0016451900000000, 0.0008365300000000 ]- atom: 24 displacement: [ 0.0050000000104457, -0.0086602540318135, 0.0000000000000000 ] forces: - [ -0.0008224300000000, -0.0002061500000000, -0.0061273600000000 ] - [ -0.0031287900000000, 0.0026092400000000, 0.0019254800000000 ] - [ -0.0013441600000000, 0.0003708400000000, -0.0001811000000000 ] - [ 0.0010343300000000, 0.0036623700000000, 0.0041281700000000 ] - [ 0.0001726600000000, -0.0027949000000000, 0.0017880400000000 ] - [ 0.0010176600000000, 0.0007474300000000, 0.0002302200000000 ] - [ 0.0017751500000000, -0.0011313800000000, 0.0008349100000000 ] - [ -0.0005016700000000, -0.0015387100000000, -0.0002049800000000 ] - [ 0.0000275100000000, 0.0003762700000000, -0.0002098100000000 ] - [ 0.0012161000000000, -0.0018915900000000, -0.0009007300000000 ] - [ 0.0018242100000000, -0.0011517800000000, 0.0009230000000000 ] - [ 0.0010727000000000, 0.0008200900000000, 0.0002377500000000 ] - [ -0.0001648700000000, -0.0021993500000000, 0.0016909100000000 ] - [ 0.0004280900000000, 0.0035280100000000, 0.0040387200000000 ] - [ 0.0019975300000000, 0.0002873000000000, 0.0000422900000000 ] - [ 0.0012653100000000, -0.0035804400000000, -0.0002624700000000 ] - [ 0.0014976800000000, 0.0047629800000000, -0.0008115000000000 ] - [ -0.0008161100000000, -0.0007956100000000, 0.0003765000000000 ] - [ -0.0059889800000000, -0.0053850600000000, 0.0004985700000000 ] - [ -0.0056941700000000, -0.0068983900000000, -0.0004237900000000 ] - [ -0.0005886900000000, -0.0007105500000000, -0.0002889900000000 ] - [ -0.0149197500000000, 0.0066677400000000, 0.0123606300000000 ] - [ -0.0009946900000000, -0.0030619900000000, -0.0188798900000000 ] - [ -0.0701527400000000, 0.1844052400000000, -0.0114818400000000 ] - [ 0.0064485800000000, 0.0040000100000000, -0.0041722100000000 ] - [ 0.0038488000000000, 0.0194601400000000, 0.0031118000000000 ] - [ 0.0391358200000000, -0.0271170600000000, -0.0044804800000000 ] - [ 0.0042533600000000, -0.0140557500000000, -0.0007166900000000 ] - [ 0.0088671800000000, 0.0000105900000000, -0.0001707300000000 ] - [ 0.0026933900000000, -0.0028993600000000, 0.0008785300000000 ] - [ 0.0392482900000000, -0.0353449700000000, 0.0059720500000000 ] - [ 0.0057444400000000, -0.0096521700000000, -0.0024584200000000 ] - [ 0.0069137500000000, 0.0031408600000000, -0.0049796400000000 ] - [ 0.0002246500000000, 0.0019671600000000, 0.0000486500000000 ] - [ -0.0011483400000000, -0.0073125300000000, -0.0018640400000000 ] - [ 0.0019472800000000, -0.0033311300000000, 0.0000882200000000 ] - [ -0.0040540900000000, -0.0039681500000000, 0.0019195300000000 ] - [ -0.0061869900000000, 0.0011140900000000, -0.0006423300000000 ] - [ -0.0049390300000000, -0.0037850500000000, 0.0014548300000000 ] - [ -0.0072346200000000, -0.0015077400000000, 0.0075457000000000 ] - [ -0.0003252800000000, -0.0018663700000000, 0.0005556500000000 ] - [ 0.0008573000000000, 0.0006988200000000, 0.0004132700000000 ] - [ 0.0033615900000000, -0.0007209100000000, 0.0010922200000000 ] - [ 0.0010076600000000, 0.0032476000000000, 0.0020842800000000 ] - [ 0.0009068800000000, -0.0218594900000000, -0.0091437500000000 ] - [ 0.0006705700000000, 0.0004252500000000, 0.0000420900000000 ] - [ -0.0010134600000000, -0.0081619300000000, 0.0005648700000000 ] - [ 0.0017639600000000, 0.0011232800000000, -0.0003624100000000 ] - [ 0.0011705300000000, -0.0014858300000000, -0.0013027200000000 ] - [ 0.0066850600000000, -0.0123471500000000, -0.0008152600000000 ] - [ 0.0003755700000000, -0.0007688400000000, 0.0006326900000000 ] - [ 0.0028528300000000, 0.0026280100000000, -0.0018547200000000 ] - [ 0.0025003300000000, -0.0036519700000000, 0.0002822400000000 ] - [ 0.0062547600000000, -0.0107622300000000, -0.0019523900000000 ] - [ -0.0024624000000000, -0.0008976700000000, 0.0010799700000000 ] - [ 0.0073209000000000, -0.0398182000000000, 0.0167733800000000 ] - [ -0.0001619000000000, 0.0000077400000000, -0.0000217300000000 ] - [ -0.0000592000000000, -0.0018053600000000, -0.0011914600000000 ] - [ -0.0035793900000000, -0.0121527100000000, 0.0006607300000000 ] - [ -0.0006502200000000, -0.0004664600000000, -0.0000040200000000 ] - [ -0.0037427700000000, 0.0025717700000000, -0.0055937900000000 ] - [ 0.0002176400000000, 0.0092117900000000, 0.0004463300000000 ] - [ -0.0048379300000000, -0.0046829000000000, -0.0014156400000000 ] - [ -0.0005927200000000, 0.0004757800000000, 0.0003005400000000 ] - [ -0.0014407400000000, 0.0008250600000000, 0.0000480300000000 ] - [ -0.0008911700000000, 0.0033413800000000, 0.0004131400000000 ] - [ -0.0027435200000000, -0.0010770100000000, 0.0002263800000000 ] - [ -0.0019075800000000, 0.0023747700000000, -0.0017358400000000 ] - [ -0.0013833000000000, 0.0000403600000000, -0.0003386100000000 ] - [ -0.0003673300000000, -0.0000510400000000, 0.0002207000000000 ] - [ 0.0010031400000000, 0.0008567900000000, -0.0012360300000000 ] - [ 0.0009117100000000, 0.0000421300000000, 0.0002590400000000 ] - [ -0.0000146900000000, 0.0033122100000000, 0.0063599600000000 ] - [ -0.0020998600000000, -0.0005230900000000, 0.0001331900000000 ] - [ -0.0004596300000000, 0.0025724000000000, 0.0010661900000000 ] - [ 0.0000047900000000, 0.0011259300000000, -0.0000977200000000 ] - [ -0.0016935200000000, -0.0013405900000000, 0.0005139800000000 ] - [ -0.0004114100000000, 0.0023396100000000, 0.0000711400000000 ] - [ -0.0001332700000000, 0.0066260200000000, 0.0009999100000000 ] - [ -0.0005756500000000, 0.0018387000000000, 0.0007348800000000 ] - [ -0.0002266800000000, 0.0005078900000000, -0.0004517600000000 ] - [ -0.0011726100000000, -0.0002371300000000, -0.0000531400000000 ] - [ -0.0014044600000000, -0.0014160400000000, 0.0005596400000000 ] - [ -0.0072477900000000, 0.0084635000000000, -0.0004482100000000 ] - [ -0.0015899600000000, 0.0012272200000000, -0.0002775400000000 ] - [ -0.0092831800000000, -0.0015298400000000, -0.0002505600000000 ] - [ -0.0018563600000000, 0.0007361500000000, -0.0003125900000000 ] - [ -0.0004328500000000, 0.0016903900000000, -0.0000320400000000 ] - [ -0.0007699300000000, 0.0010400500000000, -0.0004450800000000 ] - [ -0.0017588900000000, 0.0012083100000000, 0.0008286700000000 ] - [ -0.0021210000000000, 0.0021434500000000, -0.0057358400000000 ] - [ -0.0009303900000000, -0.0001820800000000, -0.0003365800000000 ] - [ -0.0008526500000000, -0.0015029900000000, -0.0000138300000000 ] - [ -0.0006944700000000, 0.0010968800000000, -0.0000623500000000 ] - [ -0.0002634400000000, 0.0012909200000000, 0.0008920600000000 ] - [ 0.0109634100000000, -0.0081721500000000, 0.0048119800000000 ] - [ 0.0004963400000000, -0.0035231200000000, -0.0009735900000000 ] - [ -0.0003707700000000, 0.0016378100000000, -0.0000311300000000 ] - [ 0.0006077000000000, -0.0005894100000000, 0.0004335600000000 ] - [ 0.0018172500000000, -0.0002281000000000, -0.0009237700000000 ] - [ 0.0069917400000000, -0.0148122900000000, 0.0027645700000000 ] - [ -0.0043277800000000, -0.0009258000000000, 0.0053136700000000 ] - [ -0.0069351500000000, 0.0030302300000000, -0.0016948200000000 ] - [ -0.0016988900000000, -0.0002878900000000, -0.0005034800000000 ] - [ -0.0007901400000000, 0.0018965900000000, -0.0001118100000000 ] - [ -0.0011629400000000, -0.0009554100000000, -0.0001078000000000 ] - [ -0.0015912600000000, 0.0004277000000000, 0.0001217500000000 ] - [ -0.0028115300000000, 0.0061207500000000, 0.0065006100000000 ] - [ 0.0001259900000000, 0.0015293700000000, -0.0001655100000000 ] - [ -0.0000514300000000, -0.0023073600000000, 0.0001528300000000 ] - [ -0.0003560900000000, -0.0001710100000000, 0.0002187300000000 ] - [ -0.0001540700000000, 0.0006876800000000, -0.0001595500000000 ] - [ 0.0000774900000000, 0.0014761800000000, 0.0007780700000000 ] - [ 0.0010609500000000, 0.0067673600000000, -0.0024954100000000 ] - [ 0.0012312900000000, -0.0004116500000000, -0.0002466100000000 ] - [ 0.0003858000000000, 0.0001171800000000, -0.0004024500000000 ] - [ 0.0022766700000000, 0.0008815400000000, -0.0000606600000000 ] - [ -0.0001055000000000, 0.0012303900000000, -0.0007157900000000 ] - [ -0.0008914600000000, -0.0174578100000000, 0.0031551300000000 ] - [ 0.0017440300000000, -0.0005076700000000, 0.0005063700000000 ] - [ 0.0004792800000000, 0.0008289000000000, 0.0002799200000000 ] - [ 0.0012590500000000, 0.0008906900000000, -0.0004076700000000 ] - [ 0.0010329400000000, 0.0012138500000000, -0.0010065800000000 ] - [ 0.0024579500000000, 0.0018835600000000, -0.0015456100000000 ] - [ 0.0014275800000000, 0.0015800300000000, -0.0001623600000000 ] - [ -0.0010896800000000, -0.0156135900000000, -0.0094967100000000 ] - [ -0.0001721600000000, 0.0005736800000000, -0.0001552600000000 ] - [ 0.0020879800000000, -0.0028589900000000, -0.0004170000000000 ] - [ 0.0032070400000000, 0.0016644000000000, 0.0015094000000000 ] - [ 0.0037012800000000, -0.0025555800000000, 0.0025480600000000 ] - [ -0.0006836200000000, 0.0021854800000000, 0.0000682300000000 ] - [ 0.0000727200000000, 0.0013615500000000, -0.0009864100000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0022941400000000, 0.0088962700000000, 0.0082376600000000 ] - [ -0.0063475000000000, -0.0069708400000000, 0.0082794600000000 ] - [ 0.0008559200000000, 0.0009674900000000, 0.0009726400000000 ] - [ 0.0083642600000000, -0.0023752900000000, 0.0078386200000000 ] - [ 0.0002943000000000, -0.0011104900000000, 0.0013745600000000 ] - [ 0.0002764300000000, 0.0000700200000000, 0.0005182100000000 ] - [ 0.0004160500000000, -0.0001953100000000, 0.0001935900000000 ] - [ -0.0000252800000000, 0.0007335500000000, 0.0003304100000000 ] - [ -0.0006826800000000, -0.0001335500000000, 0.0000781300000000 ] - [ -0.0005084300000000, 0.0005291200000000, 0.0000669600000000 ] - [ 0.0003501000000000, -0.0001095200000000, 0.0006690000000000 ] - [ 0.0003974100000000, -0.0001408200000000, 0.0004692400000000 ] - [ 0.0006270200000000, -0.0012948800000000, 0.0009010900000000 ] - [ 0.0047330900000000, -0.0013872900000000, 0.0063000600000000 ] - [ -0.0000479800000000, -0.0000647100000000, -0.0003294500000000 ] - [ 0.0000026000000000, -0.0001574500000000, -0.0006181300000000 ] - [ -0.0003019400000000, 0.0010170000000000, -0.0035511300000000 ] - [ 0.0000112800000000, -0.0000923700000000, -0.0002410600000000 ] - [ 0.0000650300000000, 0.0000995500000000, -0.0036676800000000 ] - [ 0.0000563000000000, -0.0006163900000000, -0.0043212500000000 ] - [ 0.0000211000000000, 0.0000544900000000, -0.0006997200000000 ] - [ -0.0190488200000000, -0.0116467400000000, 0.0321349100000000 ] - [ -0.0102653200000000, 0.0210932700000000, 0.0333417100000000 ] - [ -0.0051470500000000, 0.0113429800000000, -0.2380181400000000 ] - [ -0.0036196200000000, 0.0015509600000000, 0.0028017200000000 ] - [ 0.0051621800000000, -0.0033739100000000, -0.0144824100000000 ] - [ 0.0052164600000000, -0.0003183800000000, -0.0144800600000000 ] - [ -0.0005449200000000, -0.0003724500000000, -0.0018649600000000 ] - [ 0.0006121100000000, -0.0003020900000000, -0.0015518700000000 ] - [ 0.0000384700000000, 0.0007985800000000, 0.0012738500000000 ] - [ -0.0015677800000000, -0.0067479800000000, -0.0170631400000000 ] - [ -0.0006904300000000, 0.0010240600000000, 0.0016038100000000 ] - [ -0.0067997300000000, 0.0022899200000000, 0.0034136800000000 ] - [ -0.0026805800000000, -0.0010683400000000, 0.0018587100000000 ] - [ 0.0002553800000000, 0.0017342200000000, 0.0019334400000000 ] - [ 0.0007394500000000, 0.0002775900000000, 0.0013039400000000 ] - [ -0.0005631600000000, -0.0020166400000000, 0.0026041300000000 ] - [ 0.0057225700000000, 0.0028530700000000, 0.0034668200000000 ] - [ -0.0018274600000000, -0.0026488500000000, 0.0016428300000000 ] - [ 0.0023820200000000, -0.0021322100000000, 0.0019552800000000 ] - [ 0.0042497200000000, -0.0014858700000000, -0.0029909800000000 ] - [ -0.0005055300000000, 0.0004243100000000, -0.0015011200000000 ] - [ -0.0035422400000000, -0.0008993800000000, -0.0042899100000000 ] - [ -0.0004591900000000, -0.0029405300000000, -0.0005100700000000 ] - [ 0.0037193200000000, 0.0036707200000000, 0.0168531400000000 ] - [ -0.0000664800000000, -0.0005831200000000, -0.0019442200000000 ] - [ 0.0020562500000000, -0.0001230300000000, -0.0072421000000000 ] - [ 0.0023711000000000, 0.0026479400000000, -0.0013966000000000 ] - [ -0.0010480000000000, -0.0017156900000000, -0.0100586900000000 ] - [ 0.0006319500000000, 0.0009353000000000, 0.0844272100000000 ] - [ -0.0003025500000000, 0.0022905900000000, -0.0106394500000000 ] - [ 0.0011384800000000, 0.0028300200000000, -0.0006638600000000 ] - [ 0.0032684200000000, -0.0020149900000000, -0.0013672100000000 ] - [ 0.0030064300000000, 0.0069891100000000, 0.0161834700000000 ] - [ 0.0038346400000000, -0.0000475400000000, -0.0013817400000000 ] - [ -0.0014962100000000, -0.0081441100000000, 0.0163921500000000 ] - [ -0.0000851100000000, 0.0000779500000000, -0.0003633900000000 ] - [ -0.0024511400000000, -0.0008712600000000, 0.0010031600000000 ] - [ 0.0051084800000000, -0.0014109200000000, 0.0128667100000000 ] - [ -0.0007398900000000, 0.0001979800000000, -0.0022001400000000 ] - [ -0.0018295400000000, 0.0020932600000000, 0.0009850300000000 ] - [ -0.0002011300000000, 0.0016907200000000, 0.0009731600000000 ] - [ 0.0007132800000000, -0.0001510500000000, 0.0017839000000000 ] - [ -0.0000810500000000, -0.0000090100000000, 0.0000663900000000 ] - [ 0.0002347100000000, -0.0006755200000000, -0.0004050400000000 ] - [ 0.0001850500000000, -0.0001297900000000, -0.0004085400000000 ] - [ -0.0008004700000000, 0.0000335700000000, 0.0002976400000000 ] - [ 0.0001784500000000, 0.0000484000000000, 0.0002195400000000 ] - [ 0.0001354700000000, 0.0001053500000000, 0.0001066800000000 ] - [ 0.0002970500000000, 0.0001446200000000, -0.0008340800000000 ] - [ 0.0005170600000000, 0.0004329700000000, -0.0013916700000000 ] - [ 0.0002871500000000, -0.0000751900000000, 0.0002614000000000 ] - [ 0.0045588000000000, -0.0033328700000000, 0.0043966900000000 ] - [ -0.0003129800000000, -0.0000200900000000, 0.0004809300000000 ] - [ 0.0010946800000000, -0.0038793700000000, -0.0018386700000000 ] - [ -0.0001449400000000, -0.0001118400000000, -0.0006202000000000 ] - [ 0.0005083000000000, 0.0005583400000000, 0.0011826800000000 ] - [ -0.0000902000000000, 0.0000820600000000, 0.0001230700000000 ] - [ 0.0004316900000000, 0.0002927700000000, 0.0005960000000000 ] - [ 0.0000282600000000, 0.0000309800000000, 0.0007335700000000 ] - [ 0.0002875300000000, -0.0001333300000000, -0.0010502200000000 ] - [ -0.0002218900000000, -0.0001141000000000, 0.0005188700000000 ] - [ 0.0005505500000000, 0.0001750800000000, -0.0003800500000000 ] - [ -0.0003788600000000, 0.0004224400000000, 0.0002270600000000 ] - [ 0.0000127900000000, 0.0001484100000000, -0.0006929800000000 ] - [ -0.0008855300000000, 0.0002528600000000, 0.0007496500000000 ] - [ 0.0005438900000000, -0.0007051300000000, -0.0007478000000000 ] - [ -0.0000131300000000, 0.0003074000000000, 0.0001209400000000 ] - [ -0.0002068400000000, -0.0002122000000000, -0.0014035600000000 ] - [ 0.0004056700000000, -0.0005016800000000, 0.0002456300000000 ] - [ -0.0012850700000000, 0.0017962500000000, 0.0015275800000000 ] - [ -0.0003107900000000, 0.0002535900000000, -0.0027353800000000 ] - [ 0.0007579200000000, 0.0004215900000000, -0.0006532000000000 ] - [ 0.0008943800000000, -0.0010194600000000, -0.0009914300000000 ] - [ 0.0000105900000000, -0.0003820500000000, -0.0009738100000000 ] - [ 0.0018161700000000, 0.0043651700000000, 0.0148443000000000 ] - [ -0.0017687200000000, -0.0014798800000000, -0.0005542500000000 ] - [ -0.0000644900000000, -0.0008154500000000, -0.0007483400000000 ] - [ -0.0006070100000000, 0.0005353700000000, -0.0021455000000000 ] - [ -0.0022029300000000, 0.0020260100000000, -0.0051689600000000 ] - [ 0.0037460300000000, -0.0102615800000000, 0.0146741300000000 ] - [ 0.0002615000000000, -0.0007552800000000, 0.0012686200000000 ] - [ -0.0005978300000000, 0.0001796200000000, 0.0002484600000000 ] - [ 0.0008967700000000, -0.0001415100000000, 0.0008648600000000 ] - [ -0.0002372800000000, 0.0000849700000000, -0.0000695200000000 ] - [ -0.0001164600000000, 0.0000099500000000, 0.0003486400000000 ] - [ 0.0003313000000000, -0.0004717200000000, 0.0000922500000000 ] - [ 0.0007213700000000, -0.0002874700000000, 0.0011344800000000 ] - [ 0.0000510100000000, 0.0001336300000000, -0.0001617400000000 ] - [ 0.0026766700000000, 0.0005322300000000, -0.0006539700000000 ] - [ 0.0002472000000000, 0.0003742000000000, 0.0005481600000000 ] - [ 0.0001616700000000, 0.0000080400000000, -0.0000031700000000 ] - [ -0.0002000600000000, -0.0003342700000000, 0.0006296200000000 ] - [ -0.0000409900000000, 0.0001313400000000, 0.0015551600000000 ] - [ 0.0005919400000000, 0.0006161400000000, -0.0004610700000000 ] - [ -0.0010477700000000, 0.0000221000000000, -0.0003463700000000 ] - [ -0.0000975800000000, -0.0001173700000000, -0.0002629000000000 ] - [ -0.0003988500000000, 0.0003893400000000, -0.0004183200000000 ] - [ -0.0147147700000000, -0.0118330100000000, 0.0202218600000000 ] - [ -0.0006571700000000, -0.0004973000000000, 0.0012795300000000 ] - [ -0.0003727500000000, 0.0000062200000000, -0.0001909400000000 ] - [ 0.0003579900000000, 0.0001819100000000, 0.0004925900000000 ] - [ 0.0000217000000000, 0.0004011100000000, 0.0004581000000000 ] - [ 0.0016836700000000, 0.0044284000000000, -0.0004798800000000 ] - [ 0.0000403900000000, -0.0003915000000000, -0.0003257200000000 ] - [ 0.0103078600000000, 0.0091342700000000, 0.0223404200000000 ] - [ -0.0001932700000000, -0.0002787400000000, -0.0001575000000000 ] - [ -0.0008739000000000, -0.0006857400000000, 0.0009692500000000 ] - [ -0.0032094700000000, -0.0031127900000000, -0.0007984400000000 ] - [ 0.0051910600000000, 0.0002692400000000, 0.0039407500000000 ] - [ 0.0001788900000000, -0.0000082100000000, 0.0005575900000000 ] - [ -0.0000779100000000, -0.0000785400000000, 0.0001562100000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0021926200000000, -0.0088928700000000, -0.0079545400000000 ] - [ 0.0062205700000000, 0.0068024400000000, -0.0085929000000000 ] - [ -0.0009042500000000, -0.0008586900000000, -0.0013144100000000 ] - [ -0.0082828000000000, 0.0023508000000000, -0.0072225800000000 ] - [ -0.0001818200000000, 0.0010789700000000, -0.0011315300000000 ] - [ -0.0003089200000000, 0.0000363300000000, -0.0002658800000000 ] - [ -0.0002949900000000, 0.0001923700000000, -0.0005291300000000 ] - [ -0.0000475700000000, -0.0008194700000000, -0.0000933100000000 ] - [ 0.0006261100000000, 0.0000241000000000, -0.0004041500000000 ] - [ 0.0004509700000000, -0.0004240600000000, -0.0003921700000000 ] - [ -0.0003503900000000, 0.0001106900000000, -0.0000763000000000 ] - [ -0.0002943100000000, 0.0001185500000000, -0.0002308200000000 ] - [ -0.0006676900000000, 0.0014081100000000, -0.0006586000000000 ] - [ -0.0046561900000000, 0.0014050900000000, -0.0066434000000000 ] - [ -0.0000273700000000, -0.0000124000000000, 0.0005681000000000 ] - [ -0.0000665600000000, 0.0000492800000000, 0.0002698500000000 ] - [ 0.0002794100000000, -0.0009037300000000, 0.0032138800000000 ] - [ -0.0000097100000000, 0.0000942100000000, 0.0008476100000000 ] - [ 0.0000299800000000, -0.0001445400000000, 0.0039194400000000 ] - [ -0.0000826600000000, 0.0007552000000000, 0.0045796300000000 ] - [ 0.0001034000000000, -0.0000571300000000, 0.0003522300000000 ] - [ 0.0179412100000000, 0.0122777900000000, -0.0316943000000000 ] - [ 0.0105331700000000, -0.0226497200000000, -0.0329146000000000 ] - [ 0.0059342200000000, -0.0102109400000000, 0.2370524400000000 ] - [ 0.0047177400000000, -0.0007104500000000, -0.0022398700000000 ] - [ -0.0048247200000000, 0.0021969900000000, 0.0155934400000000 ] - [ -0.0065411800000000, 0.0005824900000000, 0.0155959300000000 ] - [ -0.0007216600000000, 0.0008700200000000, 0.0024305300000000 ] - [ -0.0003951700000000, -0.0010487000000000, 0.0021109600000000 ] - [ 0.0007188300000000, 0.0001685800000000, -0.0002526200000000 ] - [ 0.0027321500000000, 0.0074907200000000, 0.0176673300000000 ] - [ 0.0011540300000000, -0.0021591900000000, -0.0005954900000000 ] - [ 0.0055430300000000, -0.0021100200000000, -0.0024200500000000 ] - [ 0.0014056800000000, 0.0015645100000000, -0.0013126300000000 ] - [ -0.0000601600000000, -0.0030629500000000, -0.0013827700000000 ] - [ -0.0000002300000000, 0.0006857100000000, -0.0002216900000000 ] - [ 0.0016229400000000, 0.0028609400000000, -0.0020577600000000 ] - [ -0.0053002900000000, -0.0040056200000000, -0.0023662300000000 ] - [ 0.0006321600000000, 0.0028292100000000, -0.0005560400000000 ] - [ -0.0023520600000000, 0.0020637100000000, -0.0022176400000000 ] - [ -0.0043744900000000, 0.0011961600000000, 0.0030070100000000 ] - [ 0.0007241300000000, -0.0002489200000000, 0.0014877200000000 ] - [ 0.0029735700000000, 0.0013550000000000, 0.0042267500000000 ] - [ 0.0002948400000000, 0.0028417200000000, 0.0006325200000000 ] - [ -0.0038085500000000, -0.0040317400000000, -0.0169266100000000 ] - [ -0.0001972200000000, 0.0006949100000000, 0.0019333700000000 ] - [ -0.0021889500000000, 0.0002843400000000, 0.0071491000000000 ] - [ -0.0017135600000000, -0.0023726400000000, 0.0013321300000000 ] - [ 0.0009894000000000, 0.0020618200000000, 0.0103474000000000 ] - [ -0.0001168500000000, -0.0008541800000000, -0.0801906500000000 ] - [ -0.0000010900000000, -0.0024842100000000, 0.0109266600000000 ] - [ -0.0009822500000000, -0.0029219800000000, 0.0007869500000000 ] - [ -0.0031104600000000, 0.0020463700000000, 0.0012314900000000 ] - [ -0.0031502600000000, -0.0064366200000000, -0.0170498200000000 ] - [ -0.0039488400000000, -0.0001176400000000, 0.0012459100000000 ] - [ 0.0014398400000000, 0.0073813300000000, -0.0172631200000000 ] - [ -0.0000731500000000, 0.0002090200000000, 0.0003798900000000 ] - [ 0.0022007700000000, 0.0005086500000000, -0.0018770800000000 ] - [ -0.0049351800000000, 0.0013651100000000, -0.0123174400000000 ] - [ 0.0010665400000000, -0.0003410000000000, 0.0024969100000000 ] - [ 0.0016445800000000, -0.0016950600000000, -0.0018566500000000 ] - [ 0.0006896400000000, -0.0014323500000000, -0.0010562900000000 ] - [ -0.0001320100000000, 0.0002424800000000, -0.0026065700000000 ] - [ 0.0000186600000000, 0.0000036600000000, -0.0003630700000000 ] - [ -0.0003178700000000, -0.0000560400000000, 0.0003403300000000 ] - [ 0.0001397300000000, 0.0001267800000000, 0.0004279700000000 ] - [ 0.0003226100000000, 0.0002508900000000, -0.0003797000000000 ] - [ -0.0001467400000000, 0.0000092600000000, -0.0005138700000000 ] - [ -0.0001294300000000, 0.0000759300000000, 0.0000086200000000 ] - [ -0.0002492700000000, -0.0004235000000000, 0.0008164500000000 ] - [ -0.0004253500000000, -0.0004124800000000, 0.0010677600000000 ] - [ -0.0004822300000000, -0.0001792200000000, -0.0000826700000000 ] - [ -0.0043321200000000, 0.0034759300000000, -0.0043619200000000 ] - [ -0.0002668000000000, 0.0004660000000000, -0.0006639600000000 ] - [ -0.0012377800000000, 0.0038640800000000, 0.0020497900000000 ] - [ 0.0001446100000000, -0.0004543000000000, 0.0003691000000000 ] - [ -0.0007429700000000, -0.0003909300000000, -0.0011172500000000 ] - [ -0.0000150000000000, 0.0000593600000000, -0.0002224800000000 ] - [ 0.0002419600000000, -0.0000151900000000, -0.0007814100000000 ] - [ -0.0000451900000000, 0.0003929500000000, -0.0003767600000000 ] - [ 0.0001198400000000, 0.0000631000000000, 0.0001648500000000 ] - [ -0.0001375200000000, -0.0001163700000000, -0.0001602900000000 ] - [ -0.0004504100000000, -0.0002710300000000, 0.0005852700000000 ] - [ 0.0005445700000000, -0.0003860400000000, -0.0003270700000000 ] - [ -0.0003570300000000, 0.0002903900000000, -0.0002019700000000 ] - [ 0.0007932300000000, -0.0004171800000000, -0.0008477900000000 ] - [ -0.0007494400000000, 0.0001892500000000, -0.0001487800000000 ] - [ -0.0001140800000000, -0.0000181100000000, 0.0000562600000000 ] - [ -0.0000599700000000, -0.0001052200000000, 0.0005212200000000 ] - [ -0.0004064500000000, 0.0005005100000000, 0.0001641200000000 ] - [ 0.0016677400000000, -0.0019932800000000, -0.0012015900000000 ] - [ 0.0001798200000000, 0.0001317300000000, 0.0018503000000000 ] - [ -0.0002649500000000, -0.0001365300000000, 0.0004031400000000 ] - [ -0.0003373500000000, 0.0010919600000000, 0.0000992900000000 ] - [ -0.0000349900000000, 0.0002830500000000, 0.0006459100000000 ] - [ -0.0021637000000000, -0.0049577100000000, -0.0151153600000000 ] - [ 0.0020989300000000, 0.0014529800000000, 0.0007260300000000 ] - [ -0.0004216400000000, 0.0010908900000000, 0.0004991200000000 ] - [ 0.0005510100000000, -0.0004631500000000, 0.0018248000000000 ] - [ 0.0022290500000000, -0.0019115300000000, 0.0053788900000000 ] - [ -0.0034528500000000, 0.0110229000000000, -0.0157363400000000 ] - [ -0.0001808200000000, 0.0007479700000000, -0.0013945500000000 ] - [ 0.0003768700000000, -0.0003921200000000, -0.0002200200000000 ] - [ -0.0006297400000000, 0.0002672900000000, -0.0009914900000000 ] - [ -0.0003529100000000, 0.0003478400000000, -0.0001799300000000 ] - [ -0.0000134100000000, -0.0000468500000000, -0.0003496600000000 ] - [ -0.0003354200000000, -0.0000993400000000, -0.0001322000000000 ] - [ -0.0009676900000000, 0.0004720400000000, -0.0012458100000000 ] - [ -0.0001549400000000, 0.0000074400000000, -0.0000923300000000 ] - [ -0.0019984000000000, -0.0002319800000000, 0.0004116700000000 ] - [ -0.0002655900000000, 0.0000481100000000, -0.0002618900000000 ] - [ 0.0002574200000000, -0.0000537700000000, -0.0006922200000000 ] - [ -0.0001594000000000, 0.0001039600000000, -0.0003452600000000 ] - [ 0.0001458200000000, -0.0002036100000000, -0.0015726600000000 ] - [ -0.0004105900000000, -0.0005937000000000, 0.0002113100000000 ] - [ 0.0007483300000000, 0.0004100000000000, -0.0004413000000000 ] - [ 0.0000273200000000, -0.0000470300000000, 0.0000105100000000 ] - [ 0.0001807000000000, -0.0008730900000000, -0.0003694200000000 ] - [ 0.0144342700000000, 0.0119504600000000, -0.0202777400000000 ] - [ 0.0004039000000000, 0.0001557100000000, -0.0019937500000000 ] - [ 0.0003762500000000, -0.0000052600000000, 0.0006751100000000 ] - [ 0.0000195700000000, -0.0003806300000000, -0.0002091100000000 ] - [ -0.0001888700000000, -0.0000164300000000, -0.0011581400000000 ] - [ -0.0011966600000000, -0.0041742100000000, 0.0004385100000000 ] - [ 0.0004866000000000, 0.0004485400000000, -0.0004623100000000 ] - [ -0.0107453300000000, -0.0104733400000000, -0.0240375600000000 ] - [ 0.0001116000000000, -0.0004544400000000, -0.0000924400000000 ] - [ 0.0011796000000000, 0.0006144300000000, -0.0009424300000000 ] - [ 0.0027368900000000, 0.0034219100000000, 0.0007553000000000 ] - [ -0.0052538900000000, -0.0001967000000000, -0.0040861300000000 ] - [ -0.0001530200000000, 0.0001305100000000, -0.0005614300000000 ] - [ 0.0000529700000000, -0.0002144300000000, -0.0002891200000000 ]- atom: 40 displacement: [ 0.0100000000000000, 0.0000000000065404, 0.0000000000000000 ] forces: - [ -0.0012309500000000, -0.0005279500000000, -0.0023795100000000 ] - [ 0.0006655100000000, 0.0004321400000000, -0.0007553900000000 ] - [ -0.0006138700000000, -0.0000104800000000, -0.0002331700000000 ] - [ -0.0004673500000000, 0.0001904400000000, 0.0001252700000000 ] - [ 0.0001180800000000, 0.0002454200000000, 0.0000696700000000 ] - [ -0.0010677900000000, -0.0001613700000000, 0.0002188500000000 ] - [ -0.0001502100000000, -0.0002250100000000, -0.0002147200000000 ] - [ -0.0000586000000000, 0.0001712400000000, 0.0002566500000000 ] - [ -0.0005105900000000, 0.0000293100000000, -0.0000095700000000 ] - [ 0.0000226700000000, 0.0000455700000000, -0.0000421400000000 ] - [ 0.0006287900000000, 0.0006575300000000, 0.0009490500000000 ] - [ -0.0001677500000000, -0.0005182400000000, 0.0006653600000000 ] - [ -0.0000442500000000, -0.0003361300000000, 0.0006909300000000 ] - [ 0.0009527100000000, 0.0003287500000000, 0.0008727900000000 ] - [ -0.0003828100000000, -0.0004067600000000, -0.0000558700000000 ] - [ -0.0000399700000000, -0.0008183400000000, -0.0001657800000000 ] - [ 0.0015657000000000, -0.0000077500000000, -0.0007727400000000 ] - [ -0.0000689300000000, -0.0003099900000000, 0.0002241900000000 ] - [ -0.0010089200000000, -0.0005636600000000, 0.0002679300000000 ] - [ 0.0001091500000000, 0.0004224100000000, 0.0001257700000000 ] - [ -0.0001975900000000, 0.0001108200000000, -0.0002732000000000 ] - [ -0.0023005900000000, 0.0002852200000000, 0.0008250300000000 ] - [ 0.0000871600000000, 0.0002722100000000, 0.0009029900000000 ] - [ -0.0044563800000000, 0.0061108900000000, 0.0029208500000000 ] - [ -0.0007971800000000, 0.0000006000000000, 0.0005999000000000 ] - [ -0.0027621400000000, -0.0004935200000000, 0.0004760000000000 ] - [ -0.0015920200000000, 0.0005024900000000, 0.0005708500000000 ] - [ 0.0014992400000000, 0.0006633600000000, -0.0004137700000000 ] - [ -0.0031197000000000, 0.0011834800000000, -0.0042053200000000 ] - [ -0.0021135600000000, 0.0040623900000000, 0.0007351100000000 ] - [ 0.0109479400000000, 0.0002474600000000, 0.0016070400000000 ] - [ 0.0043247900000000, 0.0006094400000000, -0.0018870400000000 ] - [ 0.0211850400000000, 0.0034316500000000, -0.0128828400000000 ] - [ -0.0014209700000000, -0.0041970800000000, 0.0002052100000000 ] - [ -0.0005112200000000, -0.0026326900000000, -0.0004276100000000 ] - [ -0.0001184000000000, -0.0009086100000000, 0.0010061000000000 ] - [ 0.0002740600000000, 0.0005053800000000, 0.0002016300000000 ] - [ 0.0010927300000000, -0.0010804600000000, 0.0012549100000000 ] - [ -0.0015962100000000, -0.0005412200000000, 0.0008125500000000 ] - [ -0.0385703000000000, -0.0098718900000000, 0.0269235700000000 ] - [ -0.0064783100000000, 0.0004295400000000, 0.0012266600000000 ] - [ 0.0002981600000000, 0.0002351600000000, 0.0001090300000000 ] - [ -0.0007074600000000, 0.0001342300000000, -0.0001268100000000 ] - [ 0.0002464100000000, 0.0008116700000000, 0.0004385600000000 ] - [ 0.0075625500000000, -0.0000948300000000, -0.0038992800000000 ] - [ -0.0002144100000000, 0.0000519700000000, -0.0000838900000000 ] - [ -0.0000292300000000, -0.0002355700000000, -0.0001619400000000 ] - [ 0.0007373300000000, 0.0003866500000000, -0.0001104000000000 ] - [ 0.0003783400000000, 0.0001525600000000, 0.0003653100000000 ] - [ 0.0011309400000000, -0.0009599000000000, -0.0000231500000000 ] - [ -0.0001803700000000, -0.0002574300000000, 0.0001886200000000 ] - [ -0.0000947600000000, -0.0002906700000000, 0.0001820100000000 ] - [ 0.0006457800000000, -0.0003470000000000, -0.0000916300000000 ] - [ 0.0015280500000000, 0.0002104800000000, -0.0005114000000000 ] - [ 0.0003105400000000, -0.0000550100000000, -0.0000838000000000 ] - [ 0.0006377700000000, -0.0012725700000000, -0.0003649800000000 ] - [ 0.0006908900000000, 0.0001494400000000, -0.0001261100000000 ] - [ 0.0003744200000000, -0.0001829400000000, -0.0002698000000000 ] - [ 0.0007847600000000, -0.0002264100000000, 0.0002045200000000 ] - [ 0.0004626700000000, 0.0000107700000000, 0.0000850300000000 ] - [ 0.0000333300000000, 0.0001018000000000, -0.0003397000000000 ] - [ 0.0001937600000000, -0.0000486300000000, 0.0000148700000000 ] - [ 0.0006364700000000, 0.0001657400000000, -0.0003429800000000 ] - [ 0.0005613700000000, -0.0005461200000000, -0.0000281600000000 ] - [ 0.0000418700000000, -0.0002304200000000, -0.0000689700000000 ] - [ 0.0000890800000000, -0.0000232900000000, 0.0000237100000000 ] - [ 0.0010276300000000, 0.0003127800000000, 0.0002153200000000 ] - [ -0.0003986400000000, -0.0000094100000000, 0.0001833500000000 ] - [ 0.0005102900000000, 0.0004954400000000, 0.0002133400000000 ] - [ 0.0003921000000000, 0.0004566300000000, -0.0006853600000000 ] - [ 0.0002802900000000, 0.0000822400000000, -0.0003765900000000 ] - [ 0.0002439200000000, -0.0002419900000000, 0.0001133600000000 ] - [ 0.0002037300000000, -0.0000563600000000, -0.0000207000000000 ] - [ 0.0007576600000000, 0.0002158100000000, -0.0000008300000000 ] - [ -0.0000481800000000, -0.0003081400000000, 0.0000129400000000 ] - [ 0.0002845300000000, -0.0008754700000000, -0.0001882000000000 ] - [ 0.0002076700000000, 0.0000721500000000, -0.0000513800000000 ] - [ -0.0004339900000000, -0.0011370800000000, 0.0001207800000000 ] - [ 0.0001881800000000, 0.0001479500000000, -0.0000844900000000 ] - [ -0.0002172900000000, 0.0001083800000000, -0.0000303900000000 ] - [ 0.0003512900000000, -0.0004007700000000, -0.0009686500000000 ] - [ -0.0000293700000000, -0.0002788400000000, 0.0005430200000000 ] - [ 0.0006890800000000, 0.0003349900000000, -0.0001845900000000 ] - [ -0.0033405100000000, 0.0029929700000000, 0.0000571100000000 ] - [ -0.0008835900000000, -0.0005519900000000, -0.0006910200000000 ] - [ -0.0019327200000000, -0.0026038800000000, 0.0049581400000000 ] - [ 0.0036412400000000, -0.0032417700000000, -0.0008626600000000 ] - [ 0.0001537800000000, 0.0005559700000000, -0.0001047700000000 ] - [ -0.0004307500000000, -0.0003131400000000, -0.0006212200000000 ] - [ 0.0015250300000000, -0.0048698200000000, -0.0011081100000000 ] - [ -0.0007465800000000, -0.0005828500000000, -0.0048273200000000 ] - [ -0.0008346600000000, -0.0000971700000000, -0.0077387900000000 ] - [ 0.0024723400000000, 0.0040731400000000, -0.0004706200000000 ] - [ -0.0030977500000000, -0.0034060700000000, -0.0005266900000000 ] - [ 0.0000072600000000, 0.0002928700000000, 0.0000386100000000 ] - [ 0.0010025900000000, -0.0027895600000000, -0.0034432000000000 ] - [ -0.0002648100000000, 0.0000836900000000, -0.0001130900000000 ] - [ -0.0006073000000000, 0.0005087600000000, 0.0000671600000000 ] - [ -0.0005188100000000, 0.0005514700000000, -0.0008797200000000 ] - [ 0.0001932700000000, -0.0000262600000000, 0.0002151600000000 ] - [ 0.0008154900000000, -0.0000751800000000, -0.0010946600000000 ] - [ 0.0002676700000000, 0.0001143900000000, -0.0002970900000000 ] - [ 0.0000947600000000, 0.0000258700000000, 0.0000933000000000 ] - [ 0.0081852000000000, 0.0008881900000000, 0.0030445800000000 ] - [ -0.0004109800000000, 0.0005020400000000, 0.0001815200000000 ] - [ -0.0000267000000000, 0.0004256500000000, 0.0004222900000000 ] - [ 0.0002013400000000, -0.0000459300000000, 0.0000043100000000 ] - [ -0.0015567900000000, 0.0059767700000000, 0.0029460400000000 ] - [ 0.0003242900000000, 0.0012684100000000, -0.0000758400000000 ] - [ 0.0000313500000000, 0.0046089800000000, -0.0001608900000000 ] - [ 0.0000141600000000, 0.0006467100000000, 0.0006596100000000 ] - [ 0.0003027300000000, 0.0002170900000000, -0.0003987600000000 ] - [ 0.0000132600000000, 0.0002758300000000, 0.0004063300000000 ] - [ 0.0024698900000000, 0.0023016200000000, -0.0008308300000000 ] - [ -0.0004497300000000, 0.0006443500000000, -0.0000882400000000 ] - [ -0.0001464600000000, 0.0004608500000000, -0.0004198900000000 ] - [ 0.0004301600000000, 0.0001588200000000, -0.0001027600000000 ] - [ -0.0000395400000000, 0.0000891900000000, -0.0005050800000000 ] - [ -0.0004456600000000, -0.0012981900000000, 0.0000104800000000 ] - [ -0.0003005500000000, -0.0001385600000000, -0.0004650400000000 ] - [ 0.0000414800000000, 0.0002611500000000, 0.0001595000000000 ] - [ 0.0002014900000000, -0.0001296100000000, 0.0002820200000000 ] - [ 0.0001505200000000, 0.0003693300000000, -0.0004909500000000 ] - [ 0.0006481000000000, 0.0004235400000000, -0.0002548000000000 ] - [ 0.0003375500000000, 0.0002300900000000, -0.0004249400000000 ] - [ 0.0000804600000000, -0.0008869900000000, -0.0011200700000000 ] - [ 0.0005113100000000, -0.0007401400000000, 0.0000010100000000 ] - [ 0.0006211200000000, -0.0000938300000000, 0.0000274900000000 ] - [ -0.0005394600000000, -0.0000019400000000, -0.0000929900000000 ] - [ 0.0004917600000000, -0.0000293600000000, 0.0001535500000000 ] - [ -0.0001535000000000, -0.0000686000000000, -0.0000340500000000 ] - [ -0.0002569500000000, -0.0008415000000000, 0.0007100600000000 ]- atom: 40 displacement: [ -0.0100000000000000, -0.0000000000065404, 0.0000000000000000 ] forces: - [ 0.0011662800000000, 0.0004438600000000, 0.0026338300000000 ] - [ -0.0007254800000000, -0.0005343200000000, 0.0004268700000000 ] - [ 0.0005571400000000, 0.0001144900000000, -0.0000957800000000 ] - [ 0.0004664400000000, -0.0001895500000000, 0.0004702000000000 ] - [ -0.0000109400000000, -0.0002700100000000, 0.0001863700000000 ] - [ 0.0010380700000000, 0.0002680800000000, 0.0000371000000000 ] - [ 0.0002715400000000, 0.0002243700000000, -0.0001145800000000 ] - [ -0.0000163800000000, -0.0002517200000000, -0.0000237000000000 ] - [ 0.0004479300000000, -0.0001393700000000, -0.0003211400000000 ] - [ -0.0000845900000000, 0.0000644800000000, -0.0002880700000000 ] - [ -0.0006336100000000, -0.0006590800000000, -0.0003672500000000 ] - [ 0.0002732300000000, 0.0004955600000000, -0.0004353100000000 ] - [ 0.0000125000000000, 0.0004417000000000, -0.0004601600000000 ] - [ -0.0008269900000000, -0.0003316600000000, -0.0012089600000000 ] - [ 0.0003100600000000, 0.0003293000000000, 0.0002941600000000 ] - [ -0.0000215200000000, 0.0007167000000000, -0.0001830400000000 ] - [ -0.0016320200000000, 0.0000971700000000, 0.0004167700000000 ] - [ 0.0000694000000000, 0.0003094500000000, 0.0003804900000000 ] - [ 0.0011143000000000, 0.0005362300000000, -0.0000279500000000 ] - [ -0.0001429400000000, -0.0003209200000000, 0.0001137000000000 ] - [ 0.0003210400000000, -0.0001123700000000, -0.0000758300000000 ] - [ 0.0010345800000000, 0.0002134500000000, -0.0003056000000000 ] - [ 0.0001121300000000, -0.0016195600000000, -0.0003808600000000 ] - [ 0.0052177800000000, -0.0051158600000000, -0.0018135900000000 ] - [ 0.0018650700000000, 0.0008529300000000, -0.0000774000000000 ] - [ 0.0032289900000000, -0.0006525000000000, 0.0006051100000000 ] - [ 0.0003749700000000, -0.0003287200000000, 0.0005096800000000 ] - [ -0.0027905400000000, -0.0001632600000000, 0.0009841100000000 ] - [ 0.0033108600000000, -0.0025498700000000, 0.0048139600000000 ] - [ 0.0028770200000000, -0.0031090200000000, 0.0002937300000000 ] - [ -0.0098789000000000, 0.0006333000000000, -0.0010722200000000 ] - [ -0.0038728800000000, -0.0017436500000000, 0.0029330100000000 ] - [ -0.0227004000000000, -0.0033928500000000, 0.0146139600000000 ] - [ 0.0001498800000000, 0.0047084700000000, 0.0003735100000000 ] - [ 0.0007154700000000, 0.0012855000000000, 0.0010061600000000 ] - [ 0.0008711500000000, 0.0018748800000000, 0.0000608800000000 ] - [ 0.0007890300000000, 0.0003424500000000, 0.0003739600000000 ] - [ -0.0006311900000000, -0.0000551400000000, -0.0001914400000000 ] - [ 0.0003919600000000, 0.0007060700000000, 0.0002568500000000 ] - [ 0.0390301100000000, 0.0099490700000000, -0.0277945800000000 ] - [ 0.0063103400000000, -0.0007070000000000, -0.0012191400000000 ] - [ -0.0000807200000000, -0.0000539300000000, -0.0001268900000000 ] - [ 0.0001138800000000, 0.0002989200000000, 0.0000637200000000 ] - [ -0.0004084800000000, -0.0008948500000000, -0.0003263200000000 ] - [ -0.0074316200000000, -0.0004296500000000, 0.0037174800000000 ] - [ -0.0000541700000000, 0.0000526000000000, 0.0000671100000000 ] - [ -0.0000741200000000, 0.0003889100000000, 0.0000282100000000 ] - [ -0.0000653100000000, -0.0000897200000000, 0.0000456200000000 ] - [ -0.0004150000000000, 0.0002115700000000, -0.0000587800000000 ] - [ -0.0006902200000000, 0.0009202500000000, -0.0008922500000000 ] - [ -0.0001171800000000, 0.0000358200000000, 0.0001151000000000 ] - [ 0.0002491200000000, 0.0001929900000000, -0.0000714300000000 ] - [ -0.0004599500000000, 0.0003627600000000, -0.0000405700000000 ] - [ -0.0018847400000000, 0.0002369600000000, -0.0003237500000000 ] - [ -0.0003945700000000, -0.0001139200000000, -0.0000488600000000 ] - [ -0.0008471800000000, 0.0007346400000000, -0.0004705400000000 ] - [ -0.0008463500000000, 0.0001403100000000, 0.0001404600000000 ] - [ -0.0006246100000000, -0.0001750200000000, -0.0006425700000000 ] - [ -0.0007855200000000, 0.0002259000000000, 0.0004549600000000 ] - [ -0.0001259000000000, -0.0001584300000000, 0.0002174500000000 ] - [ -0.0002212000000000, 0.0002913100000000, -0.0005723900000000 ] - [ 0.0002949600000000, 0.0003297800000000, -0.0000999900000000 ] - [ -0.0000691700000000, -0.0000756500000000, -0.0004916200000000 ] - [ -0.0006250500000000, 0.0005416700000000, -0.0002765300000000 ] - [ -0.0001226500000000, -0.0005056800000000, 0.0000058900000000 ] - [ 0.0002371400000000, 0.0000146600000000, -0.0000074700000000 ] - [ -0.0015217500000000, -0.0000280800000000, -0.0003050700000000 ] - [ 0.0004301000000000, 0.0000660400000000, -0.0004865200000000 ] - [ -0.0005076700000000, -0.0003178800000000, -0.0001021600000000 ] - [ -0.0003465900000000, -0.0007384500000000, 0.0006677300000000 ] - [ -0.0001889300000000, -0.0000601100000000, 0.0000498400000000 ] - [ -0.0004367600000000, -0.0000121100000000, 0.0000688900000000 ] - [ 0.0000624300000000, 0.0001790800000000, 0.0001092300000000 ] - [ -0.0013456800000000, 0.0002234200000000, -0.0001766600000000 ] - [ -0.0000847200000000, 0.0002636200000000, 0.0001942400000000 ] - [ -0.0002849400000000, 0.0003069800000000, -0.0000656200000000 ] - [ -0.0004512400000000, 0.0001034800000000, 0.0001408400000000 ] - [ 0.0003354000000000, 0.0012814000000000, -0.0002230300000000 ] - [ 0.0004857400000000, 0.0001376700000000, -0.0000939400000000 ] - [ 0.0002032100000000, 0.0003116900000000, 0.0003960400000000 ] - [ 0.0000575700000000, 0.0003302600000000, 0.0000841900000000 ] - [ -0.0003265100000000, 0.0000498600000000, -0.0001792200000000 ] - [ -0.0005881600000000, -0.0004304400000000, 0.0003921500000000 ] - [ 0.0035315200000000, -0.0029856800000000, -0.0001549600000000 ] - [ 0.0005439000000000, 0.0009925700000000, -0.0002045300000000 ] - [ 0.0018887300000000, 0.0024538900000000, -0.0051078000000000 ] - [ -0.0038557300000000, 0.0027335000000000, -0.0000358500000000 ] - [ -0.0002839800000000, -0.0002690700000000, 0.0002862600000000 ] - [ 0.0001614300000000, -0.0000046100000000, -0.0002621900000000 ] - [ -0.0015347200000000, 0.0049114900000000, 0.0015236000000000 ] - [ 0.0011329600000000, 0.0003917300000000, 0.0052243600000000 ] - [ 0.0006900000000000, 0.0004895900000000, 0.0068983000000000 ] - [ -0.0019885500000000, -0.0038008500000000, 0.0002160400000000 ] - [ 0.0036623800000000, 0.0034965600000000, -0.0003858200000000 ] - [ -0.0000320300000000, -0.0003902400000000, -0.0003658800000000 ] - [ -0.0011173000000000, 0.0020688700000000, 0.0032534900000000 ] - [ 0.0005808900000000, -0.0001130100000000, 0.0002977000000000 ] - [ 0.0001127600000000, -0.0002221400000000, -0.0003216900000000 ] - [ 0.0004549500000000, -0.0004839500000000, 0.0005556700000000 ] - [ -0.0001687800000000, 0.0001606600000000, -0.0000052500000000 ] - [ -0.0008457200000000, -0.0002180400000000, 0.0011790800000000 ] - [ -0.0002013500000000, -0.0001262300000000, 0.0002008200000000 ] - [ -0.0003341400000000, -0.0002325200000000, -0.0000729800000000 ] - [ -0.0080899900000000, -0.0007974100000000, -0.0032085700000000 ] - [ -0.0001846300000000, -0.0000707900000000, -0.0004374300000000 ] - [ -0.0000944800000000, -0.0004642800000000, -0.0004237600000000 ] - [ -0.0002035900000000, -0.0005274600000000, -0.0000403600000000 ] - [ 0.0012878600000000, -0.0058228300000000, -0.0031015800000000 ] - [ -0.0004293700000000, -0.0011273100000000, -0.0001827800000000 ] - [ 0.0006569900000000, -0.0043234200000000, -0.0001060600000000 ] - [ -0.0000279700000000, -0.0002238400000000, -0.0003864100000000 ] - [ 0.0001145100000000, -0.0002640700000000, -0.0002915000000000 ] - [ -0.0003751400000000, -0.0005067000000000, -0.0001320100000000 ] - [ -0.0024133000000000, -0.0024273700000000, 0.0008393900000000 ] - [ 0.0006294700000000, -0.0006237700000000, -0.0001688000000000 ] - [ -0.0001595400000000, -0.0000290900000000, -0.0003635900000000 ] - [ -0.0005022400000000, -0.0003225800000000, -0.0001543300000000 ] - [ -0.0001841500000000, -0.0005697500000000, -0.0002800300000000 ] - [ 0.0003742400000000, 0.0015999200000000, 0.0000075900000000 ] - [ 0.0000480100000000, -0.0001968300000000, -0.0002221400000000 ] - [ -0.0000422000000000, -0.0002606800000000, 0.0003267300000000 ] - [ 0.0001754800000000, -0.0000662700000000, -0.0000077500000000 ] - [ -0.0003187300000000, 0.0000155400000000, -0.0001999400000000 ] - [ -0.0001567400000000, -0.0001405200000000, 0.0002211800000000 ] - [ 0.0001883500000000, -0.0001757300000000, -0.0003596000000000 ] - [ -0.0001227200000000, 0.0008271100000000, 0.0010210800000000 ] - [ -0.0005930700000000, 0.0000069000000000, -0.0002543400000000 ] - [ -0.0003253700000000, 0.0000001100000000, -0.0000060100000000 ] - [ 0.0000469900000000, 0.0002906700000000, 0.0000572000000000 ] - [ -0.0005164400000000, 0.0000940800000000, -0.0002502800000000 ] - [ 0.0001835500000000, 0.0001915600000000, 0.0000352200000000 ] - [ 0.0002352700000000, 0.0005525800000000, -0.0008543000000000 ]- atom: 40 displacement: [ -0.0050000000104457, 0.0086602540318135, 0.0000000000000000 ] forces: - [ 0.0007491500000000, 0.0015371700000000, 0.0009972400000000 ] - [ 0.0005655400000000, -0.0014077800000000, 0.0006284900000000 ] - [ 0.0001280400000000, 0.0001416800000000, -0.0001600800000000 ] - [ 0.0003594500000000, -0.0000835000000000, 0.0003992100000000 ] - [ 0.0002778600000000, -0.0003864800000000, 0.0001092500000000 ] - [ 0.0000751000000000, 0.0002390100000000, 0.0001081700000000 ] - [ -0.0000232300000000, -0.0002481700000000, -0.0001623500000000 ] - [ 0.0001327200000000, -0.0002562700000000, 0.0001197800000000 ] - [ 0.0001465600000000, 0.0000097200000000, -0.0001745000000000 ] - [ 0.0000149100000000, -0.0002285900000000, -0.0001976500000000 ] - [ 0.0002385600000000, 0.0000369400000000, 0.0004454300000000 ] - [ -0.0000749900000000, 0.0002457400000000, 0.0001244100000000 ] - [ -0.0003704200000000, 0.0000047600000000, 0.0003691400000000 ] - [ -0.0001335700000000, 0.0005398400000000, 0.0000920100000000 ] - [ -0.0001643100000000, -0.0000267300000000, 0.0000636900000000 ] - [ -0.0002092500000000, -0.0005876700000000, -0.0000725300000000 ] - [ -0.0013427500000000, -0.0011436000000000, -0.0018266800000000 ] - [ -0.0001456700000000, -0.0002573900000000, 0.0002757300000000 ] - [ -0.0001681800000000, 0.0003037700000000, 0.0000133800000000 ] - [ 0.0001829600000000, -0.0004961200000000, 0.0000253900000000 ] - [ 0.0002429400000000, -0.0000712200000000, -0.0001560500000000 ] - [ -0.0002144500000000, 0.0008916100000000, 0.0003289200000000 ] - [ 0.0008723300000000, -0.0014923100000000, 0.0002249200000000 ] - [ 0.0049409500000000, 0.0004167700000000, -0.0024455000000000 ] - [ 0.0008319500000000, 0.0003468900000000, 0.0002806400000000 ] - [ 0.0013003300000000, -0.0002691400000000, 0.0004407600000000 ] - [ 0.0001911400000000, -0.0010314400000000, 0.0004904700000000 ] - [ 0.0008102300000000, -0.0015843800000000, 0.0007542400000000 ] - [ 0.0022884600000000, 0.0009498100000000, 0.0006529800000000 ] - [ 0.0027116100000000, 0.0002374600000000, -0.0002504500000000 ] - [ 0.0004549900000000, 0.0180165600000000, -0.0128905900000000 ] - [ -0.0001572000000000, -0.0035721000000000, -0.0023052500000000 ] - [ -0.0139091100000000, 0.0066104100000000, 0.0109959000000000 ] - [ -0.0029934200000000, -0.0009931700000000, 0.0012961300000000 ] - [ -0.0011694300000000, -0.0009704800000000, 0.0000723200000000 ] - [ -0.0002711900000000, -0.0001861000000000, 0.0006653700000000 ] - [ 0.0008528200000000, -0.0008354900000000, 0.0003993200000000 ] - [ 0.0000152100000000, -0.0014284700000000, 0.0003930900000000 ] - [ -0.0007358800000000, -0.0001298900000000, 0.0005579000000000 ] - [ 0.0107097400000000, -0.0257215100000000, 0.0073809000000000 ] - [ 0.0016939600000000, -0.0001149300000000, -0.0045828700000000 ] - [ 0.0002415300000000, 0.0000573000000000, 0.0000850700000000 ] - [ -0.0004112500000000, 0.0004125800000000, -0.0002370900000000 ] - [ 0.0000007300000000, -0.0004238800000000, 0.0000588900000000 ] - [ -0.0007280500000000, -0.0034247700000000, 0.0023945200000000 ] - [ -0.0001797300000000, 0.0003104400000000, 0.0000993500000000 ] - [ -0.0001974300000000, -0.0000173300000000, -0.0000927100000000 ] - [ 0.0002229700000000, 0.0000089400000000, -0.0000286300000000 ] - [ -0.0001920500000000, 0.0000796300000000, -0.0000381800000000 ] - [ -0.0009916600000000, 0.0002279900000000, -0.0002081200000000 ] - [ -0.0003641700000000, 0.0000836900000000, -0.0000560600000000 ] - [ 0.0000712500000000, 0.0004401300000000, -0.0000284200000000 ] - [ -0.0000562900000000, 0.0000584700000000, -0.0000788200000000 ] - [ -0.0009706800000000, -0.0000622300000000, -0.0003536000000000 ] - [ -0.0003012300000000, -0.0000546500000000, -0.0000696600000000 ] - [ -0.0008430700000000, 0.0003699200000000, -0.0003339000000000 ] - [ -0.0004249100000000, -0.0001163100000000, 0.0001092900000000 ] - [ -0.0002864400000000, -0.0002341200000000, -0.0004583500000000 ] - [ -0.0004687200000000, 0.0001143000000000, 0.0004077000000000 ] - [ 0.0000910300000000, -0.0000427500000000, 0.0001237300000000 ] - [ -0.0002029600000000, 0.0003836800000000, -0.0004768200000000 ] - [ 0.0001543900000000, 0.0007401200000000, 0.0000160500000000 ] - [ 0.0001985200000000, 0.0000866900000000, -0.0004199000000000 ] - [ -0.0003135300000000, -0.0001193100000000, -0.0002082500000000 ] - [ -0.0000051500000000, -0.0002269900000000, -0.0000144200000000 ] - [ 0.0000722900000000, 0.0007196700000000, 0.0001878100000000 ] - [ -0.0006496500000000, -0.0000899200000000, 0.0000045700000000 ] - [ -0.0002952700000000, 0.0005349500000000, -0.0003706200000000 ] - [ 0.0004362400000000, -0.0000537100000000, 0.0001275000000000 ] - [ 0.0002957500000000, 0.0000109200000000, -0.0003862100000000 ] - [ 0.0000330200000000, 0.0001130600000000, -0.0002062000000000 ] - [ -0.0002354100000000, -0.0000682100000000, 0.0000621800000000 ] - [ -0.0000712000000000, 0.0002588300000000, -0.0000796700000000 ] - [ -0.0007440200000000, 0.0001354400000000, -0.0001091300000000 ] - [ -0.0002368200000000, 0.0003963900000000, 0.0001809200000000 ] - [ -0.0003581300000000, 0.0001530500000000, -0.0001324000000000 ] - [ -0.0002112200000000, 0.0000666000000000, 0.0000640800000000 ] - [ -0.0003627900000000, 0.0001051800000000, -0.0001435700000000 ] - [ 0.0003618800000000, 0.0006871800000000, -0.0000983500000000 ] - [ -0.0001494500000000, 0.0003999800000000, 0.0000356400000000 ] - [ 0.0000432600000000, -0.0000157500000000, -0.0002531700000000 ] - [ -0.0004076400000000, -0.0002758100000000, -0.0000074500000000 ] - [ -0.0000212100000000, -0.0001658300000000, 0.0001216400000000 ] - [ -0.0006775300000000, 0.0010464900000000, -0.0003691500000000 ] - [ -0.0006394100000000, 0.0006271500000000, -0.0001450200000000 ] - [ -0.0031322700000000, -0.0015401500000000, -0.0035738600000000 ] - [ 0.0004490500000000, -0.0009005000000000, -0.0004453900000000 ] - [ 0.0001872500000000, 0.0004460000000000, -0.0000296300000000 ] - [ -0.0000645900000000, -0.0000237000000000, -0.0000557700000000 ] - [ -0.0035237900000000, 0.0026559900000000, 0.0030810000000000 ] - [ -0.0003601600000000, -0.0006032300000000, -0.0029760900000000 ] - [ 0.0002077400000000, 0.0000969400000000, 0.0002184500000000 ] - [ -0.0001646900000000, -0.0011668600000000, -0.0002978000000000 ] - [ 0.0005647500000000, -0.0003520600000000, 0.0011922000000000 ] - [ 0.0001077400000000, 0.0001115600000000, -0.0000690000000000 ] - [ -0.0006436800000000, -0.0029639900000000, 0.0029594000000000 ] - [ 0.0002673900000000, 0.0000960400000000, 0.0003599400000000 ] - [ 0.0004800500000000, 0.0000997100000000, 0.0000284400000000 ] - [ 0.0000687300000000, 0.0002113100000000, -0.0004404300000000 ] - [ 0.0000888600000000, -0.0002057700000000, -0.0000893500000000 ] - [ -0.0003076000000000, -0.0006050200000000, 0.0006357400000000 ] - [ -0.0000214700000000, 0.0000726200000000, -0.0000350200000000 ] - [ -0.0002679500000000, 0.0001402700000000, -0.0000269700000000 ] - [ -0.0006789100000000, -0.0014726600000000, 0.0000507400000000 ] - [ 0.0003459600000000, 0.0006717100000000, 0.0000337800000000 ] - [ 0.0002878500000000, -0.0007737100000000, -0.0000520700000000 ] - [ 0.0000159200000000, -0.0002565500000000, -0.0000185100000000 ] - [ 0.0025011900000000, 0.0060926500000000, 0.0011271900000000 ] - [ 0.0002245600000000, 0.0007076800000000, -0.0001075300000000 ] - [ 0.0036274700000000, 0.0030449600000000, -0.0026590000000000 ] - [ 0.0003693600000000, 0.0005218800000000, 0.0001298700000000 ] - [ 0.0003416000000000, 0.0000986700000000, -0.0003642900000000 ] - [ 0.0000705200000000, -0.0000181700000000, 0.0002282000000000 ] - [ 0.0021876200000000, 0.0019825800000000, -0.0004016600000000 ] - [ -0.0000178600000000, 0.0005173900000000, -0.0002020200000000 ] - [ 0.0001758100000000, 0.0003459400000000, -0.0003584200000000 ] - [ 0.0001780000000000, 0.0000307000000000, -0.0001355500000000 ] - [ 0.0000287800000000, -0.0001515500000000, -0.0004391300000000 ] - [ -0.0015094200000000, 0.0010910700000000, 0.0009842500000000 ] - [ -0.0000961700000000, 0.0001485200000000, -0.0000280200000000 ] - [ 0.0001480500000000, 0.0001822800000000, 0.0002216400000000 ] - [ 0.0001617100000000, 0.0000880600000000, 0.0001233300000000 ] - [ -0.0000707800000000, 0.0002349800000000, -0.0003537700000000 ] - [ 0.0003577800000000, -0.0000655500000000, -0.0000915500000000 ] - [ 0.0002987300000000, 0.0003551900000000, -0.0003830000000000 ] - [ -0.0002228100000000, 0.0003226100000000, 0.0005462500000000 ] - [ -0.0004219500000000, -0.0000420400000000, -0.0001593900000000 ] - [ 0.0000507500000000, -0.0001911100000000, 0.0000045500000000 ] - [ -0.0003347400000000, 0.0003292600000000, 0.0000040100000000 ] - [ -0.0001508200000000, -0.0000257100000000, -0.0000865600000000 ] - [ -0.0004484100000000, 0.0003369800000000, -0.0001088600000000 ] - [ -0.0002853700000000, 0.0000823700000000, -0.0000960800000000 ]- atom: 40 displacement: [ 0.0050000000104457, -0.0086602540318135, 0.0000000000000000 ] forces: - [ -0.0008181800000000, -0.0016264100000000, -0.0007435400000000 ] - [ -0.0006294600000000, 0.0013141100000000, -0.0009687700000000 ] - [ -0.0001853600000000, -0.0000372000000000, -0.0001689100000000 ] - [ -0.0003618800000000, 0.0000829500000000, 0.0001962800000000 ] - [ -0.0001703100000000, 0.0003626100000000, 0.0001464000000000 ] - [ -0.0001127100000000, -0.0001349400000000, 0.0001493000000000 ] - [ 0.0001439500000000, 0.0002457100000000, -0.0001673800000000 ] - [ -0.0002070500000000, 0.0001771000000000, 0.0001139800000000 ] - [ -0.0002106400000000, -0.0001190000000000, -0.0001549900000000 ] - [ -0.0000765100000000, 0.0003379900000000, -0.0001321900000000 ] - [ -0.0002400200000000, -0.0000333700000000, 0.0001432200000000 ] - [ 0.0001797800000000, -0.0002733000000000, 0.0001124200000000 ] - [ 0.0003376500000000, 0.0000996600000000, -0.0001346700000000 ] - [ 0.0002642200000000, -0.0005432000000000, -0.0004191400000000 ] - [ 0.0000919900000000, -0.0000536800000000, 0.0001735600000000 ] - [ 0.0001477200000000, 0.0004818400000000, -0.0002756300000000 ] - [ 0.0012961400000000, 0.0012495400000000, 0.0014848500000000 ] - [ 0.0001470900000000, 0.0002576000000000, 0.0003293300000000 ] - [ 0.0002731000000000, -0.0003277400000000, 0.0002246300000000 ] - [ -0.0002175400000000, 0.0006014900000000, 0.0002149200000000 ] - [ -0.0001194000000000, 0.0000713900000000, -0.0001935800000000 ] - [ -0.0010550100000000, -0.0003947700000000, 0.0001936600000000 ] - [ -0.0006759000000000, 0.0001470100000000, 0.0002985600000000 ] - [ -0.0042308200000000, 0.0005446900000000, 0.0035568700000000 ] - [ 0.0002288700000000, 0.0005003200000000, 0.0002424500000000 ] - [ -0.0008410400000000, -0.0008782900000000, 0.0006381200000000 ] - [ -0.0014136800000000, 0.0012011700000000, 0.0005909300000000 ] - [ -0.0020885500000000, 0.0020803000000000, -0.0001849100000000 ] - [ -0.0020906100000000, -0.0022923000000000, -0.0000970000000000 ] - [ -0.0019499700000000, 0.0007480500000000, 0.0012725400000000 ] - [ 0.0007643700000000, -0.0172164800000000, 0.0132996000000000 ] - [ 0.0006207500000000, 0.0024355200000000, 0.0033205700000000 ] - [ 0.0128289700000000, -0.0065425300000000, -0.0100486400000000 ] - [ 0.0017396900000000, 0.0014817100000000, -0.0007328500000000 ] - [ 0.0013693000000000, -0.0003729300000000, 0.0005006600000000 ] - [ 0.0010224400000000, 0.0011476500000000, 0.0004051300000000 ] - [ 0.0002091900000000, 0.0016901800000000, 0.0001724400000000 ] - [ 0.0004520000000000, 0.0002953400000000, 0.0006798300000000 ] - [ -0.0004701300000000, 0.0002955700000000, 0.0005130100000000 ] - [ -0.0109251300000000, 0.0257589100000000, -0.0074583000000000 ] - [ -0.0019066400000000, -0.0001400200000000, 0.0046341300000000 ] - [ -0.0000234400000000, 0.0001232200000000, -0.0001029700000000 ] - [ -0.0001823600000000, 0.0000205100000000, 0.0001738500000000 ] - [ -0.0001625300000000, 0.0003367800000000, 0.0000533000000000 ] - [ 0.0007259300000000, 0.0028851700000000, -0.0024854400000000 ] - [ -0.0000886100000000, -0.0002069700000000, -0.0001166700000000 ] - [ 0.0000953800000000, 0.0001723800000000, -0.0000414900000000 ] - [ 0.0004503700000000, 0.0002871300000000, -0.0000368600000000 ] - [ 0.0001546700000000, 0.0002851300000000, 0.0003430400000000 ] - [ 0.0014397300000000, -0.0002625300000000, -0.0007038400000000 ] - [ 0.0000681000000000, -0.0003055800000000, 0.0003610200000000 ] - [ 0.0000821400000000, -0.0005416300000000, 0.0001404100000000 ] - [ 0.0002438200000000, -0.0000429700000000, -0.0000534000000000 ] - [ 0.0006172000000000, 0.0005138300000000, -0.0004808000000000 ] - [ 0.0002205000000000, -0.0001135300000000, -0.0000628400000000 ] - [ 0.0006391800000000, -0.0009097000000000, -0.0005020900000000 ] - [ 0.0002727000000000, 0.0004028900000000, -0.0000951300000000 ] - [ 0.0000387100000000, -0.0001234200000000, -0.0004525700000000 ] - [ 0.0004719500000000, -0.0001139300000000, 0.0002514000000000 ] - [ 0.0002476700000000, -0.0001038400000000, 0.0001786500000000 ] - [ 0.0000162700000000, 0.0000096300000000, -0.0004344400000000 ] - [ 0.0003352100000000, -0.0004593400000000, -0.0001012600000000 ] - [ 0.0003708800000000, 0.0000061300000000, -0.0004142800000000 ] - [ 0.0002526400000000, 0.0001077800000000, -0.0000955900000000 ] - [ -0.0000753100000000, -0.0005075800000000, -0.0000487800000000 ] - [ 0.0002539900000000, -0.0007269600000000, -0.0001709400000000 ] - [ 0.0001628000000000, 0.0003751000000000, -0.0000906400000000 ] - [ 0.0003249500000000, -0.0004770000000000, 0.0000683900000000 ] - [ -0.0004332100000000, 0.0002360900000000, -0.0000156900000000 ] - [ -0.0002495600000000, -0.0002897400000000, 0.0003673700000000 ] - [ 0.0000591500000000, -0.0000919600000000, -0.0001205900000000 ] - [ 0.0000442100000000, -0.0001873200000000, 0.0001201100000000 ] - [ 0.0003385100000000, -0.0001364300000000, 0.0001679400000000 ] - [ 0.0001601300000000, 0.0003028100000000, -0.0000676200000000 ] - [ 0.0001043000000000, -0.0004415500000000, 0.0000261300000000 ] - [ 0.0003594400000000, -0.0007252600000000, -0.0001217200000000 ] - [ -0.0000309800000000, 0.0001096300000000, 0.0000257800000000 ] - [ 0.0002600200000000, 0.0000324500000000, 0.0000416100000000 ] - [ 0.0003119600000000, -0.0004007900000000, -0.0000803100000000 ] - [ 0.0001347200000000, 0.0000193900000000, 0.0003286000000000 ] - [ 0.0003669900000000, -0.0000584300000000, -0.0006331200000000 ] - [ 0.0000509300000000, 0.0000457300000000, 0.0003723100000000 ] - [ 0.0001259600000000, 0.0000724200000000, 0.0000837500000000 ] - [ 0.0008701200000000, -0.0010384200000000, 0.0002636600000000 ] - [ 0.0002950900000000, -0.0001883200000000, -0.0007490800000000 ] - [ 0.0030600000000000, 0.0013599200000000, 0.0034485700000000 ] - [ -0.0006257400000000, 0.0003596900000000, -0.0004529900000000 ] - [ -0.0003161200000000, -0.0001576800000000, 0.0002099300000000 ] - [ -0.0002051400000000, -0.0002957200000000, -0.0008264100000000 ] - [ 0.0034595300000000, -0.0026118700000000, -0.0026251900000000 ] - [ 0.0007308700000000, 0.0004170200000000, 0.0033507900000000 ] - [ -0.0003540600000000, 0.0002947000000000, -0.0011462300000000 ] - [ 0.0006666000000000, 0.0014779200000000, 0.0000453800000000 ] - [ -0.0000184100000000, 0.0004114200000000, -0.0020814000000000 ] - [ -0.0001318700000000, -0.0002087100000000, -0.0002582000000000 ] - [ 0.0005578500000000, 0.0022483100000000, -0.0031692500000000 ] - [ 0.0000471100000000, -0.0001255600000000, -0.0001812400000000 ] - [ -0.0009731200000000, 0.0001843100000000, -0.0002814800000000 ] - [ -0.0001352300000000, -0.0001408800000000, 0.0001143500000000 ] - [ -0.0000633800000000, 0.0003395400000000, 0.0002960600000000 ] - [ 0.0002816700000000, 0.0003148900000000, -0.0005528900000000 ] - [ 0.0000896800000000, -0.0000833200000000, -0.0000630500000000 ] - [ 0.0000298600000000, -0.0003459700000000, 0.0000476600000000 ] - [ 0.0009638000000000, 0.0015921200000000, -0.0001733300000000 ] - [ -0.0009388500000000, -0.0002378100000000, -0.0002868400000000 ] - [ -0.0004146200000000, 0.0007408100000000, 0.0000543900000000 ] - [ -0.0000178000000000, -0.0003150400000000, -0.0000179400000000 ] - [ -0.0026875000000000, -0.0058402200000000, -0.0012642800000000 ] - [ -0.0003291700000000, -0.0005648200000000, -0.0001503800000000 ] - [ -0.0029961100000000, -0.0027690800000000, 0.0024359400000000 ] - [ -0.0003866800000000, -0.0000996600000000, 0.0001490500000000 ] - [ 0.0000761100000000, -0.0001448600000000, -0.0003266200000000 ] - [ -0.0004304400000000, -0.0002128700000000, 0.0000483300000000 ] - [ -0.0021138400000000, -0.0020793000000000, 0.0004059200000000 ] - [ 0.0001954500000000, -0.0004966600000000, -0.0000536400000000 ] - [ -0.0004832200000000, 0.0000858500000000, -0.0004261100000000 ] - [ -0.0002493200000000, -0.0001951500000000, -0.0001212100000000 ] - [ -0.0002511900000000, -0.0003286100000000, -0.0003465700000000 ] - [ 0.0014631200000000, -0.0008018900000000, -0.0009773200000000 ] - [ -0.0001563600000000, -0.0004874600000000, -0.0006639900000000 ] - [ -0.0001488100000000, -0.0001821100000000, 0.0002640800000000 ] - [ 0.0002155400000000, -0.0002854500000000, 0.0001524300000000 ] - [ -0.0000967600000000, 0.0001490300000000, -0.0003368800000000 ] - [ 0.0001352500000000, 0.0003476500000000, 0.0000572200000000 ] - [ 0.0002270000000000, -0.0003025000000000, -0.0004020600000000 ] - [ 0.0001839700000000, -0.0003847500000000, -0.0006494200000000 ] - [ 0.0003425700000000, -0.0006943300000000, -0.0000937600000000 ] - [ 0.0002461200000000, 0.0000968100000000, 0.0000171900000000 ] - [ -0.0001573300000000, -0.0000411200000000, -0.0000410100000000 ] - [ 0.0001280400000000, 0.0000897700000000, -0.0000092700000000 ] - [ 0.0004785900000000, -0.0002152500000000, 0.0001098100000000 ] - [ 0.0002613800000000, -0.0003744100000000, -0.0000441800000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0026670800000000, -0.0010483700000000, 0.0011854200000000 ] - [ -0.0012886700000000, 0.0012564000000000, 0.0004790000000000 ] - [ 0.0003145400000000, 0.0000737400000000, -0.0000131600000000 ] - [ 0.0000749100000000, -0.0000397300000000, 0.0004739700000000 ] - [ -0.0000646800000000, -0.0001551800000000, 0.0002821300000000 ] - [ 0.0011832300000000, 0.0001941300000000, 0.0004181500000000 ] - [ 0.0003070800000000, 0.0002067300000000, -0.0000528000000000 ] - [ -0.0001187600000000, -0.0001338500000000, -0.0002033700000000 ] - [ 0.0002807400000000, -0.0001240300000000, -0.0006446600000000 ] - [ -0.0000721500000000, 0.0001732900000000, -0.0005490100000000 ] - [ -0.0007713200000000, -0.0006127100000000, -0.0018764200000000 ] - [ 0.0004904100000000, 0.0004073000000000, -0.0014000700000000 ] - [ 0.0002690100000000, 0.0005845800000000, -0.0015292600000000 ] - [ -0.0008674500000000, -0.0007445800000000, -0.0033959500000000 ] - [ 0.0001755700000000, 0.0000448200000000, 0.0003949900000000 ] - [ 0.0001045100000000, 0.0012900400000000, 0.0001068500000000 ] - [ -0.0013258300000000, -0.0022388000000000, 0.0004525700000000 ] - [ 0.0001079700000000, 0.0003093100000000, 0.0004756500000000 ] - [ 0.0014780900000000, 0.0003357700000000, 0.0003489000000000 ] - [ -0.0001792300000000, -0.0001647800000000, 0.0002357000000000 ] - [ 0.0000883000000000, 0.0000377400000000, -0.0000159100000000 ] - [ 0.0003655400000000, -0.0001236800000000, -0.0018625800000000 ] - [ -0.0003310400000000, -0.0010677500000000, -0.0012701400000000 ] - [ 0.0058639200000000, -0.0052786100000000, 0.0025975300000000 ] - [ 0.0015989800000000, 0.0008440000000000, -0.0006061400000000 ] - [ 0.0018221000000000, -0.0008528200000000, 0.0009072900000000 ] - [ 0.0000071800000000, 0.0002460500000000, 0.0007556000000000 ] - [ -0.0042866500000000, 0.0027635000000000, 0.0019415500000000 ] - [ -0.0058661300000000, -0.0028533100000000, 0.0048154300000000 ] - [ 0.0034043200000000, -0.0039521800000000, 0.0018604100000000 ] - [ -0.0038123500000000, -0.0064411900000000, 0.0199210000000000 ] - [ -0.0023734200000000, -0.0064058300000000, 0.0045595900000000 ] - [ -0.0117790600000000, -0.0046276200000000, 0.0244903400000000 ] - [ 0.0014327600000000, 0.0065261700000000, 0.0014653700000000 ] - [ 0.0003789800000000, 0.0003763300000000, 0.0013926800000000 ] - [ 0.0011646700000000, 0.0021773900000000, -0.0006958200000000 ] - [ 0.0006250800000000, 0.0009901500000000, 0.0004953200000000 ] - [ -0.0003659000000000, 0.0002289400000000, -0.0014570500000000 ] - [ 0.0003570200000000, 0.0007473300000000, -0.0002750600000000 ] - [ 0.0277565700000000, 0.0240389200000000, -0.0761075600000000 ] - [ 0.0064232200000000, -0.0051614300000000, 0.0079879400000000 ] - [ 0.0000602800000000, 0.0000070100000000, 0.0001174600000000 ] - [ 0.0002177700000000, -0.0000933800000000, 0.0005539700000000 ] - [ -0.0000952600000000, -0.0002403500000000, -0.0005137600000000 ] - [ -0.0071408900000000, 0.0021882500000000, -0.0018024700000000 ] - [ -0.0000761300000000, -0.0000810400000000, 0.0001448400000000 ] - [ 0.0000712400000000, 0.0003294700000000, 0.0002615800000000 ] - [ 0.0000460100000000, 0.0000530800000000, 0.0001520200000000 ] - [ 0.0000937600000000, 0.0002116500000000, 0.0005576600000000 ] - [ 0.0005683200000000, 0.0002051900000000, -0.0025029800000000 ] - [ 0.0000944900000000, -0.0001772700000000, 0.0004527100000000 ] - [ 0.0002526000000000, -0.0001520000000000, -0.0001380800000000 ] - [ -0.0002739600000000, 0.0002640400000000, 0.0000487500000000 ] - [ -0.0014864200000000, 0.0002581600000000, -0.0005812100000000 ] - [ -0.0002083800000000, -0.0001236600000000, 0.0000109900000000 ] - [ -0.0006076700000000, 0.0005402800000000, -0.0006698200000000 ] - [ -0.0009570000000000, 0.0002146700000000, 0.0000768800000000 ] - [ -0.0004534700000000, -0.0001568800000000, -0.0009171400000000 ] - [ -0.0006258600000000, 0.0002240800000000, 0.0004440200000000 ] - [ -0.0000711500000000, -0.0001688200000000, 0.0003217000000000 ] - [ -0.0001641500000000, 0.0002154900000000, -0.0007674700000000 ] - [ 0.0003188000000000, -0.0001829600000000, -0.0003006400000000 ] - [ 0.0000517900000000, 0.0000082600000000, -0.0005413100000000 ] - [ -0.0002497100000000, -0.0002661000000000, -0.0015716400000000 ] - [ -0.0001209300000000, -0.0005323700000000, 0.0000910500000000 ] - [ 0.0001493900000000, 0.0003909100000000, 0.0001017400000000 ] - [ -0.0003584200000000, 0.0004453900000000, -0.0005908900000000 ] - [ -0.0000512000000000, 0.0001328700000000, -0.0015671100000000 ] - [ -0.0009010800000000, -0.0002204300000000, -0.0004345100000000 ] - [ -0.0005787100000000, -0.0009895400000000, 0.0010628800000000 ] - [ -0.0002022300000000, -0.0001165800000000, 0.0001663500000000 ] - [ -0.0002695600000000, -0.0000865900000000, 0.0001823200000000 ] - [ 0.0001904200000000, 0.0000545100000000, 0.0002983200000000 ] - [ -0.0001741700000000, 0.0001837100000000, -0.0000235800000000 ] - [ -0.0000217700000000, 0.0000597000000000, 0.0002440700000000 ] - [ -0.0002327300000000, 0.0002395400000000, -0.0000480400000000 ] - [ -0.0002986100000000, 0.0002382100000000, 0.0003291700000000 ] - [ 0.0008744500000000, 0.0001094900000000, -0.0002710600000000 ] - [ 0.0004108600000000, -0.0004137800000000, -0.0000956500000000 ] - [ 0.0003499700000000, 0.0000385800000000, 0.0007848600000000 ] - [ 0.0000350400000000, 0.0004282200000000, 0.0003775800000000 ] - [ 0.0003311200000000, 0.0001044900000000, 0.0011268700000000 ] - [ -0.0006367800000000, -0.0003857200000000, 0.0005535000000000 ] - [ 0.0060117400000000, -0.0063934600000000, -0.0001987600000000 ] - [ 0.0001869100000000, 0.0009563800000000, -0.0002931100000000 ] - [ 0.0134977100000000, -0.0000283700000000, 0.0064290100000000 ] - [ -0.0075795600000000, 0.0055472100000000, 0.0002786500000000 ] - [ -0.0004574900000000, -0.0005401700000000, 0.0005145000000000 ] - [ 0.0001143000000000, 0.0004166200000000, 0.0005866400000000 ] - [ -0.0016316500000000, 0.0048359700000000, -0.0014283800000000 ] - [ 0.0019011800000000, 0.0009415000000000, 0.0106803800000000 ] - [ 0.0005981400000000, 0.0007980500000000, 0.0103876000000000 ] - [ -0.0040591600000000, -0.0067858900000000, 0.0005585000000000 ] - [ 0.0022017600000000, 0.0094067300000000, 0.0033767100000000 ] - [ -0.0000512600000000, -0.0002600600000000, -0.0001109100000000 ] - [ -0.0054614400000000, 0.0055630300000000, 0.0047209700000000 ] - [ 0.0004493900000000, 0.0001938000000000, 0.0009558500000000 ] - [ 0.0004239300000000, 0.0006242100000000, -0.0002906900000000 ] - [ 0.0004410000000000, -0.0009298100000000, 0.0009825700000000 ] - [ 0.0002716600000000, 0.0003349300000000, 0.0009382700000000 ] - [ -0.0012367100000000, -0.0000810700000000, 0.0012807200000000 ] - [ -0.0001793600000000, -0.0001783000000000, 0.0002827700000000 ] - [ -0.0002514600000000, -0.0003335700000000, -0.0001600500000000 ] - [ -0.0039065700000000, 0.0004019500000000, -0.0076697800000000 ] - [ -0.0000975500000000, 0.0001572500000000, -0.0006911500000000 ] - [ 0.0004414700000000, 0.0005248500000000, -0.0000364100000000 ] - [ -0.0001606200000000, -0.0004796700000000, 0.0001088100000000 ] - [ 0.0006903200000000, -0.0037475600000000, -0.0086270900000000 ] - [ -0.0005475000000000, -0.0013147500000000, -0.0002690800000000 ] - [ -0.0009204500000000, -0.0065331000000000, -0.0017351400000000 ] - [ -0.0000423800000000, -0.0000949800000000, -0.0012050800000000 ] - [ 0.0000438000000000, -0.0002934600000000, -0.0001471900000000 ] - [ -0.0004883900000000, -0.0005233900000000, -0.0006481000000000 ] - [ -0.0074683400000000, -0.0071984800000000, 0.0021709200000000 ] - [ 0.0007607100000000, -0.0009727500000000, -0.0002253900000000 ] - [ -0.0002662100000000, 0.0000035700000000, -0.0002127900000000 ] - [ -0.0003832000000000, -0.0003155300000000, -0.0001857400000000 ] - [ -0.0003146500000000, -0.0006545800000000, -0.0001496500000000 ] - [ 0.0002642500000000, 0.0014605100000000, -0.0010095800000000 ] - [ -0.0000394400000000, 0.0000114200000000, 0.0000892900000000 ] - [ -0.0000967600000000, -0.0003379700000000, 0.0004445600000000 ] - [ 0.0002003000000000, -0.0001476300000000, -0.0001949400000000 ] - [ -0.0003303500000000, -0.0000191100000000, -0.0001061300000000 ] - [ -0.0003125300000000, 0.0000613100000000, 0.0004665400000000 ] - [ 0.0001981300000000, -0.0002795200000000, -0.0002913000000000 ] - [ -0.0002980000000000, 0.0009594000000000, 0.0011008700000000 ] - [ -0.0005147700000000, -0.0001197000000000, -0.0003917600000000 ] - [ -0.0001847100000000, -0.0000155500000000, -0.0001288600000000 ] - [ 0.0000300900000000, 0.0001515900000000, 0.0001902500000000 ] - [ -0.0003084800000000, 0.0000947100000000, 0.0000071300000000 ] - [ 0.0006255800000000, -0.0000709000000000, 0.0001472300000000 ] - [ 0.0004715500000000, 0.0006203500000000, -0.0015040100000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0026231900000000, 0.0009761500000000, -0.0008882900000000 ] - [ 0.0012290000000000, -0.0013700100000000, -0.0007925500000000 ] - [ -0.0003689700000000, 0.0000312800000000, -0.0003154600000000 ] - [ -0.0000711600000000, 0.0000379200000000, 0.0001247000000000 ] - [ 0.0001730100000000, 0.0001292000000000, -0.0000262200000000 ] - [ -0.0012129500000000, -0.0000879300000000, -0.0001564000000000 ] - [ -0.0001855300000000, -0.0002083900000000, -0.0002766700000000 ] - [ 0.0000460000000000, 0.0000516300000000, 0.0004368900000000 ] - [ -0.0003403400000000, 0.0000139500000000, 0.0003127500000000 ] - [ 0.0000110300000000, -0.0000671800000000, 0.0002199100000000 ] - [ 0.0007770400000000, 0.0006057500000000, 0.0024632700000000 ] - [ -0.0003811700000000, -0.0004253300000000, 0.0016258500000000 ] - [ -0.0003080800000000, -0.0004850800000000, 0.0017712500000000 ] - [ 0.0009868700000000, 0.0007511100000000, 0.0030623500000000 ] - [ -0.0002490700000000, -0.0001254500000000, -0.0001586700000000 ] - [ -0.0001666000000000, -0.0014012500000000, -0.0004613500000000 ] - [ 0.0012546600000000, 0.0023143400000000, -0.0008388000000000 ] - [ -0.0001086000000000, -0.0003115600000000, 0.0001286300000000 ] - [ -0.0013763600000000, -0.0003552900000000, -0.0001166600000000 ] - [ 0.0001463700000000, 0.0002608800000000, 0.0000014400000000 ] - [ 0.0000363700000000, -0.0000383300000000, -0.0003349500000000 ] - [ -0.0016374500000000, 0.0006244500000000, 0.0023853600000000 ] - [ 0.0005322000000000, -0.0002800200000000, 0.0017882500000000 ] - [ -0.0050725300000000, 0.0062468700000000, -0.0015811000000000 ] - [ -0.0005299900000000, 0.0000087600000000, 0.0011234100000000 ] - [ -0.0013473000000000, -0.0002881700000000, 0.0001685100000000 ] - [ -0.0012142600000000, -0.0000900800000000, 0.0003207800000000 ] - [ 0.0030251000000000, -0.0022900800000000, -0.0013930500000000 ] - [ 0.0060666500000000, 0.0015276500000000, -0.0042961900000000 ] - [ -0.0026503900000000, 0.0048977600000000, -0.0008086700000000 ] - [ 0.0053497200000000, 0.0083667700000000, -0.0207062800000000 ] - [ 0.0028276500000000, 0.0052776800000000, -0.0034740000000000 ] - [ 0.0093287100000000, 0.0044889000000000, -0.0218935400000000 ] - [ -0.0027156900000000, -0.0060191300000000, -0.0008676500000000 ] - [ -0.0001737400000000, -0.0017099900000000, -0.0008163700000000 ] - [ -0.0004200700000000, -0.0012184600000000, 0.0017664400000000 ] - [ 0.0004344500000000, -0.0001449800000000, 0.0000790900000000 ] - [ 0.0008266900000000, -0.0013556700000000, 0.0025184500000000 ] - [ -0.0015630900000000, -0.0005852000000000, 0.0013481700000000 ] - [ -0.0269707200000000, -0.0246901500000000, 0.0756656900000000 ] - [ -0.0064991000000000, 0.0048013700000000, -0.0078683800000000 ] - [ 0.0001567400000000, 0.0001733000000000, -0.0001378700000000 ] - [ -0.0008092400000000, 0.0005235600000000, -0.0006183800000000 ] - [ -0.0000699200000000, 0.0001458200000000, 0.0006245400000000 ] - [ 0.0071581100000000, -0.0027874100000000, 0.0017809600000000 ] - [ -0.0001914300000000, 0.0001848600000000, -0.0001631400000000 ] - [ -0.0001737300000000, -0.0001769400000000, -0.0003953100000000 ] - [ 0.0006265100000000, 0.0002422200000000, -0.0002188500000000 ] - [ -0.0001344800000000, 0.0001529800000000, -0.0002600600000000 ] - [ -0.0001509100000000, -0.0002308900000000, 0.0015954100000000 ] - [ -0.0003931400000000, -0.0000437000000000, -0.0001535600000000 ] - [ -0.0000962500000000, 0.0000571700000000, 0.0002473100000000 ] - [ 0.0004592600000000, -0.0002474900000000, -0.0001807000000000 ] - [ 0.0011195300000000, 0.0001890000000000, -0.0002514600000000 ] - [ 0.0001241700000000, -0.0000453300000000, -0.0001432700000000 ] - [ 0.0003907000000000, -0.0010708600000000, -0.0001641400000000 ] - [ 0.0007975600000000, 0.0000742700000000, -0.0000643100000000 ] - [ 0.0002028400000000, -0.0002009900000000, 0.0000053600000000 ] - [ 0.0006214800000000, -0.0002225500000000, 0.0002157000000000 ] - [ 0.0004082100000000, 0.0000213900000000, -0.0000214700000000 ] - [ -0.0000246900000000, 0.0001787800000000, -0.0001435600000000 ] - [ 0.0001693000000000, 0.0004704600000000, 0.0002174900000000 ] - [ 0.0005157900000000, 0.0000843200000000, -0.0002932800000000 ] - [ 0.0001895300000000, 0.0002542100000000, 0.0012652700000000 ] - [ 0.0000395600000000, -0.0002023400000000, -0.0001554400000000 ] - [ 0.0001768800000000, -0.0003973300000000, -0.0000868800000000 ] - [ -0.0001314500000000, -0.0001624100000000, 0.0005052200000000 ] - [ 0.0000845700000000, -0.0000767000000000, 0.0012698000000000 ] - [ 0.0009036500000000, 0.0003998900000000, 0.0005426500000000 ] - [ 0.0006252000000000, 0.0007076600000000, -0.0010828500000000 ] - [ 0.0002951500000000, 0.0001385100000000, -0.0004954300000000 ] - [ 0.0000776300000000, -0.0001682600000000, -0.0000002700000000 ] - [ 0.0000746800000000, 0.0000695000000000, -0.0002092500000000 ] - [ -0.0004149500000000, 0.0002538400000000, -0.0001526000000000 ] - [ -0.0001125400000000, -0.0001029000000000, -0.0000379800000000 ] - [ 0.0002310800000000, -0.0008067300000000, -0.0002068100000000 ] - [ 0.0000547600000000, -0.0000618300000000, -0.0002368800000000 ] - [ -0.0009807800000000, 0.0000286900000000, 0.0001734300000000 ] - [ 0.0002631700000000, 0.0007068600000000, -0.0000821400000000 ] - [ -0.0003679800000000, 0.0003861800000000, -0.0004202800000000 ] - [ 0.0003704500000000, -0.0004962200000000, -0.0012653700000000 ] - [ -0.0006945500000000, -0.0003372300000000, -0.0007559500000000 ] - [ 0.0007362800000000, 0.0002887700000000, -0.0003464300000000 ] - [ -0.0058799200000000, 0.0064544400000000, 0.0001071100000000 ] - [ -0.0005271700000000, -0.0005201600000000, -0.0006079500000000 ] - [ -0.0137338200000000, -0.0001217600000000, -0.0066189000000000 ] - [ 0.0073039800000000, -0.0060057300000000, -0.0011716900000000 ] - [ 0.0003296600000000, 0.0008318000000000, -0.0003357900000000 ] - [ -0.0003830900000000, -0.0007279600000000, -0.0014785800000000 ] - [ 0.0016575300000000, -0.0048397200000000, 0.0017852700000000 ] - [ -0.0015328500000000, -0.0011482200000000, -0.0103606500000000 ] - [ -0.0007281700000000, -0.0004075700000000, -0.0112222400000000 ] - [ 0.0045130700000000, 0.0069992300000000, -0.0008078800000000 ] - [ -0.0016272600000000, -0.0092299500000000, -0.0042264300000000 ] - [ 0.0000264100000000, 0.0001613200000000, -0.0002201200000000 ] - [ 0.0054390800000000, -0.0063720800000000, -0.0049481800000000 ] - [ -0.0001339200000000, -0.0002285000000000, -0.0007691900000000 ] - [ -0.0009136200000000, -0.0003411800000000, 0.0000309700000000 ] - [ -0.0005044900000000, 0.0009964200000000, -0.0013100100000000 ] - [ -0.0002400300000000, -0.0002017800000000, -0.0007367100000000 ] - [ 0.0012098900000000, -0.0002163600000000, -0.0011861700000000 ] - [ 0.0002461000000000, 0.0001670900000000, -0.0003789400000000 ] - [ 0.0000118900000000, 0.0001293800000000, 0.0001808100000000 ] - [ 0.0042170000000000, -0.0002736000000000, 0.0074873900000000 ] - [ -0.0004970000000000, 0.0002723700000000, 0.0004350400000000 ] - [ -0.0005627200000000, -0.0005673000000000, 0.0000418300000000 ] - [ 0.0001572300000000, -0.0000925200000000, -0.0001447400000000 ] - [ -0.0009508000000000, 0.0038376700000000, 0.0085341800000000 ] - [ 0.0004425700000000, 0.0014562200000000, 0.0000110700000000 ] - [ 0.0016211900000000, 0.0068211200000000, 0.0014255700000000 ] - [ 0.0000302500000000, 0.0005224100000000, 0.0014750700000000 ] - [ 0.0003745000000000, 0.0002486100000000, -0.0005422900000000 ] - [ 0.0001280300000000, 0.0002913900000000, 0.0009270400000000 ] - [ 0.0076295400000000, 0.0071608000000000, -0.0021908400000000 ] - [ -0.0005796000000000, 0.0009950800000000, -0.0000319800000000 ] - [ -0.0000385800000000, 0.0004279700000000, -0.0005705800000000 ] - [ 0.0003118700000000, 0.0001509000000000, -0.0000707000000000 ] - [ 0.0000944100000000, 0.0001751000000000, -0.0006373500000000 ] - [ -0.0003485100000000, -0.0011460000000000, 0.0010443600000000 ] - [ -0.0002119400000000, -0.0003452800000000, -0.0007715400000000 ] - [ 0.0000972500000000, 0.0003383800000000, 0.0000389700000000 ] - [ 0.0001779900000000, -0.0000478500000000, 0.0004691200000000 ] - [ 0.0001629600000000, 0.0004031400000000, -0.0005837100000000 ] - [ 0.0008081700000000, 0.0002186600000000, -0.0005025200000000 ] - [ 0.0003282300000000, 0.0003344400000000, -0.0004934800000000 ] - [ 0.0002576700000000, -0.0010180900000000, -0.0011916300000000 ] - [ 0.0004320400000000, -0.0006142100000000, 0.0001375700000000 ] - [ 0.0004799200000000, -0.0000791900000000, 0.0001508000000000 ] - [ -0.0005215100000000, 0.0001375600000000, -0.0002258300000000 ] - [ 0.0002846700000000, -0.0000305300000000, -0.0001020400000000 ] - [ -0.0006017100000000, 0.0001967800000000, -0.0001473500000000 ] - [ -0.0004946600000000, -0.0009115400000000, 0.0013646300000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000065404, 0.0000000000000000 ] forces: - [ 0.0019146500000000, -0.0012133800000000, 0.0005382000000000 ] - [ 0.0020379600000000, 0.0006631300000000, 0.0003132100000000 ] - [ -0.0009751000000000, -0.0001843700000000, -0.0000606500000000 ] - [ -0.0015183500000000, 0.0004074500000000, 0.0004250800000000 ] - [ -0.0002735200000000, 0.0008068700000000, 0.0002269800000000 ] - [ -0.0015475300000000, -0.0002802000000000, 0.0000745200000000 ] - [ -0.0002668000000000, -0.0000505500000000, -0.0001706600000000 ] - [ -0.0002159300000000, 0.0005198700000000, 0.0001983800000000 ] - [ -0.0008777900000000, 0.0000245400000000, 0.0000706100000000 ] - [ -0.0001471100000000, 0.0003990400000000, -0.0000963600000000 ] - [ 0.0003146100000000, 0.0010341600000000, 0.0010937500000000 ] - [ -0.0003532400000000, -0.0010337000000000, 0.0011515700000000 ] - [ 0.0004823200000000, -0.0006218300000000, -0.0000648400000000 ] - [ 0.0030956600000000, -0.0005920100000000, -0.0027333300000000 ] - [ -0.0004629700000000, -0.0003791500000000, -0.0001064100000000 ] - [ 0.0000781300000000, -0.0000965500000000, -0.0002143000000000 ] - [ 0.0011329900000000, -0.0003657500000000, -0.0008899600000000 ] - [ 0.0001350600000000, -0.0002777600000000, 0.0001927500000000 ] - [ -0.0001052100000000, -0.0003978700000000, 0.0002611100000000 ] - [ 0.0000716200000000, 0.0006100900000000, 0.0002597300000000 ] - [ -0.0003033700000000, 0.0001763700000000, -0.0002800700000000 ] - [ -0.0053915400000000, -0.0011399900000000, -0.0024973100000000 ] - [ -0.0020860900000000, 0.0029121400000000, -0.0020955100000000 ] - [ -0.0000994700000000, 0.0004645600000000, 0.0048587000000000 ] - [ -0.0021804100000000, 0.0001655900000000, 0.0003852000000000 ] - [ -0.0031860500000000, -0.0006886200000000, 0.0004193900000000 ] - [ -0.0024136500000000, 0.0013155600000000, 0.0006012500000000 ] - [ -0.0005552800000000, 0.0023348900000000, -0.0003656400000000 ] - [ -0.0024685400000000, 0.0006170400000000, -0.0032701300000000 ] - [ -0.0036577400000000, 0.0059815900000000, 0.0000286200000000 ] - [ 0.0051507100000000, 0.0003407500000000, -0.0016577700000000 ] - [ 0.0036410800000000, 0.0028783200000000, 0.0004594200000000 ] - [ 0.0657062000000000, -0.0202220700000000, 0.0174925000000000 ] - [ -0.0012624200000000, -0.0067292400000000, 0.0003454700000000 ] - [ 0.0006432300000000, -0.0035503000000000, 0.0003354900000000 ] - [ 0.0003427400000000, -0.0006959100000000, 0.0009206100000000 ] - [ 0.0008855100000000, 0.0020959600000000, 0.0003933900000000 ] - [ 0.0034442900000000, 0.0000860100000000, 0.0002425100000000 ] - [ -0.0014201300000000, -0.0007941200000000, 0.0003698600000000 ] - [ -0.0063378200000000, -0.0016534500000000, 0.0063088700000000 ] - [ -0.0832987200000000, 0.0263655500000000, -0.0164257200000000 ] - [ 0.0001973500000000, 0.0004661600000000, -0.0000020600000000 ] - [ -0.0007947200000000, -0.0021197100000000, 0.0017968500000000 ] - [ 0.0004371400000000, 0.0019270800000000, -0.0000644600000000 ] - [ -0.0012835500000000, 0.0006511600000000, -0.0012211000000000 ] - [ -0.0004664400000000, -0.0004330200000000, -0.0001568800000000 ] - [ 0.0010318500000000, -0.0003593300000000, 0.0008273800000000 ] - [ 0.0010981100000000, 0.0008919800000000, -0.0000583000000000 ] - [ 0.0013797600000000, 0.0004761700000000, 0.0009438700000000 ] - [ 0.0026676200000000, -0.0007786800000000, -0.0052568300000000 ] - [ 0.0007531400000000, -0.0011568800000000, 0.0010498600000000 ] - [ -0.0003097600000000, -0.0017126300000000, 0.0000460300000000 ] - [ 0.0013337800000000, -0.0007014200000000, 0.0000100900000000 ] - [ 0.0012155100000000, 0.0005408600000000, -0.0008061200000000 ] - [ 0.0012057400000000, -0.0000760700000000, 0.0000229100000000 ] - [ 0.0007717600000000, -0.0011767600000000, -0.0007725100000000 ] - [ 0.0012256500000000, 0.0001573000000000, -0.0001396300000000 ] - [ 0.0006082200000000, -0.0001163500000000, -0.0004575300000000 ] - [ 0.0007895300000000, -0.0001494500000000, 0.0003555000000000 ] - [ 0.0007639900000000, -0.0000409200000000, 0.0001014000000000 ] - [ 0.0002314200000000, -0.0001107200000000, -0.0005739500000000 ] - [ 0.0003081700000000, -0.0006176100000000, -0.0001274300000000 ] - [ 0.0007446600000000, 0.0001448100000000, -0.0003769700000000 ] - [ 0.0006380400000000, -0.0004142800000000, 0.0001951400000000 ] - [ 0.0001726800000000, -0.0004248600000000, -0.0000855800000000 ] - [ 0.0002537900000000, -0.0007173700000000, -0.0001588900000000 ] - [ 0.0012143500000000, 0.0003658000000000, 0.0001895300000000 ] - [ 0.0000060000000000, -0.0004236200000000, 0.0002277300000000 ] - [ 0.0006876200000000, 0.0005693400000000, 0.0003124000000000 ] - [ 0.0004565200000000, 0.0006325100000000, -0.0009078200000000 ] - [ 0.0002611900000000, -0.0000365400000000, -0.0002955200000000 ] - [ 0.0004000300000000, -0.0002994900000000, 0.0001788700000000 ] - [ 0.0006495400000000, -0.0003284700000000, 0.0006377300000000 ] - [ 0.0010334900000000, 0.0002708600000000, -0.0000015500000000 ] - [ 0.0002566600000000, -0.0011279600000000, -0.0000194500000000 ] - [ 0.0006137900000000, -0.0014436200000000, -0.0001923600000000 ] - [ 0.0003295100000000, 0.0000949800000000, 0.0000185400000000 ] - [ -0.0002088100000000, -0.0009121000000000, 0.0000781500000000 ] - [ 0.0002439800000000, -0.0004231600000000, -0.0000682600000000 ] - [ 0.0000117800000000, -0.0001775100000000, 0.0001201500000000 ] - [ 0.0006448300000000, -0.0006981500000000, -0.0010551500000000 ] - [ 0.0001324300000000, -0.0002185500000000, 0.0001537300000000 ] - [ 0.0011255500000000, 0.0005739500000000, -0.0003254100000000 ] - [ -0.0002341300000000, -0.0000096300000000, 0.0000302100000000 ] - [ -0.0005090300000000, -0.0006704000000000, -0.0006884700000000 ] - [ -0.0012336300000000, -0.0004786400000000, 0.0003968200000000 ] - [ 0.0077971300000000, -0.0059056500000000, -0.0025200900000000 ] - [ -0.0000265200000000, 0.0002965400000000, 0.0000745100000000 ] - [ -0.0005663500000000, -0.0005156200000000, -0.0008517100000000 ] - [ 0.0003411800000000, -0.0054835000000000, 0.0012610800000000 ] - [ -0.0006226700000000, 0.0003880400000000, 0.0006745600000000 ] - [ 0.0037087200000000, -0.0024375200000000, -0.0122371400000000 ] - [ 0.0031145100000000, 0.0054808800000000, -0.0007037000000000 ] - [ -0.0057936100000000, -0.0069403700000000, -0.0017261600000000 ] - [ -0.0000884700000000, 0.0003162200000000, 0.0000307600000000 ] - [ -0.0012275900000000, 0.0005542000000000, 0.0003841100000000 ] - [ -0.0009519500000000, 0.0000687400000000, 0.0002495700000000 ] - [ -0.0014631900000000, 0.0010795900000000, -0.0002324300000000 ] - [ -0.0014058200000000, 0.0009304100000000, -0.0014441600000000 ] - [ 0.0022530000000000, 0.0012747300000000, 0.0021240000000000 ] - [ 0.0001629200000000, 0.0000883900000000, 0.0002364700000000 ] - [ 0.0003738800000000, 0.0000285300000000, -0.0002215200000000 ] - [ 0.0003771800000000, -0.0002359500000000, 0.0001261500000000 ] - [ 0.0055341000000000, 0.0009158400000000, 0.0083601300000000 ] - [ -0.0009750800000000, 0.0001809600000000, -0.0001204600000000 ] - [ -0.0000340200000000, 0.0004954100000000, 0.0003633700000000 ] - [ 0.0003875800000000, -0.0000809900000000, 0.0000341500000000 ] - [ -0.0010875500000000, 0.0002560500000000, 0.0002668100000000 ] - [ 0.0003062400000000, 0.0014930500000000, -0.0000934800000000 ] - [ 0.0024221300000000, 0.0088934000000000, 0.0047386700000000 ] - [ 0.0000490700000000, 0.0008528900000000, 0.0008880400000000 ] - [ 0.0002037600000000, 0.0001294200000000, -0.0002814800000000 ] - [ -0.0002524300000000, 0.0001914600000000, 0.0000282700000000 ] - [ -0.0005385000000000, -0.0001309300000000, 0.0001458200000000 ] - [ -0.0011598700000000, 0.0008288600000000, -0.0001247700000000 ] - [ -0.0006714800000000, 0.0004564700000000, -0.0003770100000000 ] - [ 0.0001230600000000, 0.0001207600000000, -0.0001491100000000 ] - [ -0.0002950600000000, 0.0001434300000000, -0.0003912900000000 ] - [ -0.0007317800000000, -0.0001684100000000, -0.0009584200000000 ] - [ -0.0004287200000000, -0.0001387200000000, -0.0001444800000000 ] - [ -0.0002491100000000, 0.0001909400000000, 0.0001470800000000 ] - [ 0.0001118200000000, -0.0002658800000000, 0.0001124600000000 ] - [ 0.0000462600000000, 0.0003155800000000, -0.0002563400000000 ] - [ 0.0006086600000000, 0.0010723500000000, 0.0002225400000000 ] - [ 0.0002513500000000, -0.0000902200000000, -0.0003520200000000 ] - [ 0.0000179800000000, -0.0003953200000000, -0.0000127300000000 ] - [ 0.0008778400000000, -0.0010895600000000, 0.0000049500000000 ] - [ 0.0005764100000000, 0.0000273300000000, -0.0000100400000000 ] - [ -0.0007580200000000, -0.0005227200000000, 0.0003024000000000 ] - [ 0.0008414600000000, -0.0000130200000000, 0.0007427300000000 ] - [ 0.0003534100000000, -0.0003151300000000, 0.0001106800000000 ] - [ -0.0000389800000000, -0.0009827200000000, 0.0006600600000000 ]- atom: 41 displacement: [ -0.0100000000000000, -0.0000000000065404, 0.0000000000000000 ] forces: - [ -0.0018052700000000, 0.0013004800000000, -0.0003507100000000 ] - [ -0.0020641100000000, -0.0008502500000000, -0.0006742100000000 ] - [ 0.0009197900000000, 0.0002877000000000, -0.0002681900000000 ] - [ 0.0015181800000000, -0.0004043800000000, 0.0001730000000000 ] - [ 0.0003840500000000, -0.0008347300000000, 0.0000286300000000 ] - [ 0.0015219700000000, 0.0003900900000000, 0.0001831100000000 ] - [ 0.0003882000000000, 0.0000493500000000, -0.0001591300000000 ] - [ 0.0001441400000000, -0.0006044400000000, 0.0000349400000000 ] - [ 0.0008190100000000, -0.0001345400000000, -0.0004028800000000 ] - [ 0.0000860700000000, -0.0002913600000000, -0.0002337600000000 ] - [ -0.0003212700000000, -0.0010359600000000, -0.0005083900000000 ] - [ 0.0004515400000000, 0.0010168600000000, -0.0009199200000000 ] - [ -0.0005149300000000, 0.0007280200000000, 0.0003000900000000 ] - [ -0.0029494200000000, 0.0006012100000000, 0.0024433900000000 ] - [ 0.0003911200000000, 0.0003026100000000, 0.0003449200000000 ] - [ -0.0001398800000000, -0.0000099300000000, -0.0001344300000000 ] - [ -0.0012002200000000, 0.0004737600000000, 0.0005412200000000 ] - [ -0.0001357000000000, 0.0002757600000000, 0.0004136400000000 ] - [ 0.0002108600000000, 0.0003754900000000, -0.0000218900000000 ] - [ -0.0001036000000000, -0.0005123900000000, -0.0000205700000000 ] - [ 0.0004293200000000, -0.0001790600000000, -0.0000688100000000 ] - [ 0.0041339100000000, 0.0016354300000000, 0.0029986900000000 ] - [ 0.0023182100000000, -0.0042600900000000, 0.0026110900000000 ] - [ 0.0008734500000000, 0.0005148000000000, -0.0037642300000000 ] - [ 0.0032477900000000, 0.0006933900000000, 0.0001267200000000 ] - [ 0.0036695900000000, -0.0004473500000000, 0.0006662700000000 ] - [ 0.0012093400000000, -0.0011569300000000, 0.0004835500000000 ] - [ -0.0007217100000000, -0.0018603900000000, 0.0009300800000000 ] - [ 0.0026903300000000, -0.0019670200000000, 0.0038654500000000 ] - [ 0.0044380100000000, -0.0050572300000000, 0.0010043700000000 ] - [ -0.0041074300000000, 0.0005389000000000, 0.0022235400000000 ] - [ -0.0031929900000000, -0.0040128500000000, 0.0005600000000000 ] - [ -0.0702016200000000, 0.0219004800000000, -0.0176997500000000 ] - [ -0.0000466100000000, 0.0072386000000000, 0.0002122500000000 ] - [ -0.0004419200000000, 0.0022006000000000, 0.0002301100000000 ] - [ 0.0003917400000000, 0.0016567900000000, 0.0001516500000000 ] - [ 0.0001738600000000, -0.0012687800000000, 0.0001698300000000 ] - [ -0.0029850300000000, -0.0012510400000000, 0.0008493000000000 ] - [ 0.0002187100000000, 0.0009437300000000, 0.0007029200000000 ] - [ 0.0064507300000000, 0.0015745200000000, -0.0066143100000000 ] - [ 0.0861165500000000, -0.0281777200000000, 0.0176704800000000 ] - [ 0.0000212400000000, -0.0002845700000000, -0.0000133100000000 ] - [ 0.0001808300000000, 0.0025699600000000, -0.0018741000000000 ] - [ -0.0005965900000000, -0.0020077000000000, 0.0001750900000000 ] - [ 0.0012816900000000, -0.0012221400000000, 0.0011318100000000 ] - [ 0.0001983000000000, 0.0005451700000000, 0.0001450300000000 ] - [ -0.0011375900000000, 0.0005072000000000, -0.0009547000000000 ] - [ -0.0004256400000000, -0.0005940300000000, -0.0000057500000000 ] - [ -0.0014146000000000, -0.0001096200000000, -0.0006338300000000 ] - [ -0.0022275500000000, 0.0007372400000000, 0.0043210400000000 ] - [ -0.0010575100000000, 0.0009328500000000, -0.0007475000000000 ] - [ 0.0004672700000000, 0.0016244300000000, 0.0000650900000000 ] - [ -0.0011483200000000, 0.0007178200000000, -0.0001393900000000 ] - [ -0.0015797100000000, -0.0000936600000000, -0.0000297800000000 ] - [ -0.0012940800000000, -0.0000943800000000, -0.0001528500000000 ] - [ -0.0009849500000000, 0.0006415900000000, -0.0000630300000000 ] - [ -0.0013879600000000, 0.0001308200000000, 0.0001549700000000 ] - [ -0.0008586200000000, -0.0002419100000000, -0.0004546600000000 ] - [ -0.0007933600000000, 0.0001492800000000, 0.0003022700000000 ] - [ -0.0004258500000000, -0.0001076300000000, 0.0002020400000000 ] - [ -0.0004198800000000, 0.0005039400000000, -0.0003368400000000 ] - [ 0.0001799300000000, 0.0009042100000000, 0.0000436000000000 ] - [ -0.0001778000000000, -0.0000548100000000, -0.0004581300000000 ] - [ -0.0007049400000000, 0.0004083000000000, -0.0005015900000000 ] - [ -0.0002518900000000, -0.0003121300000000, 0.0000225200000000 ] - [ 0.0000724500000000, 0.0007136800000000, 0.0001763500000000 ] - [ -0.0017114500000000, -0.0000837000000000, -0.0002776700000000 ] - [ 0.0000262800000000, 0.0004853100000000, -0.0005292500000000 ] - [ -0.0006803400000000, -0.0003932100000000, -0.0002007500000000 ] - [ -0.0004063400000000, -0.0009133700000000, 0.0008900700000000 ] - [ -0.0001679700000000, 0.0000604500000000, -0.0000315900000000 ] - [ -0.0005925100000000, 0.0000465300000000, 0.0000035000000000 ] - [ -0.0003869700000000, 0.0004529900000000, -0.0005517800000000 ] - [ -0.0016272200000000, 0.0001681500000000, -0.0001763700000000 ] - [ -0.0003924700000000, 0.0010871500000000, 0.0002276300000000 ] - [ -0.0006181600000000, 0.0008828800000000, -0.0000606500000000 ] - [ -0.0005729000000000, 0.0000796000000000, 0.0000719600000000 ] - [ 0.0001074700000000, 0.0010593700000000, -0.0001788800000000 ] - [ 0.0004317400000000, 0.0007143900000000, -0.0001106200000000 ] - [ -0.0000268100000000, 0.0006011600000000, 0.0002438900000000 ] - [ -0.0002378100000000, 0.0006315600000000, 0.0001760600000000 ] - [ -0.0004901500000000, -0.0000126500000000, 0.0002081000000000 ] - [ -0.0010243200000000, -0.0006723200000000, 0.0005344300000000 ] - [ 0.0004167600000000, 0.0000276900000000, -0.0001290900000000 ] - [ 0.0001712200000000, 0.0011149400000000, -0.0002051600000000 ] - [ 0.0011786900000000, 0.0003174100000000, -0.0004969600000000 ] - [ -0.0080730300000000, 0.0054344100000000, 0.0016495300000000 ] - [ -0.0001021500000000, -0.0000080800000000, 0.0001059100000000 ] - [ 0.0002991100000000, 0.0001968200000000, -0.0000293900000000 ] - [ -0.0003438500000000, 0.0055528400000000, -0.0008686100000000 ] - [ 0.0010032500000000, -0.0005900200000000, -0.0003188500000000 ] - [ -0.0038669400000000, 0.0028548100000000, 0.0115358800000000 ] - [ -0.0026420900000000, -0.0052515300000000, 0.0004603800000000 ] - [ 0.0064369600000000, 0.0069896600000000, 0.0008589700000000 ] - [ 0.0000635800000000, -0.0004123100000000, -0.0003563400000000 ] - [ 0.0011383600000000, -0.0012918900000000, -0.0005686600000000 ] - [ 0.0012746600000000, -0.0000869000000000, -0.0000757800000000 ] - [ 0.0009705800000000, -0.0007932700000000, -0.0000195200000000 ] - [ 0.0013597500000000, -0.0008445400000000, 0.0011196700000000 ] - [ -0.0022364900000000, -0.0011390400000000, -0.0019105600000000 ] - [ -0.0001955200000000, -0.0003830000000000, -0.0001459100000000 ] - [ -0.0003065700000000, -0.0000409300000000, 0.0001257800000000 ] - [ -0.0006154500000000, 0.0000304000000000, -0.0001055800000000 ] - [ -0.0053257500000000, -0.0008091400000000, -0.0085826900000000 ] - [ 0.0003815500000000, 0.0002530200000000, -0.0001339500000000 ] - [ -0.0000884400000000, -0.0005410500000000, -0.0003672300000000 ] - [ -0.0003879600000000, -0.0004930700000000, -0.0000700000000000 ] - [ 0.0008477000000000, -0.0000901000000000, -0.0004077800000000 ] - [ -0.0004092400000000, -0.0013478800000000, -0.0001622200000000 ] - [ -0.0017121600000000, -0.0086758100000000, -0.0050419700000000 ] - [ -0.0000615100000000, -0.0004287600000000, -0.0006109500000000 ] - [ 0.0002149900000000, -0.0001749500000000, -0.0004090800000000 ] - [ -0.0001077800000000, -0.0004221700000000, 0.0002473000000000 ] - [ 0.0006312200000000, 0.0000375500000000, -0.0001459400000000 ] - [ 0.0013424400000000, -0.0008021400000000, -0.0001280300000000 ] - [ 0.0003740400000000, -0.0000225800000000, -0.0004088400000000 ] - [ -0.0001908800000000, -0.0002830100000000, -0.0001053700000000 ] - [ 0.0000737400000000, -0.0006227400000000, -0.0003948600000000 ] - [ 0.0006576500000000, 0.0004698000000000, 0.0009869300000000 ] - [ 0.0001786000000000, -0.0001954700000000, -0.0005476300000000 ] - [ 0.0002524900000000, -0.0001857400000000, 0.0003367100000000 ] - [ 0.0002671500000000, 0.0000719300000000, 0.0001630900000000 ] - [ -0.0002139200000000, 0.0000693400000000, -0.0004336300000000 ] - [ -0.0001159700000000, -0.0007897900000000, -0.0002560200000000 ] - [ 0.0002761800000000, 0.0001526900000000, -0.0004337500000000 ] - [ -0.0000637500000000, 0.0003354100000000, -0.0000870500000000 ] - [ -0.0009640900000000, 0.0003611600000000, -0.0002588900000000 ] - [ -0.0002815300000000, -0.0001197400000000, 0.0000315900000000 ] - [ 0.0002623900000000, 0.0008154700000000, -0.0003404200000000 ] - [ -0.0008668600000000, 0.0000787800000000, -0.0008393300000000 ] - [ -0.0003277600000000, 0.0004424300000000, -0.0001109700000000 ] - [ 0.0000169400000000, 0.0006988000000000, -0.0008052100000000 ]- atom: 41 displacement: [ -0.0050000000104457, 0.0086602540318135, 0.0000000000000000 ] forces: - [ 0.0009163700000000, 0.0043722700000000, -0.0009558500000000 ] - [ -0.0027201800000000, 0.0054888900000000, 0.0011810000000000 ] - [ 0.0004227700000000, 0.0001475100000000, -0.0002132000000000 ] - [ 0.0012411000000000, 0.0000240700000000, 0.0001923000000000 ] - [ 0.0006772800000000, -0.0009567300000000, 0.0000310800000000 ] - [ 0.0010575100000000, 0.0005259300000000, 0.0001580000000000 ] - [ 0.0001726300000000, -0.0001958000000000, -0.0001472600000000 ] - [ 0.0002300800000000, -0.0007070200000000, 0.0000811400000000 ] - [ 0.0006097000000000, -0.0000897800000000, -0.0003677100000000 ] - [ 0.0001669900000000, -0.0004599800000000, -0.0003109500000000 ] - [ 0.0001290200000000, -0.0007918300000000, -0.0005916800000000 ] - [ 0.0000300100000000, 0.0010898000000000, -0.0004523300000000 ] - [ -0.0005892800000000, 0.0001817400000000, -0.0000708200000000 ] - [ -0.0016301000000000, 0.0023087900000000, 0.0024432600000000 ] - [ 0.0001076500000000, 0.0002505100000000, 0.0002015500000000 ] - [ -0.0001695800000000, -0.0002649000000000, -0.0000567900000000 ] - [ -0.0009385800000000, 0.0007489400000000, -0.0000779900000000 ] - [ -0.0002637400000000, -0.0000897300000000, 0.0003323800000000 ] - [ -0.0000368200000000, 0.0001927900000000, 0.0001489400000000 ] - [ 0.0001088900000000, -0.0005713400000000, -0.0001583300000000 ] - [ 0.0003564400000000, -0.0002781700000000, -0.0001066200000000 ] - [ 0.0014958200000000, 0.0020716700000000, 0.0012872200000000 ] - [ 0.0036815200000000, -0.0033946800000000, 0.0031727500000000 ] - [ 0.0013564500000000, 0.0026459800000000, -0.0027735800000000 ] - [ 0.0024392800000000, 0.0009197200000000, 0.0002074700000000 ] - [ 0.0026122600000000, -0.0001081000000000, 0.0006416400000000 ] - [ 0.0011313900000000, -0.0010262400000000, 0.0005365300000000 ] - [ 0.0000595000000000, -0.0019778300000000, 0.0009914600000000 ] - [ 0.0024114500000000, -0.0010814900000000, 0.0031640500000000 ] - [ 0.0045084400000000, -0.0042006300000000, 0.0010074400000000 ] - [ -0.0027953800000000, 0.0006172000000000, 0.0033085300000000 ] - [ -0.0012588600000000, -0.0074492600000000, 0.0015943700000000 ] - [ -0.0545035800000000, 0.0297925500000000, -0.0144879000000000 ] - [ -0.0043832600000000, 0.0031864900000000, 0.0001139700000000 ] - [ -0.0015930000000000, -0.0006661400000000, 0.0003624900000000 ] - [ -0.0005106300000000, 0.0003838900000000, 0.0003880900000000 ] - [ 0.0000478000000000, -0.0031132400000000, 0.0001967100000000 ] - [ -0.0026334200000000, -0.0029672800000000, 0.0027661800000000 ] - [ -0.0006304600000000, -0.0003153300000000, 0.0005864700000000 ] - [ 0.0037303000000000, 0.0010680800000000, -0.0077053600000000 ] - [ 0.0669556500000000, -0.0516021200000000, 0.0105816100000000 ] - [ 0.0003388800000000, 0.0000055200000000, 0.0002126800000000 ] - [ -0.0009768700000000, 0.0030246000000000, -0.0029246200000000 ] - [ -0.0000121800000000, -0.0005426400000000, 0.0000324600000000 ] - [ 0.0011955000000000, -0.0014781400000000, 0.0002368500000000 ] - [ 0.0001070600000000, 0.0009775400000000, 0.0001719400000000 ] - [ -0.0011073100000000, -0.0004953500000000, -0.0007368800000000 ] - [ -0.0000729300000000, -0.0001597300000000, 0.0000349200000000 ] - [ -0.0005318000000000, -0.0002550800000000, -0.0000552100000000 ] - [ -0.0018143200000000, -0.0005692800000000, 0.0030128500000000 ] - [ -0.0015639100000000, 0.0007855400000000, -0.0010452800000000 ] - [ 0.0004056100000000, 0.0023849600000000, 0.0001374300000000 ] - [ -0.0005773200000000, 0.0002215800000000, -0.0001070500000000 ] - [ -0.0012148900000000, -0.0002163000000000, -0.0002107500000000 ] - [ -0.0013682100000000, -0.0001829600000000, -0.0001439900000000 ] - [ -0.0009647100000000, 0.0002807600000000, -0.0000459400000000 ] - [ -0.0011375000000000, 0.0000915900000000, 0.0001299400000000 ] - [ -0.0006258100000000, -0.0003000600000000, -0.0004727700000000 ] - [ -0.0006502700000000, -0.0000287900000000, 0.0003061300000000 ] - [ -0.0002494600000000, -0.0001299600000000, 0.0001808300000000 ] - [ -0.0004209600000000, 0.0004649000000000, -0.0003422500000000 ] - [ 0.0000598900000000, 0.0009501100000000, 0.0000744300000000 ] - [ -0.0000605900000000, -0.0001475100000000, -0.0004381500000000 ] - [ -0.0006122400000000, 0.0002698000000000, -0.0004872600000000 ] - [ -0.0000931100000000, -0.0002579500000000, 0.0000201100000000 ] - [ -0.0000849800000000, 0.0013632600000000, 0.0003288900000000 ] - [ -0.0013537200000000, -0.0001521100000000, -0.0001871000000000 ] - [ -0.0004050700000000, 0.0006741700000000, -0.0010297000000000 ] - [ 0.0001937000000000, -0.0004254300000000, 0.0000310400000000 ] - [ 0.0002215000000000, -0.0004172200000000, 0.0001158700000000 ] - [ 0.0000490000000000, 0.0003416600000000, -0.0002959200000000 ] - [ -0.0004604800000000, 0.0001131100000000, 0.0000263100000000 ] - [ -0.0004977600000000, 0.0004484800000000, -0.0006848100000000 ] - [ -0.0013325000000000, 0.0001696500000000, -0.0001584000000000 ] - [ -0.0005212300000000, 0.0011546600000000, 0.0002131400000000 ] - [ -0.0008012100000000, 0.0010372600000000, -0.0001174800000000 ] - [ -0.0004144200000000, -0.0000169200000000, -0.0000043700000000 ] - [ -0.0000150800000000, 0.0008209500000000, -0.0001533700000000 ] - [ 0.0003788900000000, 0.0007802400000000, -0.0001045500000000 ] - [ -0.0001327100000000, 0.0006234700000000, 0.0002549300000000 ] - [ -0.0002763300000000, 0.0005520500000000, 0.0000796000000000 ] - [ -0.0004712400000000, -0.0001598100000000, 0.0001957400000000 ] - [ -0.0006787100000000, -0.0006032400000000, 0.0004142600000000 ] - [ 0.0000353600000000, 0.0002967000000000, -0.0001728300000000 ] - [ -0.0006007400000000, 0.0010105000000000, -0.0002523600000000 ] - [ 0.0004167700000000, 0.0000362800000000, -0.0005315600000000 ] - [ -0.0066660500000000, 0.0044694000000000, 0.0013031600000000 ] - [ 0.0001395000000000, 0.0003475500000000, 0.0000680700000000 ] - [ 0.0001014800000000, 0.0006121700000000, 0.0003236100000000 ] - [ -0.0008747500000000, 0.0035823600000000, -0.0006964600000000 ] - [ 0.0007503100000000, -0.0005812200000000, -0.0000717200000000 ] - [ -0.0039215800000000, -0.0000768900000000, 0.0093384100000000 ] - [ -0.0016583100000000, -0.0055486700000000, 0.0004949800000000 ] - [ 0.0002480700000000, 0.0149213800000000, -0.0002978400000000 ] - [ 0.0001619600000000, 0.0000765400000000, -0.0000254700000000 ] - [ 0.0009710000000000, -0.0016865800000000, -0.0005196300000000 ] - [ 0.0010697000000000, -0.0002840700000000, -0.0004743100000000 ] - [ 0.0012384500000000, 0.0003979800000000, -0.0001526600000000 ] - [ 0.0018620500000000, 0.0006582700000000, 0.0001442900000000 ] - [ -0.0002944100000000, -0.0009036000000000, -0.0002813800000000 ] - [ -0.0001783400000000, -0.0006203500000000, 0.0001681800000000 ] - [ -0.0002357800000000, -0.0000203100000000, 0.0000734900000000 ] - [ -0.0005169300000000, 0.0001178400000000, -0.0000968000000000 ] - [ -0.0046575100000000, -0.0009434100000000, -0.0075478200000000 ] - [ 0.0006339100000000, 0.0006645300000000, -0.0002872500000000 ] - [ 0.0000579300000000, -0.0007877000000000, -0.0003432000000000 ] - [ -0.0001545200000000, -0.0004594900000000, -0.0000562100000000 ] - [ 0.0005332800000000, 0.0001468300000000, -0.0009669500000000 ] - [ 0.0001128400000000, 0.0000998100000000, -0.0001267400000000 ] - [ 0.0056906200000000, -0.0039020600000000, 0.0007764600000000 ] - [ 0.0002813500000000, 0.0000611500000000, 0.0000787500000000 ] - [ 0.0003369400000000, -0.0000249000000000, -0.0004016800000000 ] - [ 0.0000136400000000, -0.0001153900000000, 0.0000531900000000 ] - [ 0.0006202300000000, 0.0001848500000000, -0.0001800900000000 ] - [ 0.0010287700000000, 0.0002074700000000, -0.0000619700000000 ] - [ 0.0007619100000000, 0.0002200100000000, -0.0005019900000000 ] - [ 0.0004727200000000, 0.0001202200000000, -0.0001128100000000 ] - [ 0.0001114600000000, -0.0002862300000000, -0.0004168200000000 ] - [ -0.0002465700000000, -0.0002825000000000, 0.0015955400000000 ] - [ 0.0001224300000000, -0.0000853800000000, -0.0007070600000000 ] - [ 0.0004596600000000, 0.0003039400000000, 0.0002297000000000 ] - [ 0.0002828800000000, 0.0002561100000000, 0.0003038000000000 ] - [ -0.0001009400000000, 0.0002512600000000, -0.0004231800000000 ] - [ 0.0002336900000000, -0.0002955600000000, -0.0001424000000000 ] - [ 0.0004031600000000, 0.0007474300000000, -0.0004733600000000 ] - [ -0.0001719200000000, -0.0000854800000000, -0.0003757700000000 ] - [ -0.0009438700000000, 0.0005893200000000, -0.0002060000000000 ] - [ -0.0000942000000000, -0.0001426800000000, -0.0000084700000000 ] - [ -0.0001599500000000, 0.0008916200000000, -0.0004551300000000 ] - [ -0.0004846400000000, 0.0000137400000000, -0.0004435700000000 ] - [ -0.0005156600000000, 0.0005251200000000, -0.0001405700000000 ] - [ -0.0001250400000000, 0.0006155100000000, -0.0006643200000000 ]- atom: 41 displacement: [ 0.0050000000104457, -0.0086602540318135, 0.0000000000000000 ] forces: - [ -0.0009425600000000, -0.0044440400000000, 0.0011957200000000 ] - [ 0.0028554800000000, -0.0061259700000000, -0.0017170400000000 ] - [ -0.0004734800000000, -0.0000414200000000, -0.0001159500000000 ] - [ -0.0012422800000000, -0.0000294300000000, 0.0004042700000000 ] - [ -0.0005728500000000, 0.0009337500000000, 0.0002250000000000 ] - [ -0.0010860400000000, -0.0004186500000000, 0.0000995300000000 ] - [ -0.0000519200000000, 0.0001939100000000, -0.0001821000000000 ] - [ -0.0003035900000000, 0.0006275700000000, 0.0001515000000000 ] - [ -0.0006699500000000, -0.0000193400000000, 0.0000369400000000 ] - [ -0.0002292400000000, 0.0005694000000000, -0.0000193700000000 ] - [ -0.0001340500000000, 0.0007944900000000, 0.0011763700000000 ] - [ 0.0000712400000000, -0.0011135200000000, 0.0006856500000000 ] - [ 0.0005551500000000, -0.0000706900000000, 0.0003076600000000 ] - [ 0.0017664400000000, -0.0023284700000000, -0.0027528600000000 ] - [ -0.0001798800000000, -0.0003286800000000, 0.0000365100000000 ] - [ 0.0001069200000000, 0.0001605000000000, -0.0002920300000000 ] - [ 0.0008776600000000, -0.0006448200000000, -0.0002708200000000 ] - [ 0.0002662400000000, 0.0000900000000000, 0.0002727600000000 ] - [ 0.0001444100000000, -0.0002139100000000, 0.0000875500000000 ] - [ -0.0001423100000000, 0.0006734100000000, 0.0004023800000000 ] - [ -0.0002304600000000, 0.0002782900000000, -0.0002419200000000 ] - [ -0.0027315100000000, -0.0015815100000000, -0.0007525500000000 ] - [ -0.0034904200000000, 0.0020395800000000, -0.0026724000000000 ] - [ -0.0005920800000000, -0.0017060100000000, 0.0038586800000000 ] - [ -0.0013728100000000, -0.0000719100000000, 0.0003147500000000 ] - [ -0.0021351300000000, -0.0010405000000000, 0.0004385400000000 ] - [ -0.0023497700000000, 0.0011899900000000, 0.0005454000000000 ] - [ -0.0013420400000000, 0.0024697400000000, -0.0004197900000000 ] - [ -0.0021995800000000, -0.0002685200000000, -0.0025750300000000 ] - [ -0.0037395300000000, 0.0051580500000000, 0.0000220300000000 ] - [ 0.0038386100000000, 0.0002596300000000, -0.0027425800000000 ] - [ 0.0017021500000000, 0.0062955700000000, -0.0005607900000000 ] - [ 0.0508799300000000, -0.0290334900000000, 0.0146712800000000 ] - [ 0.0031076700000000, -0.0026932300000000, 0.0004676800000000 ] - [ 0.0017960700000000, -0.0006582600000000, 0.0002139800000000 ] - [ 0.0012617400000000, 0.0005815700000000, 0.0006810000000000 ] - [ 0.0010307300000000, 0.0039834200000000, 0.0003752600000000 ] - [ 0.0031110500000000, 0.0018236000000000, -0.0017096900000000 ] - [ -0.0005650700000000, 0.0004890700000000, 0.0004837000000000 ] - [ -0.0036487100000000, -0.0011398500000000, 0.0073828400000000 ] - [ -0.0649860700000000, 0.0510919200000000, -0.0096045200000000 ] - [ -0.0001225500000000, 0.0001727800000000, -0.0002318200000000 ] - [ 0.0003852000000000, -0.0026023700000000, 0.0028851200000000 ] - [ -0.0001541200000000, 0.0004419700000000, 0.0000806000000000 ] - [ -0.0011963700000000, 0.0009123300000000, -0.0003157200000000 ] - [ -0.0003784900000000, -0.0008747200000000, -0.0001842600000000 ] - [ 0.0010056600000000, 0.0006624400000000, 0.0006040400000000 ] - [ 0.0007420900000000, 0.0004516700000000, -0.0001001000000000 ] - [ 0.0004867000000000, 0.0006221900000000, 0.0003559600000000 ] - [ 0.0022506200000000, 0.0005535700000000, -0.0039299800000000 ] - [ 0.0012777600000000, -0.0010082400000000, 0.0013610800000000 ] - [ -0.0002543100000000, -0.0025067300000000, -0.0000277900000000 ] - [ 0.0007587600000000, -0.0002002100000000, -0.0000257600000000 ] - [ 0.0008521700000000, 0.0006670400000000, -0.0006224300000000 ] - [ 0.0012887500000000, 0.0000162600000000, 0.0000116700000000 ] - [ 0.0007556200000000, -0.0008114600000000, -0.0007918500000000 ] - [ 0.0009789900000000, 0.0001959000000000, -0.0001148300000000 ] - [ 0.0003746300000000, -0.0000573400000000, -0.0004388300000000 ] - [ 0.0006483700000000, 0.0000321400000000, 0.0003537000000000 ] - [ 0.0005866900000000, -0.0000165500000000, 0.0001217300000000 ] - [ 0.0002349000000000, -0.0000699900000000, -0.0005702600000000 ] - [ 0.0004311400000000, -0.0006669200000000, -0.0001605100000000 ] - [ 0.0006288700000000, 0.0002410200000000, -0.0003962900000000 ] - [ 0.0005489900000000, -0.0002772600000000, 0.0001819500000000 ] - [ 0.0000133000000000, -0.0004768600000000, -0.0000830200000000 ] - [ 0.0004125100000000, -0.0013681500000000, -0.0003108700000000 ] - [ 0.0008594000000000, 0.0004360400000000, 0.0000992100000000 ] - [ 0.0004359600000000, -0.0006162200000000, 0.0007258900000000 ] - [ -0.0001890800000000, 0.0006032900000000, 0.0000803200000000 ] - [ -0.0001748700000000, 0.0001355700000000, -0.0001345100000000 ] - [ 0.0000398900000000, -0.0003225300000000, -0.0000270600000000 ] - [ 0.0002663700000000, -0.0003680100000000, 0.0001557900000000 ] - [ 0.0007658500000000, -0.0003250100000000, 0.0007751500000000 ] - [ 0.0007420100000000, 0.0002687200000000, -0.0000190500000000 ] - [ 0.0003896300000000, -0.0011987600000000, -0.0000041100000000 ] - [ 0.0008013000000000, -0.0016085200000000, -0.0001357600000000 ] - [ 0.0001705900000000, 0.0001940000000000, 0.0000949900000000 ] - [ -0.0000859800000000, -0.0006782200000000, 0.0000505400000000 ] - [ 0.0002965100000000, -0.0004921100000000, -0.0000741300000000 ] - [ 0.0001188800000000, -0.0002036000000000, 0.0001090400000000 ] - [ 0.0006853300000000, -0.0006232500000000, -0.0009621500000000 ] - [ 0.0001152700000000, -0.0000699400000000, 0.0001659100000000 ] - [ 0.0007799300000000, 0.0005078700000000, -0.0002064600000000 ] - [ 0.0001492700000000, -0.0002828900000000, 0.0000717400000000 ] - [ 0.0002598200000000, -0.0005716000000000, -0.0006432100000000 ] - [ -0.0004744800000000, -0.0001965200000000, 0.0004298700000000 ] - [ 0.0064331900000000, -0.0049580700000000, -0.0021859000000000 ] - [ -0.0002675200000000, -0.0000600000000000, 0.0001124900000000 ] - [ -0.0003682100000000, -0.0009293200000000, -0.0012016400000000 ] - [ 0.0008789700000000, -0.0035745600000000, 0.0011036500000000 ] - [ -0.0003714500000000, 0.0003807700000000, 0.0004278200000000 ] - [ 0.0037683900000000, 0.0004402800000000, -0.0101200700000000 ] - [ 0.0021419300000000, 0.0057959100000000, -0.0007347700000000 ] - [ 0.0002870200000000, -0.0145778100000000, -0.0005880100000000 ] - [ -0.0001855800000000, -0.0001754700000000, -0.0003035800000000 ] - [ -0.0010610200000000, 0.0009573500000000, 0.0003364800000000 ] - [ -0.0007516800000000, 0.0002687200000000, 0.0006551900000000 ] - [ -0.0017230100000000, -0.0001208000000000, -0.0001000100000000 ] - [ -0.0019297800000000, -0.0005842600000000, -0.0004690500000000 ] - [ 0.0002946200000000, 0.0010324900000000, 0.0004737300000000 ] - [ 0.0001475200000000, 0.0003297200000000, -0.0000841200000000 ] - [ 0.0003035300000000, 0.0000099300000000, -0.0001707600000000 ] - [ 0.0002789500000000, -0.0003234700000000, 0.0001174400000000 ] - [ 0.0048837900000000, 0.0010661200000000, 0.0073473000000000 ] - [ -0.0012217900000000, -0.0002318200000000, 0.0000329800000000 ] - [ -0.0001809200000000, 0.0007481500000000, 0.0003419400000000 ] - [ 0.0001526900000000, -0.0001131700000000, 0.0000197900000000 ] - [ -0.0007694200000000, 0.0000154500000000, 0.0008222300000000 ] - [ -0.0002178100000000, 0.0000405700000000, -0.0001317200000000 ] - [ -0.0049702000000000, 0.0042261300000000, -0.0010129000000000 ] - [ -0.0002948800000000, 0.0003634800000000, 0.0001973500000000 ] - [ 0.0000814900000000, -0.0000217500000000, -0.0002886300000000 ] - [ -0.0003732600000000, -0.0001171300000000, 0.0002239400000000 ] - [ -0.0005287600000000, -0.0002794700000000, 0.0001807100000000 ] - [ -0.0008567700000000, -0.0001858600000000, -0.0001948400000000 ] - [ -0.0010680800000000, 0.0002126200000000, -0.0002818900000000 ] - [ -0.0005509300000000, -0.0002873000000000, -0.0001447500000000 ] - [ -0.0003337500000000, -0.0001953800000000, -0.0003685700000000 ] - [ 0.0001859200000000, 0.0005994500000000, -0.0015863200000000 ] - [ -0.0003752900000000, -0.0002500500000000, 0.0000184200000000 ] - [ -0.0004610000000000, -0.0003043300000000, 0.0002567800000000 ] - [ 0.0000923800000000, -0.0004537400000000, -0.0000316900000000 ] - [ -0.0000677700000000, 0.0001323100000000, -0.0002670300000000 ] - [ 0.0002562200000000, 0.0005724600000000, 0.0001069400000000 ] - [ 0.0001214900000000, -0.0006952100000000, -0.0003110200000000 ] - [ 0.0001301100000000, 0.0000327400000000, 0.0002818400000000 ] - [ 0.0008615800000000, -0.0013252600000000, -0.0000479900000000 ] - [ 0.0003885000000000, 0.0000485100000000, 0.0000305400000000 ] - [ -0.0003327600000000, -0.0006036100000000, 0.0004205800000000 ] - [ 0.0004569000000000, 0.0000511900000000, 0.0003435600000000 ] - [ 0.0005451700000000, -0.0004026900000000, 0.0001412600000000 ] - [ 0.0001036600000000, -0.0009058400000000, 0.0005212300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012151300000000, -0.0014716700000000, 0.0024706500000000 ] - [ -0.0010344600000000, 0.0034446200000000, 0.0028471600000000 ] - [ -0.0001389300000000, 0.0000196100000000, -0.0000654000000000 ] - [ -0.0000738300000000, 0.0000017700000000, 0.0005579500000000 ] - [ 0.0000386300000000, 0.0001154700000000, 0.0002452400000000 ] - [ -0.0003687500000000, -0.0000360900000000, 0.0002220000000000 ] - [ -0.0000191900000000, -0.0000100700000000, -0.0001136100000000 ] - [ -0.0000854400000000, 0.0001362100000000, 0.0001463200000000 ] - [ -0.0001458900000000, -0.0000723400000000, -0.0000985700000000 ] - [ -0.0000734200000000, 0.0001122800000000, -0.0001535600000000 ] - [ 0.0003893300000000, -0.0004988500000000, 0.0001965400000000 ] - [ 0.0008626000000000, 0.0001650500000000, -0.0000235300000000 ] - [ -0.0000085300000000, -0.0004274900000000, 0.0000270100000000 ] - [ 0.0006182700000000, -0.0000225800000000, 0.0043514400000000 ] - [ -0.0001448900000000, -0.0001182800000000, -0.0000392900000000 ] - [ -0.0000050000000000, -0.0000007100000000, -0.0002617200000000 ] - [ 0.0000409600000000, -0.0002673400000000, -0.0013675900000000 ] - [ 0.0000547700000000, -0.0000642500000000, 0.0001483800000000 ] - [ 0.0001315000000000, -0.0000040300000000, -0.0000396900000000 ] - [ -0.0000122100000000, 0.0000252600000000, -0.0001243700000000 ] - [ -0.0000135700000000, 0.0000480600000000, -0.0002594800000000 ] - [ -0.0032666600000000, -0.0003257700000000, -0.0003782600000000 ] - [ -0.0020077400000000, 0.0011182500000000, -0.0003003700000000 ] - [ 0.0012159900000000, 0.0003433000000000, -0.0024688700000000 ] - [ 0.0000293700000000, 0.0004564100000000, 0.0002694400000000 ] - [ -0.0001748400000000, -0.0005762800000000, 0.0001175500000000 ] - [ -0.0007752800000000, 0.0001459700000000, 0.0001656800000000 ] - [ -0.0007449600000000, 0.0007313600000000, -0.0002003900000000 ] - [ -0.0008837700000000, -0.0003305100000000, -0.0015367300000000 ] - [ -0.0006136200000000, 0.0018895800000000, 0.0007512100000000 ] - [ 0.0018508800000000, 0.0021917500000000, -0.0052578500000000 ] - [ 0.0006668400000000, 0.0003546700000000, 0.0014694100000000 ] - [ 0.0166030400000000, -0.0062070800000000, 0.0208561800000000 ] - [ -0.0016856100000000, -0.0021682200000000, 0.0022835400000000 ] - [ 0.0002318900000000, -0.0008337800000000, 0.0006714200000000 ] - [ 0.0006993500000000, 0.0004745000000000, 0.0007088600000000 ] - [ 0.0004903000000000, 0.0004497500000000, 0.0008284900000000 ] - [ 0.0013011100000000, 0.0022725700000000, -0.0001018900000000 ] - [ -0.0007606100000000, 0.0000264400000000, 0.0005689600000000 ] - [ 0.0012090400000000, -0.0046071200000000, 0.0077273200000000 ] - [ -0.0170808100000000, 0.0016842800000000, -0.0342199200000000 ] - [ 0.0000521900000000, 0.0001829600000000, -0.0002036200000000 ] - [ 0.0005488200000000, -0.0020980800000000, 0.0008590400000000 ] - [ -0.0001672300000000, -0.0001285300000000, 0.0000275300000000 ] - [ -0.0004422700000000, -0.0002216800000000, 0.0004611300000000 ] - [ -0.0001010200000000, -0.0003811000000000, -0.0005499400000000 ] - [ 0.0007590300000000, -0.0000913500000000, 0.0001856600000000 ] - [ 0.0005812200000000, 0.0003958300000000, -0.0001190300000000 ] - [ 0.0001926200000000, 0.0002532000000000, -0.0003162300000000 ] - [ -0.0009306500000000, 0.0002497300000000, 0.0002014500000000 ] - [ -0.0000043200000000, -0.0003070700000000, -0.0003762200000000 ] - [ 0.0000670400000000, 0.0001632600000000, 0.0000272500000000 ] - [ 0.0004971600000000, -0.0002099800000000, -0.0000844100000000 ] - [ -0.0002901200000000, 0.0002027100000000, -0.0002907800000000 ] - [ 0.0004515400000000, -0.0000872700000000, -0.0000875700000000 ] - [ -0.0002326700000000, -0.0001622900000000, -0.0002895000000000 ] - [ 0.0002447400000000, 0.0001528400000000, -0.0000836200000000 ] - [ -0.0000313300000000, -0.0001717400000000, -0.0004366800000000 ] - [ 0.0000394300000000, 0.0000135500000000, 0.0005087600000000 ] - [ 0.0002652700000000, -0.0000648200000000, 0.0000069200000000 ] - [ -0.0000744000000000, 0.0001760900000000, -0.0004642100000000 ] - [ 0.0002365700000000, 0.0000341200000000, -0.0000137100000000 ] - [ 0.0003589500000000, 0.0000812200000000, -0.0003790200000000 ] - [ 0.0001496600000000, -0.0001257100000000, -0.0000550600000000 ] - [ -0.0000145100000000, -0.0003938800000000, -0.0000827300000000 ] - [ 0.0001883800000000, -0.0001609000000000, -0.0000825700000000 ] - [ 0.0000676500000000, 0.0001873000000000, 0.0000495000000000 ] - [ 0.0000473800000000, -0.0001079900000000, -0.0000772800000000 ] - [ 0.0002852400000000, 0.0001576900000000, 0.0001035900000000 ] - [ 0.0001525100000000, 0.0000308700000000, -0.0005374400000000 ] - [ 0.0001299600000000, 0.0000154300000000, -0.0003345300000000 ] - [ 0.0000210400000000, -0.0001847100000000, 0.0001314800000000 ] - [ 0.0004182400000000, -0.0000794600000000, 0.0004862700000000 ] - [ -0.0000278500000000, 0.0002038000000000, 0.0000131600000000 ] - [ 0.0000845300000000, -0.0004497300000000, -0.0000373400000000 ] - [ 0.0001108700000000, -0.0005226100000000, -0.0002253400000000 ] - [ -0.0000703200000000, 0.0001391700000000, 0.0001735800000000 ] - [ -0.0000587700000000, -0.0001561200000000, 0.0000601300000000 ] - [ 0.0003212000000000, 0.0000364300000000, -0.0000281000000000 ] - [ -0.0000171400000000, 0.0002154500000000, 0.0003571800000000 ] - [ 0.0002125500000000, -0.0001486400000000, -0.0008071100000000 ] - [ -0.0003224700000000, -0.0000844800000000, 0.0007246800000000 ] - [ 0.0001094200000000, 0.0000435200000000, -0.0000294700000000 ] - [ 0.0002158500000000, -0.0002172900000000, 0.0001367400000000 ] - [ -0.0002466800000000, 0.0000052500000000, -0.0006035700000000 ] - [ 0.0001708500000000, -0.0001579900000000, 0.0006721300000000 ] - [ 0.0030659600000000, -0.0023723800000000, -0.0016504900000000 ] - [ -0.0000836800000000, 0.0001799900000000, 0.0001257300000000 ] - [ -0.0002007600000000, -0.0000882600000000, -0.0008335300000000 ] - [ 0.0001692400000000, -0.0013475300000000, 0.0002523200000000 ] - [ 0.0000524000000000, 0.0007970400000000, 0.0021718400000000 ] - [ -0.0082274600000000, 0.0036183200000000, -0.0022391100000000 ] - [ 0.0010047300000000, 0.0015903800000000, -0.0012740900000000 ] - [ -0.0011480700000000, -0.0007105000000000, -0.0031384700000000 ] - [ -0.0000186200000000, -0.0000642800000000, -0.0003039600000000 ] - [ -0.0001545200000000, 0.0001003100000000, 0.0015334700000000 ] - [ -0.0004639100000000, -0.0015045500000000, 0.0007835600000000 ] - [ -0.0003841000000000, 0.0001763000000000, -0.0003531000000000 ] - [ -0.0010160100000000, -0.0005296300000000, -0.0011944000000000 ] - [ 0.0020610100000000, 0.0009602800000000, 0.0005080200000000 ] - [ 0.0001094700000000, -0.0002885000000000, 0.0007922300000000 ] - [ 0.0000561400000000, -0.0000264900000000, 0.0000434700000000 ] - [ -0.0000307400000000, -0.0001270800000000, 0.0000509600000000 ] - [ 0.0013532900000000, 0.0000337800000000, 0.0018269200000000 ] - [ -0.0003935300000000, 0.0001639900000000, -0.0001645100000000 ] - [ -0.0000631400000000, 0.0001768500000000, 0.0003683900000000 ] - [ -0.0000322200000000, -0.0003042800000000, 0.0000157500000000 ] - [ -0.0002014000000000, -0.0004405200000000, -0.0001420900000000 ] - [ 0.0000864200000000, 0.0004953300000000, -0.0001328100000000 ] - [ 0.0059110100000000, 0.0058144600000000, 0.0016518100000000 ] - [ 0.0001806400000000, 0.0005545200000000, 0.0004248400000000 ] - [ 0.0001787700000000, -0.0000131600000000, -0.0002115300000000 ] - [ -0.0002070800000000, -0.0001084000000000, 0.0001535700000000 ] - [ -0.0002722700000000, -0.0003286200000000, 0.0003551700000000 ] - [ -0.0001581700000000, 0.0004080300000000, -0.0002911600000000 ] - [ -0.0006519600000000, 0.0000247600000000, -0.0003302600000000 ] - [ -0.0000487600000000, -0.0000500900000000, -0.0001617100000000 ] - [ -0.0001578600000000, -0.0001733400000000, -0.0003686100000000 ] - [ -0.0005969400000000, 0.0002883000000000, 0.0007031800000000 ] - [ -0.0001705600000000, -0.0002580500000000, 0.0002653800000000 ] - [ -0.0001926400000000, -0.0001575100000000, 0.0001547500000000 ] - [ 0.0001922500000000, -0.0000924100000000, 0.0001731100000000 ] - [ -0.0000734200000000, 0.0001949600000000, -0.0002104900000000 ] - [ 0.0004201900000000, 0.0004889600000000, 0.0001390800000000 ] - [ 0.0002248300000000, -0.0003491400000000, -0.0003275100000000 ] - [ 0.0002528700000000, 0.0000499100000000, 0.0008161400000000 ] - [ 0.0001494200000000, -0.0005150900000000, -0.0001050100000000 ] - [ 0.0001866100000000, -0.0000430100000000, 0.0000470400000000 ] - [ -0.0001580000000000, -0.0002444000000000, 0.0002740100000000 ] - [ 0.0003056200000000, -0.0000118800000000, 0.0003794600000000 ] - [ 0.0001169400000000, -0.0000213800000000, 0.0000959000000000 ] - [ -0.0000209300000000, -0.0003377300000000, 0.0001159400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0011584600000000, 0.0014001100000000, -0.0022006100000000 ] - [ 0.0009961500000000, -0.0035921400000000, -0.0031563000000000 ] - [ 0.0000815500000000, 0.0000845600000000, -0.0002635700000000 ] - [ 0.0000738800000000, -0.0000021900000000, 0.0000391500000000 ] - [ 0.0000696100000000, -0.0001384700000000, 0.0000105400000000 ] - [ 0.0003308100000000, 0.0001398400000000, 0.0000355000000000 ] - [ 0.0001402500000000, 0.0000082400000000, -0.0002164600000000 ] - [ 0.0000115800000000, -0.0002149200000000, 0.0000876500000000 ] - [ 0.0000823400000000, -0.0000374300000000, -0.0002308600000000 ] - [ 0.0000122200000000, -0.0000029900000000, -0.0001758400000000 ] - [ -0.0003856500000000, 0.0004966000000000, 0.0003943600000000 ] - [ -0.0007513000000000, -0.0001892400000000, 0.0002593300000000 ] - [ -0.0000248000000000, 0.0005263500000000, 0.0002101900000000 ] - [ -0.0004187400000000, 0.0000458300000000, -0.0042232100000000 ] - [ 0.0000726900000000, 0.0000380000000000, 0.0002748400000000 ] - [ -0.0000558700000000, -0.0001070000000000, -0.0000892200000000 ] - [ -0.0000946600000000, 0.0003756500000000, 0.0010124300000000 ] - [ -0.0000534100000000, 0.0000636600000000, 0.0004550400000000 ] - [ -0.0000281000000000, -0.0000196100000000, 0.0002749100000000 ] - [ -0.0000217200000000, 0.0000776100000000, 0.0003610200000000 ] - [ 0.0001370400000000, -0.0000480700000000, -0.0000916900000000 ] - [ 0.0019767600000000, 0.0008191700000000, 0.0008990200000000 ] - [ 0.0021922900000000, -0.0024489900000000, 0.0008231400000000 ] - [ -0.0004768700000000, 0.0006313800000000, 0.0035331300000000 ] - [ 0.0010300400000000, 0.0003930500000000, 0.0002506400000000 ] - [ 0.0006368200000000, -0.0005667800000000, 0.0009580900000000 ] - [ -0.0004423200000000, 0.0000194900000000, 0.0009121400000000 ] - [ -0.0005271000000000, -0.0002402600000000, 0.0007555000000000 ] - [ 0.0010938800000000, -0.0010109900000000, 0.0020777700000000 ] - [ 0.0013536500000000, -0.0009041900000000, 0.0002796800000000 ] - [ -0.0007918900000000, -0.0013569900000000, 0.0058069500000000 ] - [ -0.0001908300000000, -0.0014689000000000, -0.0004451600000000 ] - [ -0.0179040600000000, 0.0064071800000000, -0.0196488000000000 ] - [ 0.0004154100000000, 0.0026440400000000, -0.0017141200000000 ] - [ -0.0000282600000000, -0.0005080700000000, -0.0000993600000000 ] - [ 0.0000496900000000, 0.0004863200000000, 0.0003648700000000 ] - [ 0.0005682400000000, 0.0004005400000000, -0.0002555500000000 ] - [ -0.0008263000000000, -0.0033798600000000, 0.0011775600000000 ] - [ -0.0004459700000000, 0.0001343900000000, 0.0005047600000000 ] - [ -0.0012367700000000, 0.0046264600000000, -0.0081314900000000 ] - [ 0.0170027500000000, -0.0019445200000000, 0.0337511100000000 ] - [ 0.0001657200000000, -0.0000017700000000, 0.0001832600000000 ] - [ -0.0011352500000000, 0.0025124100000000, -0.0009224600000000 ] - [ 0.0000044300000000, 0.0000387300000000, 0.0000844200000000 ] - [ 0.0004476500000000, -0.0003449200000000, -0.0005446600000000 ] - [ -0.0001662200000000, 0.0004824200000000, 0.0005276100000000 ] - [ -0.0008551200000000, 0.0002436000000000, -0.0003209500000000 ] - [ 0.0000948000000000, -0.0000979200000000, 0.0000514600000000 ] - [ -0.0002293500000000, 0.0001111500000000, 0.0006141200000000 ] - [ 0.0013717500000000, -0.0002840800000000, -0.0011082300000000 ] - [ -0.0002925100000000, 0.0000856800000000, 0.0006729100000000 ] - [ 0.0000884500000000, -0.0002591900000000, 0.0000831400000000 ] - [ -0.0003065600000000, 0.0002241000000000, -0.0000487900000000 ] - [ -0.0000654200000000, 0.0002470500000000, -0.0005427400000000 ] - [ -0.0005300500000000, -0.0000815700000000, -0.0000459600000000 ] - [ 0.0000254600000000, -0.0003760900000000, -0.0005449900000000 ] - [ -0.0003952700000000, 0.0001353600000000, 0.0000963000000000 ] - [ -0.0002162900000000, -0.0001862300000000, -0.0004735000000000 ] - [ -0.0000368900000000, -0.0000134300000000, 0.0001511700000000 ] - [ 0.0000738000000000, -0.0000819600000000, 0.0002928600000000 ] - [ -0.0001125200000000, 0.0002172500000000, -0.0004461500000000 ] - [ 0.0002525600000000, 0.0002480300000000, -0.0000705700000000 ] - [ 0.0002106100000000, 0.0000113100000000, -0.0004553300000000 ] - [ -0.0002090900000000, 0.0001168500000000, -0.0002456700000000 ] - [ -0.0000660800000000, -0.0003414300000000, 0.0000178100000000 ] - [ 0.0001384100000000, 0.0001511100000000, 0.0000974600000000 ] - [ -0.0005546600000000, 0.0000971200000000, -0.0001350500000000 ] - [ -0.0000158800000000, 0.0001642200000000, -0.0002205900000000 ] - [ -0.0002804800000000, 0.0000244900000000, 0.0000076900000000 ] - [ -0.0001049700000000, -0.0003088200000000, 0.0005150200000000 ] - [ -0.0000361500000000, 0.0000062700000000, 0.0000048000000000 ] - [ -0.0002103600000000, -0.0000711100000000, 0.0000506200000000 ] - [ -0.0001491000000000, 0.0002010000000000, -0.0003955400000000 ] - [ -0.0005564800000000, 0.0002351600000000, -0.0001903700000000 ] - [ -0.0002158400000000, 0.0004014300000000, 0.0002420400000000 ] - [ -0.0001080500000000, -0.0000504400000000, -0.0000299200000000 ] - [ -0.0001715300000000, 0.0000372900000000, -0.0000831600000000 ] - [ -0.0000450800000000, 0.0002950700000000, -0.0001608600000000 ] - [ 0.0003532900000000, 0.0002509600000000, -0.0001508500000000 ] - [ 0.0000018800000000, 0.0002054000000000, 0.0000067800000000 ] - [ 0.0001975600000000, 0.0000751200000000, -0.0000830800000000 ] - [ -0.0000365600000000, -0.0001453900000000, -0.0003579000000000 ] - [ -0.0000045300000000, -0.0001365600000000, 0.0002335000000000 ] - [ -0.0000421700000000, 0.0002422600000000, -0.0002356900000000 ] - [ -0.0000955600000000, 0.0004292300000000, -0.0002952000000000 ] - [ -0.0002516500000000, -0.0000052000000000, -0.0007711800000000 ] - [ -0.0032496700000000, 0.0018400900000000, 0.0007373900000000 ] - [ -0.0000452900000000, 0.0001093400000000, 0.0000538700000000 ] - [ -0.0000693800000000, -0.0002304400000000, -0.0000560400000000 ] - [ -0.0001663900000000, 0.0013231100000000, 0.0001590900000000 ] - [ 0.0003190900000000, -0.0009797900000000, -0.0017989300000000 ] - [ 0.0079825200000000, -0.0031867200000000, 0.0013319600000000 ] - [ -0.0005033800000000, -0.0012897900000000, 0.0010146300000000 ] - [ 0.0017013200000000, 0.0007210500000000, 0.0022356300000000 ] - [ -0.0000059300000000, -0.0000331800000000, -0.0000257700000000 ] - [ 0.0000698100000000, -0.0008292800000000, -0.0016945100000000 ] - [ 0.0007718900000000, 0.0014563500000000, -0.0006001600000000 ] - [ -0.0001118700000000, 0.0001067200000000, 0.0000977000000000 ] - [ 0.0009476300000000, 0.0006013800000000, 0.0008581100000000 ] - [ -0.0020187000000000, -0.0008191600000000, -0.0003049300000000 ] - [ -0.0001321200000000, -0.0000047200000000, -0.0007024500000000 ] - [ 0.0000121400000000, 0.0000153700000000, -0.0001410900000000 ] - [ -0.0002064000000000, -0.0000786700000000, -0.0000301000000000 ] - [ -0.0010568500000000, 0.0000990300000000, -0.0019135700000000 ] - [ -0.0002021900000000, 0.0002684200000000, -0.0000893700000000 ] - [ -0.0000632700000000, -0.0002119100000000, -0.0003647500000000 ] - [ 0.0000305000000000, -0.0002676500000000, -0.0000523800000000 ] - [ -0.0000422700000000, 0.0006155100000000, 0.0000128000000000 ] - [ -0.0001898600000000, -0.0003506900000000, -0.0001259400000000 ] - [ -0.0052952300000000, -0.0055507800000000, -0.0019048100000000 ] - [ -0.0001954800000000, -0.0001302500000000, -0.0001464600000000 ] - [ 0.0002393700000000, -0.0000326800000000, -0.0004783400000000 ] - [ -0.0001525300000000, -0.0001221900000000, 0.0001235700000000 ] - [ 0.0003682600000000, 0.0002417000000000, -0.0003544600000000 ] - [ 0.0003369100000000, -0.0003840800000000, 0.0000338400000000 ] - [ 0.0003423800000000, 0.0004051900000000, -0.0004550400000000 ] - [ -0.0000217200000000, -0.0001140700000000, -0.0000957900000000 ] - [ -0.0000636600000000, -0.0003058200000000, -0.0004179500000000 ] - [ 0.0005325600000000, 0.0000117800000000, -0.0006808100000000 ] - [ -0.0000814100000000, -0.0000811100000000, -0.0009511900000000 ] - [ 0.0001915800000000, 0.0001572400000000, 0.0003289000000000 ] - [ 0.0001858400000000, -0.0001042900000000, 0.0001021700000000 ] - [ -0.0000933300000000, 0.0001895500000000, -0.0004791400000000 ] - [ 0.0000754200000000, -0.0002041200000000, -0.0001734900000000 ] - [ 0.0003013600000000, 0.0004002900000000, -0.0004576200000000 ] - [ -0.0002883600000000, -0.0001127600000000, -0.0009111300000000 ] - [ -0.0002273400000000, -0.0002221200000000, -0.0001486400000000 ] - [ 0.0001107600000000, -0.0000503100000000, -0.0000250000000000 ] - [ -0.0003330900000000, 0.0005299900000000, -0.0003093800000000 ] - [ -0.0003257800000000, 0.0000760600000000, -0.0004728500000000 ] - [ -0.0000880200000000, 0.0001439400000000, -0.0000951900000000 ] - [ -0.0000019800000000, 0.0000436700000000, -0.0002530300000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000065404, 0.0000000000000000 ] forces: - [ -0.0001176100000000, -0.0015870600000000, -0.0001064400000000 ] - [ 0.0000054400000000, -0.0004025400000000, -0.0000800700000000 ] - [ 0.0005417900000000, 0.0010340000000000, 0.0013923500000000 ] - [ 0.0000204100000000, 0.0001346600000000, 0.0003806500000000 ] - [ -0.0005271600000000, 0.0000441200000000, 0.0001723300000000 ] - [ -0.0001930300000000, 0.0003988900000000, 0.0001893300000000 ] - [ -0.0004253900000000, 0.0009039700000000, -0.0002738500000000 ] - [ -0.0013190100000000, -0.0004216400000000, 0.0000584600000000 ] - [ -0.0008880800000000, 0.0009127800000000, -0.0001665900000000 ] - [ -0.0006016400000000, 0.0003157500000000, 0.0000940300000000 ] - [ -0.0005937800000000, -0.0000990500000000, 0.0004026300000000 ] - [ 0.0000760100000000, 0.0000034800000000, 0.0002094400000000 ] - [ -0.0009001800000000, -0.0007165800000000, 0.0025282900000000 ] - [ 0.0000521200000000, -0.0004198000000000, -0.0000650400000000 ] - [ -0.0000318700000000, 0.0002581400000000, -0.0000217200000000 ] - [ -0.0003915800000000, 0.0002173500000000, -0.0008260500000000 ] - [ 0.0000349600000000, -0.0001346400000000, -0.0003485000000000 ] - [ 0.0011161200000000, -0.0003069400000000, -0.0005274200000000 ] - [ 0.0011525100000000, -0.0001246900000000, -0.0011462000000000 ] - [ -0.0002789700000000, -0.0002049400000000, -0.0000022900000000 ] - [ -0.0005094000000000, 0.0002008900000000, -0.0009971900000000 ] - [ 0.0046265900000000, 0.0034006600000000, 0.0008116900000000 ] - [ -0.0008538800000000, -0.0010404900000000, 0.0002898600000000 ] - [ 0.0008071400000000, -0.0001380100000000, -0.0000748300000000 ] - [ -0.0000413400000000, 0.0021860900000000, 0.0004816600000000 ] - [ 0.0003129900000000, 0.0007874900000000, -0.0000478900000000 ] - [ -0.0015529600000000, 0.0007603700000000, 0.0001573000000000 ] - [ -0.0030085800000000, 0.0002748200000000, -0.0003578100000000 ] - [ -0.0011024700000000, -0.0001530000000000, -0.0000560800000000 ] - [ -0.0025605300000000, 0.0009095200000000, 0.0012830300000000 ] - [ -0.0001893200000000, -0.0009826500000000, -0.0003825400000000 ] - [ -0.0063499500000000, -0.0009597700000000, -0.0002298700000000 ] - [ -0.0018151800000000, -0.0007691500000000, 0.0004923600000000 ] - [ 0.0018166000000000, 0.0021314500000000, 0.0008845600000000 ] - [ 0.0155532200000000, -0.0040332300000000, 0.0058724700000000 ] - [ 0.0046454300000000, 0.0031377700000000, 0.0049826900000000 ] - [ -0.0003372100000000, -0.0031499200000000, 0.0051339900000000 ] - [ 0.0006812500000000, -0.0051010000000000, 0.0006370400000000 ] - [ 0.0164785700000000, 0.0011612100000000, 0.0083024700000000 ] - [ 0.0002080000000000, 0.0002347900000000, -0.0002002900000000 ] - [ -0.0000011000000000, 0.0001798600000000, -0.0000491900000000 ] - [ -0.0443060200000000, 0.0064849800000000, -0.0334868400000000 ] - [ 0.0000425700000000, 0.0005962900000000, -0.0001417400000000 ] - [ -0.0026283200000000, 0.0044279200000000, 0.0029198400000000 ] - [ -0.0002066900000000, 0.0002292900000000, 0.0002513100000000 ] - [ 0.0000309700000000, 0.0009113100000000, -0.0001317900000000 ] - [ -0.0002889800000000, -0.0002104100000000, -0.0001561500000000 ] - [ 0.0015364500000000, -0.0076888700000000, 0.0020964700000000 ] - [ -0.0007892300000000, 0.0000483200000000, -0.0005867100000000 ] - [ 0.0001202200000000, 0.0002377800000000, -0.0002729200000000 ] - [ -0.0000443800000000, -0.0000683800000000, 0.0000240500000000 ] - [ 0.0006427900000000, 0.0005346200000000, -0.0001535200000000 ] - [ 0.0003947000000000, -0.0007732800000000, -0.0000477400000000 ] - [ -0.0005697000000000, 0.0002250400000000, -0.0002827300000000 ] - [ 0.0002666100000000, -0.0001763000000000, -0.0000961200000000 ] - [ 0.0000281500000000, -0.0002633200000000, -0.0004021000000000 ] - [ 0.0006023400000000, 0.0000475700000000, -0.0003839500000000 ] - [ -0.0001349900000000, -0.0004296900000000, -0.0005042700000000 ] - [ -0.0000683000000000, -0.0001997700000000, 0.0004222400000000 ] - [ 0.0002671000000000, -0.0003793900000000, -0.0000097300000000 ] - [ 0.0001220800000000, 0.0000519900000000, -0.0003365000000000 ] - [ 0.0005368100000000, 0.0001460500000000, -0.0000204900000000 ] - [ 0.0002906800000000, -0.0003996500000000, -0.0003625700000000 ] - [ 0.0002156000000000, -0.0001932300000000, -0.0002959700000000 ] - [ 0.0002693200000000, -0.0012189700000000, -0.0004309300000000 ] - [ 0.0009079600000000, -0.0005927100000000, -0.0002032700000000 ] - [ -0.0000710200000000, -0.0000373300000000, 0.0000226200000000 ] - [ 0.0009838000000000, -0.0002209300000000, 0.0008846500000000 ] - [ -0.0000481000000000, -0.0003047600000000, 0.0000964900000000 ] - [ -0.0004396400000000, -0.0006329600000000, -0.0002417500000000 ] - [ 0.0082677600000000, 0.0037916200000000, -0.0042440700000000 ] - [ 0.0053413100000000, -0.0025037000000000, 0.0012963800000000 ] - [ 0.0004257500000000, 0.0000305300000000, 0.0002954400000000 ] - [ 0.0000408800000000, -0.0002010100000000, 0.0002222800000000 ] - [ 0.0003271000000000, 0.0000360500000000, 0.0000362600000000 ] - [ 0.0009344900000000, -0.0004643900000000, -0.0004870300000000 ] - [ -0.0000441600000000, -0.0002550600000000, -0.0001077300000000 ] - [ 0.0002970400000000, 0.0001508200000000, 0.0000238900000000 ] - [ 0.0007036000000000, 0.0001027400000000, -0.0001178700000000 ] - [ 0.0004216900000000, 0.0001925600000000, 0.0002393100000000 ] - [ 0.0008501000000000, -0.0001767000000000, -0.0008446300000000 ] - [ 0.0001228900000000, -0.0002116200000000, 0.0003284000000000 ] - [ 0.0000373600000000, -0.0004864800000000, 0.0001023800000000 ] - [ 0.0006003300000000, -0.0001764000000000, 0.0000232300000000 ] - [ 0.0015556000000000, 0.0004220400000000, -0.0005813700000000 ] - [ 0.0005836500000000, 0.0000929700000000, -0.0000187100000000 ] - [ 0.0004716400000000, -0.0006165500000000, -0.0005187100000000 ] - [ -0.0003326900000000, -0.0004316000000000, -0.0003268800000000 ] - [ 0.0007358500000000, -0.0001459000000000, -0.0008862900000000 ] - [ 0.0008589200000000, 0.0002914000000000, 0.0002881700000000 ] - [ 0.0004074600000000, 0.0002206900000000, 0.0000074700000000 ] - [ 0.0000778700000000, 0.0003294100000000, -0.0006075100000000 ] - [ 0.0003172200000000, -0.0000296000000000, -0.0002587700000000 ] - [ 0.0010500500000000, 0.0011704400000000, -0.0003879400000000 ] - [ 0.0038391300000000, -0.0089535600000000, -0.0038583900000000 ] - [ -0.0002219100000000, 0.0000648500000000, -0.0000086000000000 ] - [ 0.0000172300000000, 0.0007616800000000, 0.0002607500000000 ] - [ 0.0073354500000000, 0.0017249500000000, 0.0019401300000000 ] - [ -0.0006989100000000, 0.0004902800000000, -0.0010680800000000 ] - [ -0.0014537600000000, 0.0014171200000000, -0.0008770800000000 ] - [ -0.0004998500000000, -0.0003284500000000, 0.0005628200000000 ] - [ 0.0001048500000000, -0.0002010700000000, 0.0000097600000000 ] - [ 0.0003996800000000, -0.0005329100000000, 0.0002938900000000 ] - [ 0.0004239900000000, 0.0000026300000000, 0.0002168800000000 ] - [ 0.0039832400000000, -0.0001991700000000, 0.0005378100000000 ] - [ -0.0000194100000000, -0.0001780400000000, 0.0000202400000000 ] - [ 0.0001255000000000, -0.0007184300000000, -0.0000751800000000 ] - [ 0.0003315800000000, 0.0008083300000000, 0.0009272200000000 ] - [ -0.0020650000000000, -0.0054791000000000, -0.0000912400000000 ] - [ 0.0001478700000000, 0.0001495200000000, -0.0000488400000000 ] - [ -0.0002751000000000, 0.0001050400000000, 0.0004788400000000 ] - [ -0.0001211600000000, -0.0001285000000000, -0.0004017600000000 ] - [ -0.0013685800000000, -0.0002818700000000, 0.0074440600000000 ] - [ 0.0000603900000000, 0.0003614300000000, -0.0000620200000000 ] - [ -0.0010651900000000, 0.0009311700000000, -0.0002828200000000 ] - [ -0.0014194900000000, 0.0003031800000000, -0.0002635400000000 ] - [ -0.0049678100000000, 0.0009822900000000, -0.0034557400000000 ] - [ -0.0055941000000000, 0.0015232000000000, -0.0013463900000000 ] - [ 0.0000231900000000, 0.0003740600000000, 0.0000285000000000 ] - [ -0.0002384200000000, 0.0002640200000000, 0.0001490100000000 ] - [ -0.0019866400000000, 0.0040299600000000, 0.0003585700000000 ] - [ 0.0000838500000000, 0.0001120700000000, -0.0001280400000000 ] - [ -0.0014283700000000, 0.0001070500000000, 0.0077461900000000 ] - [ -0.0034578700000000, -0.0024158200000000, 0.0001383200000000 ] - [ 0.0025137900000000, 0.0056832900000000, 0.0000736100000000 ] - [ 0.0000062700000000, 0.0001616500000000, 0.0001705000000000 ] - [ 0.0005299300000000, -0.0006484000000000, -0.0004009200000000 ] - [ -0.0000520200000000, -0.0005009800000000, 0.0000742800000000 ] - [ 0.0003891900000000, 0.0006435500000000, -0.0000464800000000 ] - [ -0.0000818500000000, -0.0005581400000000, 0.0005053800000000 ] - [ 0.0009648800000000, 0.0000383300000000, 0.0003464300000000 ] - [ 0.0004820200000000, -0.0000416900000000, -0.0003103900000000 ]- atom: 42 displacement: [ -0.0100000000000000, -0.0000000000065404, 0.0000000000000000 ] forces: - [ 0.0000345300000000, 0.0015041100000000, 0.0003624100000000 ] - [ -0.0000670100000000, 0.0002980900000000, -0.0002485800000000 ] - [ -0.0005772600000000, -0.0009386300000000, -0.0017269200000000 ] - [ -0.0000197100000000, -0.0001365500000000, 0.0002156500000000 ] - [ 0.0006345500000000, -0.0000697400000000, 0.0000840800000000 ] - [ 0.0001600200000000, -0.0002924500000000, 0.0000688000000000 ] - [ 0.0005460500000000, -0.0009052200000000, -0.0000546300000000 ] - [ 0.0012399300000000, 0.0003394800000000, 0.0001739600000000 ] - [ 0.0008243100000000, -0.0010180900000000, -0.0001630500000000 ] - [ 0.0005397100000000, -0.0002076800000000, -0.0004242000000000 ] - [ 0.0005929000000000, 0.0001001300000000, 0.0001839400000000 ] - [ 0.0000299200000000, -0.0000260700000000, 0.0000243000000000 ] - [ 0.0008403800000000, 0.0008186000000000, -0.0022861300000000 ] - [ 0.0000733100000000, 0.0004198300000000, -0.0002656500000000 ] - [ -0.0000403600000000, -0.0003363100000000, 0.0002590300000000 ] - [ 0.0003277400000000, -0.0003236100000000, 0.0004754500000000 ] - [ -0.0000946900000000, 0.0002413600000000, -0.0000004800000000 ] - [ -0.0011123000000000, 0.0003061600000000, 0.0011287200000000 ] - [ -0.0010454400000000, 0.0001030800000000, 0.0013788500000000 ] - [ 0.0002447300000000, 0.0003052200000000, 0.0002410500000000 ] - [ 0.0006325200000000, -0.0001997800000000, 0.0006433400000000 ] - [ -0.0058766500000000, -0.0029231600000000, -0.0002720100000000 ] - [ 0.0010524600000000, -0.0003133900000000, 0.0002326700000000 ] - [ -0.0000515300000000, 0.0011018000000000, 0.0011545200000000 ] - [ 0.0011071000000000, -0.0013345800000000, 0.0000409300000000 ] - [ 0.0001587200000000, -0.0019309800000000, 0.0011231600000000 ] - [ 0.0003368800000000, -0.0005963400000000, 0.0009220800000000 ] - [ 0.0017280100000000, 0.0002132800000000, 0.0009220200000000 ] - [ 0.0013120800000000, -0.0011896600000000, 0.0006225200000000 ] - [ 0.0033167600000000, 0.0000632500000000, -0.0002476000000000 ] - [ 0.0012399600000000, 0.0018460200000000, 0.0009488500000000 ] - [ 0.0068222600000000, -0.0001935800000000, 0.0012693100000000 ] - [ 0.0006020700000000, 0.0009407900000000, 0.0005408700000000 ] - [ -0.0030808200000000, -0.0016256300000000, -0.0003106900000000 ] - [ -0.0154964900000000, 0.0028875600000000, -0.0057213900000000 ] - [ -0.0039115500000000, -0.0021622000000000, -0.0039127200000000 ] - [ 0.0014219400000000, 0.0039851600000000, -0.0045223600000000 ] - [ -0.0002083800000000, 0.0039567800000000, 0.0004359800000000 ] - [ -0.0172493100000000, -0.0008830800000000, -0.0065274200000000 ] - [ -0.0001720300000000, -0.0002894900000000, -0.0001040400000000 ] - [ -0.0001778500000000, -0.0004543500000000, 0.0000647700000000 ] - [ 0.0441934000000000, -0.0066686200000000, 0.0331899400000000 ] - [ -0.0006348800000000, -0.0001616400000000, 0.0000779700000000 ] - [ 0.0024899200000000, -0.0045163400000000, -0.0027818300000000 ] - [ 0.0002093700000000, -0.0007966100000000, -0.0003369300000000 ] - [ -0.0003000300000000, -0.0008012900000000, 0.0001144100000000 ] - [ 0.0001869200000000, 0.0003680700000000, 0.0000221200000000 ] - [ -0.0008538700000000, 0.0079030700000000, -0.0021414900000000 ] - [ 0.0007494000000000, 0.0003243700000000, 0.0008855400000000 ] - [ 0.0003148500000000, -0.0002693200000000, -0.0006388200000000 ] - [ -0.0002529000000000, -0.0001516400000000, 0.0002784500000000 ] - [ -0.0004860400000000, -0.0006300000000000, 0.0002636700000000 ] - [ -0.0002106000000000, 0.0007904000000000, -0.0000843600000000 ] - [ 0.0002091400000000, 0.0002252400000000, -0.0005502700000000 ] - [ -0.0003491800000000, 0.0000086300000000, -0.0000360900000000 ] - [ -0.0002381300000000, -0.0002706900000000, -0.0004332800000000 ] - [ -0.0007590000000000, 0.0002388900000000, 0.0003967000000000 ] - [ -0.0001153600000000, 0.0000729000000000, -0.0004055500000000 ] - [ 0.0000671800000000, 0.0002016300000000, 0.0002372400000000 ] - [ 0.0000705700000000, 0.0002328600000000, 0.0003111300000000 ] - [ -0.0003096100000000, 0.0003423700000000, -0.0005753800000000 ] - [ -0.0000472800000000, 0.0001388700000000, -0.0000641200000000 ] - [ 0.0002774700000000, 0.0004927600000000, -0.0004714700000000 ] - [ -0.0002780700000000, 0.0001840000000000, -0.0000082400000000 ] - [ -0.0003496600000000, 0.0004853000000000, 0.0003684600000000 ] - [ -0.0005812700000000, 0.0005900100000000, 0.0002197900000000 ] - [ -0.0004207800000000, 0.0003213900000000, -0.0001089700000000 ] - [ -0.0009533200000000, 0.0002809900000000, -0.0011878600000000 ] - [ 0.0000512200000000, 0.0004853000000000, 0.0000147900000000 ] - [ 0.0004870100000000, 0.0003532100000000, 0.0002229100000000 ] - [ -0.0080082700000000, -0.0037075900000000, 0.0038792200000000 ] - [ -0.0055177200000000, 0.0022434300000000, -0.0011130000000000 ] - [ -0.0001592600000000, 0.0000936500000000, -0.0002064300000000 ] - [ -0.0006292300000000, 0.0006383500000000, -0.0003980200000000 ] - [ -0.0004599600000000, -0.0000780300000000, 0.0001711400000000 ] - [ -0.0009312600000000, -0.0001043400000000, 0.0002290200000000 ] - [ -0.0001993100000000, 0.0004314000000000, 0.0001986100000000 ] - [ -0.0003995900000000, -0.0000099400000000, -0.0001245400000000 ] - [ -0.0000286800000000, 0.0001872300000000, -0.0000603100000000 ] - [ -0.0004362700000000, 0.0002294700000000, 0.0001260000000000 ] - [ -0.0004399300000000, 0.0001043100000000, -0.0000430800000000 ] - [ -0.0004809400000000, -0.0000191000000000, 0.0000370100000000 ] - [ 0.0000656300000000, 0.0003911400000000, 0.0001037700000000 ] - [ -0.0004207800000000, 0.0001955700000000, -0.0001225700000000 ] - [ -0.0018995800000000, 0.0000156000000000, -0.0003149200000000 ] - [ -0.0006519100000000, -0.0002547500000000, -0.0000807000000000 ] - [ -0.0006805500000000, 0.0001023700000000, -0.0003790300000000 ] - [ 0.0002055700000000, 0.0007221500000000, 0.0005079800000000 ] - [ -0.0010067100000000, -0.0001701600000000, 0.0000037000000000 ] - [ -0.0008600700000000, -0.0002910000000000, 0.0001169300000000 ] - [ -0.0000310500000000, -0.0004161800000000, 0.0003577300000000 ] - [ -0.0002183300000000, 0.0000596900000000, -0.0002788300000000 ] - [ 0.0001730400000000, 0.0003110400000000, 0.0000060300000000 ] - [ -0.0005020600000000, -0.0010906500000000, -0.0005088000000000 ] - [ -0.0038999500000000, 0.0089577400000000, 0.0035305700000000 ] - [ 0.0001348300000000, -0.0007964700000000, -0.0001678100000000 ] - [ 0.0002985100000000, -0.0007902100000000, -0.0000785200000000 ] - [ -0.0079119500000000, -0.0014500200000000, -0.0022465600000000 ] - [ 0.0006322500000000, -0.0004201700000000, 0.0007407700000000 ] - [ 0.0014839100000000, -0.0012804200000000, 0.0010815100000000 ] - [ 0.0004721000000000, 0.0000365900000000, -0.0004757800000000 ] - [ -0.0000372300000000, 0.0001904900000000, -0.0001066000000000 ] - [ -0.0006374500000000, 0.0003275500000000, -0.0002728700000000 ] - [ -0.0001609800000000, 0.0001224800000000, -0.0003554700000000 ] - [ -0.0045413800000000, 0.0006289100000000, -0.0007876200000000 ] - [ -0.0001056700000000, 0.0001394000000000, -0.0000192400000000 ] - [ -0.0001277100000000, 0.0001459600000000, 0.0000389200000000 ] - [ -0.0005718100000000, -0.0006393900000000, -0.0010701900000000 ] - [ 0.0019601700000000, 0.0056211600000000, -0.0001627800000000 ] - [ 0.0005245600000000, 0.0001457600000000, -0.0002065300000000 ] - [ 0.0002596300000000, 0.0003183800000000, -0.0002020900000000 ] - [ 0.0005394600000000, 0.0000818000000000, -0.0002887000000000 ] - [ 0.0009994300000000, 0.0000470400000000, -0.0071655400000000 ] - [ 0.0000348400000000, -0.0004517700000000, 0.0000636500000000 ] - [ 0.0012405500000000, -0.0009091200000000, 0.0000267900000000 ] - [ 0.0011119300000000, 0.0001273800000000, -0.0005214700000000 ] - [ 0.0048666600000000, -0.0011521800000000, 0.0031969400000000 ] - [ 0.0053575800000000, -0.0020074600000000, 0.0005414900000000 ] - [ -0.0000866400000000, -0.0000682100000000, -0.0000088100000000 ] - [ -0.0000136600000000, -0.0005989500000000, -0.0008363700000000 ] - [ 0.0019617900000000, -0.0040358800000000, 0.0001086700000000 ] - [ 0.0002916000000000, -0.0003083200000000, 0.0004023800000000 ] - [ 0.0012592300000000, 0.0002755100000000, -0.0083766100000000 ] - [ 0.0039314400000000, 0.0026983700000000, -0.0001995300000000 ] - [ -0.0019763300000000, -0.0056031900000000, -0.0008590400000000 ] - [ -0.0000467800000000, -0.0002194200000000, -0.0002668400000000 ] - [ -0.0006123900000000, -0.0000873200000000, 0.0001452200000000 ] - [ 0.0003461500000000, 0.0004073100000000, -0.0000499600000000 ] - [ -0.0008788700000000, -0.0003515600000000, 0.0000099000000000 ] - [ 0.0000552200000000, 0.0006225400000000, -0.0006015900000000 ] - [ -0.0009354600000000, 0.0000863900000000, -0.0003445100000000 ] - [ -0.0005043300000000, -0.0002486400000000, 0.0001694700000000 ]- atom: 42 displacement: [ -0.0050000000104457, 0.0086602540318135, 0.0000000000000000 ] forces: - [ -0.0007974400000000, 0.0002867500000000, -0.0004244300000000 ] - [ -0.0002389200000000, -0.0000933100000000, -0.0001936600000000 ] - [ 0.0010799600000000, -0.0008069700000000, -0.0024177400000000 ] - [ 0.0000896500000000, -0.0005113300000000, 0.0001229500000000 ] - [ 0.0003604900000000, -0.0000993900000000, 0.0000983300000000 ] - [ 0.0002914000000000, -0.0003513500000000, 0.0000822300000000 ] - [ 0.0006883400000000, -0.0008197600000000, 0.0000026500000000 ] - [ 0.0005556600000000, 0.0002500600000000, 0.0001268500000000 ] - [ 0.0009461800000000, -0.0005993000000000, -0.0000275600000000 ] - [ 0.0004708700000000, -0.0000537500000000, -0.0003484600000000 ] - [ 0.0002619100000000, 0.0000994200000000, 0.0002265700000000 ] - [ 0.0000768700000000, -0.0002799000000000, 0.0000409700000000 ] - [ -0.0008041700000000, 0.0015117600000000, -0.0005022500000000 ] - [ -0.0003169300000000, -0.0001011700000000, -0.0001591100000000 ] - [ 0.0001130900000000, -0.0004394100000000, 0.0002051900000000 ] - [ 0.0004378400000000, -0.0000618100000000, 0.0003509900000000 ] - [ -0.0001908900000000, -0.0000410600000000, -0.0000892900000000 ] - [ -0.0008100700000000, 0.0001069000000000, 0.0008722100000000 ] - [ -0.0005914100000000, 0.0005448100000000, 0.0010477400000000 ] - [ -0.0000209200000000, 0.0000902100000000, 0.0002024000000000 ] - [ 0.0003700000000000, 0.0001429400000000, 0.0002739200000000 ] - [ -0.0032161600000000, -0.0074236700000000, 0.0032872100000000 ] - [ 0.0001820400000000, -0.0016259500000000, 0.0003180100000000 ] - [ -0.0003370900000000, -0.0001006200000000, 0.0011412300000000 ] - [ 0.0019559800000000, -0.0020866100000000, 0.0001771300000000 ] - [ 0.0009623700000000, -0.0020141300000000, 0.0010621100000000 ] - [ 0.0003418300000000, -0.0009130500000000, 0.0008154300000000 ] - [ 0.0006727400000000, 0.0004489800000000, 0.0006971500000000 ] - [ 0.0010501000000000, -0.0011671000000000, 0.0005123900000000 ] - [ 0.0023148100000000, 0.0008931700000000, -0.0000433200000000 ] - [ 0.0003802400000000, 0.0014898400000000, 0.0010024400000000 ] - [ 0.0041276400000000, 0.0009947500000000, 0.0004210600000000 ] - [ -0.0004402700000000, 0.0000801900000000, 0.0004510600000000 ] - [ -0.0023899100000000, -0.0026630500000000, 0.0003872700000000 ] - [ -0.0153016400000000, 0.0156673900000000, -0.0146551000000000 ] - [ -0.0002808600000000, -0.0032212500000000, -0.0046568600000000 ] - [ -0.0011517500000000, 0.0026050400000000, -0.0020713700000000 ] - [ -0.0017881800000000, 0.0005985400000000, -0.0001899000000000 ] - [ -0.0031735900000000, 0.0095474700000000, 0.0041226700000000 ] - [ 0.0000475800000000, -0.0001189200000000, -0.0002000400000000 ] - [ 0.0001903200000000, -0.0001918600000000, 0.0001162900000000 ] - [ 0.0281196400000000, -0.0282389200000000, 0.0253665900000000 ] - [ -0.0000505500000000, 0.0002812700000000, -0.0000250100000000 ] - [ 0.0031035100000000, -0.0054691500000000, 0.0015225900000000 ] - [ 0.0003089900000000, -0.0005831500000000, -0.0001166700000000 ] - [ 0.0000530400000000, -0.0003757500000000, 0.0000358200000000 ] - [ 0.0004167700000000, 0.0014719300000000, -0.0000536500000000 ] - [ -0.0042378500000000, 0.0069331400000000, -0.0043536500000000 ] - [ 0.0002775000000000, 0.0014971200000000, 0.0006606500000000 ] - [ 0.0003555700000000, 0.0000355800000000, -0.0004121000000000 ] - [ -0.0001285100000000, 0.0000373200000000, 0.0002288700000000 ] - [ 0.0000263800000000, -0.0001547800000000, 0.0000833500000000 ] - [ -0.0009420700000000, 0.0014824700000000, -0.0001454400000000 ] - [ 0.0000337200000000, 0.0003553100000000, -0.0004505200000000 ] - [ -0.0003235200000000, 0.0001266700000000, -0.0000616500000000 ] - [ -0.0002838400000000, -0.0000119600000000, -0.0004358900000000 ] - [ -0.0009981400000000, -0.0000025200000000, 0.0003642400000000 ] - [ -0.0002831000000000, 0.0001612300000000, -0.0002232500000000 ] - [ -0.0000234900000000, 0.0003827000000000, 0.0002069500000000 ] - [ -0.0000539800000000, 0.0003279700000000, 0.0002558100000000 ] - [ -0.0003056600000000, 0.0004158200000000, -0.0005395300000000 ] - [ 0.0001056500000000, 0.0001859200000000, -0.0000703400000000 ] - [ 0.0002287400000000, 0.0006310800000000, -0.0004585800000000 ] - [ -0.0002320800000000, 0.0000659900000000, -0.0000653800000000 ] - [ -0.0007736200000000, 0.0007317800000000, 0.0003002500000000 ] - [ -0.0004679300000000, 0.0001310000000000, 0.0001369600000000 ] - [ -0.0005850700000000, 0.0003315200000000, -0.0000925400000000 ] - [ -0.0006281000000000, 0.0000850100000000, -0.0007538300000000 ] - [ -0.0002057700000000, 0.0005773100000000, -0.0000555400000000 ] - [ 0.0003010000000000, 0.0006543000000000, -0.0000558600000000 ] - [ -0.0033011100000000, -0.0029691800000000, 0.0021673800000000 ] - [ -0.0020854700000000, 0.0004975400000000, -0.0005419900000000 ] - [ -0.0000658100000000, 0.0001687600000000, -0.0001512700000000 ] - [ -0.0007334100000000, 0.0004123700000000, -0.0003058300000000 ] - [ -0.0003013700000000, 0.0001266100000000, 0.0001832900000000 ] - [ -0.0002171600000000, -0.0004457600000000, 0.0000987800000000 ] - [ -0.0003365300000000, 0.0005334100000000, 0.0002615000000000 ] - [ -0.0002657900000000, -0.0000759300000000, -0.0000973100000000 ] - [ 0.0000344900000000, 0.0001996800000000, -0.0000536700000000 ] - [ -0.0002363700000000, 0.0001693700000000, 0.0001462300000000 ] - [ -0.0001994600000000, -0.0000700000000000, -0.0002043800000000 ] - [ -0.0004201200000000, -0.0000080700000000, 0.0000627000000000 ] - [ -0.0000780300000000, 0.0003938100000000, 0.0000929900000000 ] - [ -0.0000741100000000, -0.0000717800000000, -0.0001159200000000 ] - [ -0.0011810000000000, 0.0000264400000000, -0.0003761800000000 ] - [ -0.0002616600000000, -0.0001309900000000, -0.0000773900000000 ] - [ -0.0004786900000000, -0.0000276000000000, -0.0003957200000000 ] - [ -0.0004463100000000, -0.0000215400000000, 0.0005890400000000 ] - [ -0.0004972200000000, -0.0003465500000000, -0.0000154000000000 ] - [ -0.0004808800000000, -0.0002150700000000, 0.0001596700000000 ] - [ 0.0002513200000000, -0.0002588900000000, 0.0000613300000000 ] - [ -0.0000555200000000, 0.0001989400000000, -0.0003288700000000 ] - [ 0.0002561600000000, 0.0006915100000000, -0.0000179600000000 ] - [ 0.0000529800000000, -0.0007039200000000, -0.0003922400000000 ] - [ -0.0065659700000000, 0.0088607200000000, 0.0027199500000000 ] - [ 0.0002337700000000, -0.0005620400000000, -0.0001767000000000 ] - [ 0.0003005000000000, 0.0000334700000000, 0.0000812300000000 ] - [ -0.0036630500000000, -0.0026141600000000, 0.0002836600000000 ] - [ 0.0004881500000000, 0.0000496500000000, 0.0003217600000000 ] - [ 0.0015591200000000, 0.0004442600000000, 0.0001279200000000 ] - [ 0.0006694800000000, 0.0004424800000000, -0.0011168000000000 ] - [ -0.0001042200000000, 0.0002312000000000, -0.0000832200000000 ] - [ -0.0007179000000000, 0.0003043000000000, -0.0002532900000000 ] - [ -0.0000422800000000, 0.0001842800000000, -0.0002623000000000 ] - [ -0.0050410800000000, 0.0004838900000000, -0.0005690900000000 ] - [ -0.0001409400000000, 0.0002979600000000, 0.0000374500000000 ] - [ -0.0005035900000000, 0.0005389900000000, 0.0000411200000000 ] - [ -0.0003204800000000, -0.0005920000000000, -0.0007382600000000 ] - [ 0.0012020400000000, 0.0041681600000000, -0.0004637900000000 ] - [ 0.0006615800000000, 0.0005615800000000, -0.0002043000000000 ] - [ 0.0001847800000000, 0.0004605200000000, -0.0001937400000000 ] - [ 0.0002721800000000, 0.0001504100000000, 0.0000517300000000 ] - [ 0.0009724900000000, -0.0001099600000000, -0.0065777600000000 ] - [ 0.0001615600000000, -0.0004791000000000, -0.0001933400000000 ] - [ 0.0009575100000000, -0.0003429500000000, -0.0001279300000000 ] - [ 0.0007566800000000, 0.0006748900000000, -0.0001971000000000 ] - [ 0.0052494400000000, -0.0007078400000000, -0.0006253700000000 ] - [ 0.0026885600000000, -0.0014662200000000, 0.0020548600000000 ] - [ 0.0002049400000000, 0.0002829300000000, -0.0000593800000000 ] - [ 0.0000765900000000, -0.0003253000000000, -0.0004439300000000 ] - [ 0.0029337700000000, 0.0013534900000000, 0.0026735900000000 ] - [ 0.0004718700000000, -0.0002507200000000, 0.0001061600000000 ] - [ 0.0004755900000000, 0.0000341800000000, -0.0041705400000000 ] - [ 0.0013779300000000, 0.0019565500000000, -0.0038330800000000 ] - [ -0.0010686200000000, -0.0037099100000000, -0.0006417000000000 ] - [ 0.0000430300000000, 0.0001078600000000, -0.0000902100000000 ] - [ -0.0002707800000000, -0.0007355600000000, 0.0000084500000000 ] - [ 0.0001319100000000, 0.0001519600000000, 0.0001304400000000 ] - [ -0.0001632300000000, -0.0000254600000000, -0.0000034100000000 ] - [ -0.0005472600000000, 0.0006824900000000, -0.0012682300000000 ] - [ -0.0004385000000000, 0.0000352100000000, -0.0001758600000000 ] - [ -0.0002894400000000, -0.0002830800000000, 0.0001042300000000 ]- atom: 42 displacement: [ 0.0050000000104457, -0.0086602540318135, 0.0000000000000000 ] forces: - [ 0.0007252700000000, -0.0003679100000000, 0.0006816400000000 ] - [ 0.0001784300000000, -0.0000085200000000, -0.0001354800000000 ] - [ -0.0011408500000000, 0.0009075400000000, 0.0020977100000000 ] - [ -0.0000887800000000, 0.0005135300000000, 0.0004749500000000 ] - [ -0.0002505700000000, 0.0000760100000000, 0.0001579300000000 ] - [ -0.0003266600000000, 0.0004567900000000, 0.0001764600000000 ] - [ -0.0005648200000000, 0.0008160900000000, -0.0003299900000000 ] - [ -0.0006240100000000, -0.0003290500000000, 0.0001067800000000 ] - [ -0.0010122000000000, 0.0004868000000000, -0.0003051500000000 ] - [ -0.0005306500000000, 0.0001632100000000, 0.0000176100000000 ] - [ -0.0002620300000000, -0.0000993900000000, 0.0003606500000000 ] - [ 0.0000277600000000, 0.0002575000000000, 0.0001925700000000 ] - [ 0.0007519900000000, -0.0014117200000000, 0.0007443900000000 ] - [ 0.0004441500000000, 0.0001025000000000, -0.0001721000000000 ] - [ -0.0001854600000000, 0.0003604900000000, 0.0000330100000000 ] - [ -0.0004991500000000, -0.0000442100000000, -0.0006972900000000 ] - [ 0.0001308100000000, 0.0001484100000000, -0.0002588200000000 ] - [ 0.0008072300000000, -0.0001038900000000, -0.0002633200000000 ] - [ 0.0006932100000000, -0.0005688500000000, -0.0008050900000000 ] - [ -0.0000119400000000, 0.0000124000000000, 0.0000377400000000 ] - [ -0.0002431200000000, -0.0001451400000000, -0.0006191200000000 ] - [ 0.0019762900000000, 0.0079456200000000, -0.0028090600000000 ] - [ 0.0000255600000000, 0.0002853600000000, 0.0001978800000000 ] - [ 0.0010942800000000, 0.0010730700000000, -0.0000580300000000 ] - [ -0.0008929000000000, 0.0029386400000000, 0.0003370300000000 ] - [ -0.0004933300000000, 0.0008702000000000, 0.0000198700000000 ] - [ -0.0015521500000000, 0.0010774200000000, 0.0002677400000000 ] - [ -0.0019427100000000, 0.0000406500000000, -0.0001343600000000 ] - [ -0.0008403700000000, -0.0001807700000000, 0.0000509800000000 ] - [ -0.0015587300000000, 0.0000689500000000, 0.0010748200000000 ] - [ 0.0006755800000000, -0.0006284400000000, -0.0004353300000000 ] - [ -0.0036523700000000, -0.0021304900000000, 0.0006082000000000 ] - [ -0.0007705600000000, 0.0000843600000000, 0.0005829300000000 ] - [ 0.0011121900000000, 0.0031567800000000, 0.0001815100000000 ] - [ 0.0152434100000000, -0.0169220300000000, 0.0146048100000000 ] - [ 0.0009957500000000, 0.0041891700000000, 0.0056859000000000 ] - [ 0.0022264800000000, -0.0017456700000000, 0.0026283100000000 ] - [ 0.0022542700000000, -0.0017078700000000, 0.0012587100000000 ] - [ 0.0019529300000000, -0.0094155500000000, -0.0030803000000000 ] - [ -0.0000124600000000, 0.0000642000000000, -0.0001035800000000 ] - [ -0.0003714500000000, -0.0000827900000000, -0.0001006800000000 ] - [ -0.0275280200000000, 0.0282389200000000, -0.0248321500000000 ] - [ -0.0005458000000000, 0.0001509400000000, -0.0000382700000000 ] - [ -0.0032631200000000, 0.0053719500000000, -0.0014132600000000 ] - [ -0.0003082400000000, 0.0000156000000000, 0.0000296800000000 ] - [ -0.0003220800000000, 0.0004778400000000, -0.0000516400000000 ] - [ -0.0005223000000000, -0.0013230800000000, -0.0000786600000000 ] - [ 0.0050389300000000, -0.0067514600000000, 0.0043920200000000 ] - [ -0.0003175700000000, -0.0011429300000000, -0.0003550900000000 ] - [ 0.0000779600000000, -0.0000686200000000, -0.0005014600000000 ] - [ -0.0001702600000000, -0.0002594200000000, 0.0000746600000000 ] - [ 0.0001270100000000, 0.0000553100000000, 0.0000281200000000 ] - [ 0.0011302300000000, -0.0014701900000000, 0.0000156000000000 ] - [ -0.0003943300000000, 0.0000938400000000, -0.0003842100000000 ] - [ 0.0002382300000000, -0.0002959500000000, -0.0000693700000000 ] - [ 0.0000732500000000, -0.0005234600000000, -0.0003997000000000 ] - [ 0.0008482000000000, 0.0002937100000000, -0.0003509500000000 ] - [ 0.0000347300000000, -0.0005198400000000, -0.0006908500000000 ] - [ 0.0000220900000000, -0.0003819500000000, 0.0004526500000000 ] - [ 0.0003923300000000, -0.0004745100000000, 0.0000465100000000 ] - [ 0.0001172800000000, -0.0000224700000000, -0.0003727700000000 ] - [ 0.0003816000000000, 0.0000972900000000, -0.0000136800000000 ] - [ 0.0003391300000000, -0.0005389600000000, -0.0003761700000000 ] - [ 0.0001697000000000, -0.0000732300000000, -0.0002375000000000 ] - [ 0.0006917700000000, -0.0014632100000000, -0.0003598200000000 ] - [ 0.0007911300000000, -0.0001374600000000, -0.0001201300000000 ] - [ 0.0000952700000000, -0.0000466500000000, 0.0000060600000000 ] - [ 0.0006563400000000, -0.0000260300000000, 0.0004510900000000 ] - [ 0.0002100100000000, -0.0003951400000000, 0.0001665100000000 ] - [ -0.0002509500000000, -0.0009309000000000, 0.0000382900000000 ] - [ 0.0033763900000000, 0.0030015500000000, -0.0024785600000000 ] - [ 0.0018496700000000, -0.0007285700000000, 0.0007188800000000 ] - [ 0.0003305800000000, -0.0000455200000000, 0.0002397800000000 ] - [ 0.0001457100000000, 0.0000289700000000, 0.0001285500000000 ] - [ 0.0001667500000000, -0.0001723100000000, 0.0000237800000000 ] - [ 0.0002141800000000, -0.0001214900000000, -0.0003511200000000 ] - [ 0.0000939100000000, -0.0003565500000000, -0.0001693500000000 ] - [ 0.0001620700000000, 0.0002183400000000, -0.0000031100000000 ] - [ 0.0006390900000000, 0.0000887900000000, -0.0001246200000000 ] - [ 0.0002197000000000, 0.0002527200000000, 0.0002180700000000 ] - [ 0.0006070300000000, 0.0000005900000000, -0.0006800400000000 ] - [ 0.0000619800000000, -0.0002216900000000, 0.0003025500000000 ] - [ 0.0001826900000000, -0.0004873800000000, 0.0001134400000000 ] - [ 0.0002517400000000, 0.0000924100000000, 0.0000169000000000 ] - [ 0.0008357700000000, 0.0004112700000000, -0.0005199600000000 ] - [ 0.0001927100000000, -0.0000306500000000, -0.0000215300000000 ] - [ 0.0002689800000000, -0.0004842100000000, -0.0005020700000000 ] - [ 0.0003186800000000, 0.0003075900000000, -0.0004051200000000 ] - [ 0.0002286300000000, 0.0000292500000000, -0.0008655700000000 ] - [ 0.0004787000000000, 0.0002165600000000, 0.0002456900000000 ] - [ 0.0001255300000000, 0.0000654600000000, 0.0003018300000000 ] - [ -0.0000850600000000, 0.0001906100000000, -0.0005569800000000 ] - [ 0.0002347000000000, -0.0004077800000000, -0.0002338500000000 ] - [ 0.0004956800000000, 0.0007859100000000, -0.0005040600000000 ] - [ 0.0063636200000000, -0.0087642200000000, -0.0030280900000000 ] - [ -0.0003222700000000, -0.0001701000000000, -0.0000000900000000 ] - [ 0.0000157800000000, -0.0000665100000000, 0.0001000800000000 ] - [ 0.0031737300000000, 0.0028845600000000, -0.0005240100000000 ] - [ -0.0005503000000000, 0.0000188400000000, -0.0006433500000000 ] - [ -0.0015419700000000, -0.0003072700000000, 0.0000805500000000 ] - [ -0.0007005100000000, -0.0007356600000000, 0.0012093400000000 ] - [ 0.0001710500000000, -0.0002425800000000, -0.0000119500000000 ] - [ 0.0004782500000000, -0.0005087900000000, 0.0002731000000000 ] - [ 0.0003050200000000, -0.0000584200000000, 0.0001237000000000 ] - [ 0.0044422700000000, -0.0000464100000000, 0.0003179900000000 ] - [ 0.0000161600000000, -0.0003357000000000, -0.0000365200000000 ] - [ 0.0005029500000000, -0.0011105000000000, -0.0000758500000000 ] - [ 0.0000775900000000, 0.0007605100000000, 0.0005976200000000 ] - [ -0.0013056300000000, -0.0040193600000000, 0.0002022800000000 ] - [ 0.0000123900000000, -0.0002646100000000, -0.0000512600000000 ] - [ -0.0001988200000000, -0.0000365600000000, 0.0004687400000000 ] - [ 0.0001475100000000, -0.0001977200000000, -0.0007406400000000 ] - [ -0.0013298300000000, -0.0001123700000000, 0.0068224800000000 ] - [ -0.0000668500000000, 0.0003891300000000, 0.0001912700000000 ] - [ -0.0007746000000000, 0.0003609200000000, -0.0001269200000000 ] - [ -0.0010571300000000, -0.0002435700000000, -0.0005873100000000 ] - [ -0.0053132400000000, 0.0005290700000000, 0.0003964800000000 ] - [ -0.0028901800000000, 0.0009625300000000, -0.0028254100000000 ] - [ -0.0002703000000000, 0.0000207200000000, 0.0000793100000000 ] - [ -0.0003279900000000, -0.0000132300000000, -0.0002460200000000 ] - [ -0.0029089200000000, -0.0013481100000000, -0.0021735200000000 ] - [ -0.0000948200000000, 0.0000540000000000, 0.0001692500000000 ] - [ -0.0006355700000000, 0.0003485800000000, 0.0034421900000000 ] - [ -0.0008912700000000, -0.0016451300000000, 0.0038205700000000 ] - [ 0.0015878100000000, 0.0037384900000000, -0.0001439200000000 ] - [ -0.0000846500000000, -0.0001678000000000, -0.0000069200000000 ] - [ 0.0001892000000000, 0.0000048900000000, -0.0002614500000000 ] - [ 0.0001643200000000, -0.0002427200000000, -0.0001110700000000 ] - [ -0.0003322500000000, 0.0003118700000000, -0.0000316600000000 ] - [ 0.0005245300000000, -0.0006165500000000, 0.0011786000000000 ] - [ 0.0004624200000000, 0.0000894400000000, 0.0001751500000000 ] - [ 0.0002657900000000, -0.0000068300000000, -0.0002442300000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005384800000000, -0.0018004500000000, 0.0006433500000000 ] - [ 0.0000912800000000, -0.0001461400000000, -0.0000099000000000 ] - [ 0.0021230000000000, -0.0014790600000000, 0.0006196300000000 ] - [ -0.0000121900000000, 0.0000670700000000, 0.0004886400000000 ] - [ -0.0002894700000000, 0.0001302200000000, 0.0002278900000000 ] - [ -0.0001550300000000, 0.0002638000000000, 0.0002565800000000 ] - [ -0.0005453100000000, 0.0010555800000000, 0.0000590200000000 ] - [ -0.0013091100000000, -0.0004422000000000, 0.0004453200000000 ] - [ -0.0009776300000000, 0.0009227100000000, 0.0001117200000000 ] - [ -0.0001978200000000, 0.0002118400000000, 0.0001493700000000 ] - [ -0.0003081200000000, -0.0000689600000000, 0.0004544000000000 ] - [ 0.0000516400000000, -0.0000901300000000, 0.0002724600000000 ] - [ 0.0026491600000000, 0.0001798000000000, 0.0010459900000000 ] - [ 0.0002813300000000, -0.0001054900000000, -0.0000298100000000 ] - [ -0.0000683200000000, 0.0001975100000000, -0.0002910200000000 ] - [ -0.0004915900000000, 0.0002305700000000, -0.0018054500000000 ] - [ 0.0000721500000000, -0.0000530400000000, -0.0004989900000000 ] - [ 0.0009736500000000, -0.0001268500000000, -0.0018190700000000 ] - [ 0.0011288600000000, -0.0003071900000000, -0.0030039600000000 ] - [ -0.0001784000000000, -0.0000568000000000, -0.0002829700000000 ] - [ -0.0005521200000000, 0.0000871800000000, -0.0017275300000000 ] - [ 0.0015449500000000, 0.0084398000000000, 0.0025807700000000 ] - [ -0.0006596100000000, -0.0004898000000000, 0.0004846500000000 ] - [ 0.0007810300000000, 0.0002257200000000, -0.0009544400000000 ] - [ 0.0001470600000000, 0.0017017900000000, 0.0006200500000000 ] - [ 0.0001831200000000, 0.0003726900000000, -0.0014018300000000 ] - [ -0.0014569800000000, 0.0008353300000000, -0.0002854200000000 ] - [ -0.0025281700000000, 0.0001854400000000, -0.0009738600000000 ] - [ -0.0008528300000000, -0.0002857100000000, -0.0005134000000000 ] - [ -0.0009194900000000, 0.0002348400000000, 0.0014456700000000 ] - [ 0.0001912900000000, -0.0006112400000000, -0.0018983000000000 ] - [ -0.0063495200000000, -0.0019600100000000, 0.0016955800000000 ] - [ -0.0013663900000000, -0.0005333600000000, 0.0007403900000000 ] - [ 0.0013909600000000, 0.0043012500000000, 0.0020024500000000 ] - [ 0.0100532000000000, -0.0070928700000000, 0.0254322400000000 ] - [ 0.0056024700000000, -0.0037395000000000, 0.0049477800000000 ] - [ 0.0063453200000000, 0.0011264500000000, 0.0044838900000000 ] - [ -0.0002381800000000, -0.0056690800000000, 0.0016975600000000 ] - [ 0.0051569600000000, 0.0005185700000000, 0.0163179700000000 ] - [ 0.0001359300000000, 0.0001490500000000, -0.0000233200000000 ] - [ -0.0000828200000000, 0.0001226500000000, -0.0001846500000000 ] - [ -0.0332116600000000, 0.0093554800000000, -0.0729236800000000 ] - [ 0.0000330000000000, 0.0005032700000000, -0.0002695200000000 ] - [ -0.0001677800000000, 0.0078593600000000, 0.0072983300000000 ] - [ 0.0000042100000000, 0.0003017700000000, 0.0005577800000000 ] - [ 0.0001445700000000, -0.0000567600000000, -0.0013702800000000 ] - [ -0.0004333100000000, -0.0008918400000000, -0.0002291700000000 ] - [ 0.0020224900000000, -0.0065566800000000, -0.0012808400000000 ] - [ -0.0003725600000000, 0.0003273500000000, -0.0019823500000000 ] - [ 0.0001340800000000, 0.0002532500000000, -0.0001514600000000 ] - [ -0.0000982600000000, -0.0001524800000000, -0.0001680200000000 ] - [ -0.0001307000000000, -0.0002624500000000, 0.0001412700000000 ] - [ 0.0008351700000000, -0.0010632500000000, -0.0001842400000000 ] - [ -0.0004502600000000, 0.0003887100000000, -0.0000452800000000 ] - [ 0.0001444400000000, -0.0002227000000000, -0.0001157400000000 ] - [ 0.0000117600000000, -0.0003529800000000, -0.0003391400000000 ] - [ 0.0000966200000000, 0.0002153500000000, -0.0005308300000000 ] - [ -0.0001902700000000, -0.0000689000000000, -0.0000969500000000 ] - [ -0.0000199600000000, -0.0002320300000000, 0.0005579000000000 ] - [ 0.0002644700000000, -0.0003298100000000, -0.0002583800000000 ] - [ 0.0001074400000000, 0.0000181000000000, -0.0002662800000000 ] - [ 0.0004255100000000, 0.0001171400000000, 0.0000790200000000 ] - [ 0.0003119100000000, -0.0003344200000000, -0.0002903100000000 ] - [ 0.0000762900000000, 0.0000207900000000, 0.0000038600000000 ] - [ -0.0002371800000000, -0.0006605100000000, -0.0005700700000000 ] - [ 0.0009357100000000, -0.0005926300000000, -0.0005153200000000 ] - [ -0.0000946500000000, -0.0000208300000000, 0.0001191500000000 ] - [ 0.0010664200000000, -0.0001435500000000, 0.0009222800000000 ] - [ 0.0001932100000000, -0.0004781000000000, 0.0001171900000000 ] - [ 0.0000660700000000, -0.0000244200000000, -0.0013674200000000 ] - [ 0.0031491900000000, 0.0019352100000000, -0.0077605800000000 ] - [ 0.0084087900000000, -0.0038551300000000, 0.0019693000000000 ] - [ 0.0004185300000000, 0.0000050700000000, 0.0003728700000000 ] - [ 0.0000501000000000, -0.0002080600000000, 0.0003641900000000 ] - [ 0.0002434000000000, -0.0000773000000000, -0.0000787400000000 ] - [ -0.0000406300000000, -0.0001186800000000, -0.0006727300000000 ] - [ -0.0000566100000000, -0.0001511600000000, 0.0001083700000000 ] - [ 0.0002521300000000, 0.0001720100000000, 0.0000999200000000 ] - [ 0.0005850600000000, 0.0000915700000000, 0.0000304700000000 ] - [ 0.0002979100000000, 0.0002094200000000, 0.0003782000000000 ] - [ 0.0007193700000000, -0.0001080300000000, -0.0011951900000000 ] - [ 0.0000933300000000, -0.0002102300000000, 0.0004052200000000 ] - [ 0.0001311000000000, -0.0003415500000000, -0.0000137300000000 ] - [ 0.0003708400000000, -0.0000307600000000, 0.0001682400000000 ] - [ 0.0011446100000000, 0.0003627300000000, -0.0006688100000000 ] - [ 0.0003476300000000, 0.0000326300000000, 0.0000497400000000 ] - [ 0.0002301400000000, -0.0003969700000000, -0.0005709900000000 ] - [ -0.0009598700000000, 0.0002701600000000, 0.0000096500000000 ] - [ 0.0001154700000000, -0.0000909500000000, -0.0017641800000000 ] - [ 0.0006591600000000, 0.0003472100000000, 0.0003006600000000 ] - [ 0.0000334300000000, -0.0001119400000000, 0.0006285800000000 ] - [ -0.0000133500000000, 0.0002986600000000, -0.0007890400000000 ] - [ 0.0003065100000000, -0.0002780600000000, -0.0004068700000000 ] - [ 0.0008753000000000, 0.0011336000000000, -0.0005868100000000 ] - [ 0.0012061400000000, -0.0042582000000000, -0.0087165600000000 ] - [ -0.0001917300000000, -0.0000560500000000, 0.0001452200000000 ] - [ 0.0000185400000000, 0.0007513000000000, 0.0002754600000000 ] - [ 0.0067558000000000, 0.0030605500000000, -0.0022273000000000 ] - [ -0.0007885200000000, 0.0005015500000000, -0.0015952200000000 ] - [ -0.0013326800000000, -0.0002311300000000, -0.0009427400000000 ] - [ -0.0006804300000000, -0.0009137800000000, 0.0012174200000000 ] - [ -0.0000311000000000, -0.0001850000000000, 0.0002049300000000 ] - [ 0.0004733600000000, -0.0006004400000000, 0.0004505400000000 ] - [ 0.0003818800000000, -0.0000176000000000, 0.0002600800000000 ] - [ 0.0090787100000000, -0.0005064200000000, 0.0009740900000000 ] - [ -0.0000313900000000, -0.0001165000000000, 0.0001009800000000 ] - [ -0.0001270200000000, -0.0001208400000000, 0.0000195000000000 ] - [ 0.0005217000000000, 0.0010538000000000, 0.0011076600000000 ] - [ -0.0024735400000000, -0.0087540600000000, -0.0003223800000000 ] - [ 0.0000370200000000, -0.0001605900000000, -0.0000327200000000 ] - [ -0.0002446000000000, -0.0001053900000000, 0.0007556500000000 ] - [ -0.0002446300000000, 0.0003600000000000, 0.0006971200000000 ] - [ -0.0018531100000000, -0.0004786500000000, 0.0112055900000000 ] - [ -0.0002809900000000, 0.0000725900000000, 0.0009008000000000 ] - [ -0.0007632000000000, -0.0003263900000000, -0.0003399900000000 ] - [ -0.0007512500000000, 0.0006832000000000, -0.0002431200000000 ] - [ -0.0113821700000000, -0.0050192700000000, 0.0046836000000000 ] - [ -0.0058333300000000, 0.0078042600000000, 0.0048501800000000 ] - [ -0.0000812400000000, 0.0002128300000000, 0.0001382900000000 ] - [ -0.0001924000000000, 0.0002996300000000, 0.0004405200000000 ] - [ -0.0006582600000000, 0.0049715800000000, -0.0013814500000000 ] - [ -0.0003921400000000, -0.0001225000000000, 0.0010329000000000 ] - [ -0.0014338900000000, 0.0001525600000000, 0.0094480800000000 ] - [ -0.0014577400000000, -0.0078161300000000, 0.0055027400000000 ] - [ 0.0037079400000000, 0.0080245400000000, 0.0002908000000000 ] - [ -0.0000008400000000, 0.0000709300000000, 0.0002347200000000 ] - [ -0.0005345800000000, -0.0001562200000000, -0.0001953300000000 ] - [ -0.0001682900000000, -0.0000112700000000, 0.0007603300000000 ] - [ 0.0004727100000000, 0.0006248500000000, -0.0000666100000000 ] - [ 0.0005286900000000, -0.0009678900000000, 0.0011818600000000 ] - [ 0.0008888200000000, 0.0000754100000000, 0.0004509300000000 ] - [ 0.0002036700000000, -0.0000929300000000, -0.0000052400000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004553100000000, 0.0017155500000000, -0.0004022400000000 ] - [ -0.0001541500000000, 0.0000420500000000, -0.0003199000000000 ] - [ -0.0021602800000000, 0.0015660500000000, -0.0009836300000000 ] - [ 0.0000131000000000, -0.0000710300000000, 0.0001048900000000 ] - [ 0.0003982900000000, -0.0001551800000000, 0.0000273400000000 ] - [ 0.0001233400000000, -0.0001594500000000, 0.0000004200000000 ] - [ 0.0006690100000000, -0.0010609700000000, -0.0003934700000000 ] - [ 0.0012314500000000, 0.0003610700000000, -0.0002072400000000 ] - [ 0.0009181200000000, -0.0010286600000000, -0.0004371800000000 ] - [ 0.0001346900000000, -0.0001024000000000, -0.0004785900000000 ] - [ 0.0003060600000000, 0.0000697400000000, 0.0001322800000000 ] - [ 0.0000544700000000, 0.0000668500000000, -0.0000386900000000 ] - [ -0.0027210100000000, -0.0000799300000000, -0.0007717200000000 ] - [ -0.0001586700000000, 0.0001027100000000, -0.0002998100000000 ] - [ -0.0000028900000000, -0.0002785700000000, 0.0005300100000000 ] - [ 0.0004364800000000, -0.0003380500000000, 0.0014646400000000 ] - [ -0.0001326100000000, 0.0001584400000000, 0.0001508000000000 ] - [ -0.0009769500000000, 0.0001186400000000, 0.0024241000000000 ] - [ -0.0010242200000000, 0.0002949600000000, 0.0032448700000000 ] - [ 0.0001427600000000, 0.0001569600000000, 0.0005215300000000 ] - [ 0.0006712600000000, -0.0000845200000000, 0.0013716100000000 ] - [ -0.0028007000000000, -0.0079816800000000, -0.0019828300000000 ] - [ 0.0008556700000000, -0.0008690000000000, 0.0000415800000000 ] - [ -0.0000250500000000, 0.0007418200000000, 0.0020381300000000 ] - [ 0.0009240600000000, -0.0008550200000000, -0.0000941800000000 ] - [ 0.0002858100000000, -0.0015140700000000, 0.0024791200000000 ] - [ 0.0002466600000000, -0.0006739400000000, 0.0013685000000000 ] - [ 0.0012505500000000, 0.0003066100000000, 0.0015402700000000 ] - [ 0.0010616600000000, -0.0010602500000000, 0.0010802300000000 ] - [ 0.0016879500000000, 0.0007352400000000, -0.0004178700000000 ] - [ 0.0008692900000000, 0.0014800500000000, 0.0024758400000000 ] - [ 0.0068232800000000, 0.0008327700000000, -0.0006904900000000 ] - [ 0.0001510900000000, 0.0006995600000000, 0.0002886400000000 ] - [ -0.0026671700000000, -0.0038222500000000, -0.0014442500000000 ] - [ -0.0108668700000000, 0.0065765400000000, -0.0265137600000000 ] - [ -0.0048508800000000, 0.0047210300000000, -0.0038190800000000 ] - [ -0.0052837100000000, -0.0002556900000000, -0.0039530100000000 ] - [ 0.0007100900000000, 0.0045248400000000, -0.0006100800000000 ] - [ -0.0053594200000000, -0.0001333100000000, -0.0140995200000000 ] - [ -0.0001008900000000, -0.0002037600000000, -0.0002796600000000 ] - [ -0.0000948800000000, -0.0003962400000000, 0.0002014500000000 ] - [ 0.0334830700000000, -0.0101237000000000, 0.0733963300000000 ] - [ -0.0006246700000000, -0.0000679300000000, 0.0002054100000000 ] - [ 0.0000037400000000, -0.0080733900000000, -0.0072761500000000 ] - [ -0.0000045600000000, -0.0008732200000000, -0.0006449100000000 ] - [ -0.0004142200000000, 0.0001581700000000, 0.0013518600000000 ] - [ 0.0003323100000000, 0.0010561700000000, 0.0000947000000000 ] - [ -0.0013698300000000, 0.0068431800000000, 0.0011520200000000 ] - [ 0.0003327600000000, 0.0000561800000000, 0.0022825600000000 ] - [ 0.0003009300000000, -0.0002846400000000, -0.0007584200000000 ] - [ -0.0001990100000000, -0.0000668400000000, 0.0004704600000000 ] - [ 0.0002865200000000, 0.0001654900000000, -0.0000295000000000 ] - [ -0.0006548500000000, 0.0010867700000000, 0.0000513300000000 ] - [ 0.0000907100000000, 0.0000589200000000, -0.0007884900000000 ] - [ -0.0002273000000000, 0.0000560600000000, -0.0000162800000000 ] - [ -0.0002223500000000, -0.0001805500000000, -0.0004962100000000 ] - [ -0.0002588200000000, 0.0000724000000000, 0.0005460200000000 ] - [ -0.0000603700000000, -0.0002861600000000, -0.0008093300000000 ] - [ 0.0000186100000000, 0.0002343900000000, 0.0001003600000000 ] - [ 0.0000722500000000, 0.0001847300000000, 0.0005610000000000 ] - [ -0.0002963300000000, 0.0003772100000000, -0.0006451200000000 ] - [ 0.0000632100000000, 0.0001681200000000, -0.0001630900000000 ] - [ 0.0002557900000000, 0.0004291200000000, -0.0005438700000000 ] - [ -0.0001391000000000, -0.0000284700000000, -0.0003053200000000 ] - [ 0.0001574500000000, -0.0000760300000000, 0.0005062500000000 ] - [ -0.0006120200000000, 0.0005887200000000, 0.0005362100000000 ] - [ -0.0003976600000000, 0.0003057000000000, -0.0002050300000000 ] - [ -0.0010402600000000, 0.0002015800000000, -0.0012247100000000 ] - [ -0.0001930500000000, 0.0006629200000000, -0.0000055100000000 ] - [ -0.0000219800000000, -0.0002588900000000, 0.0013545800000000 ] - [ -0.0031046700000000, -0.0019335900000000, 0.0073954000000000 ] - [ -0.0085331300000000, 0.0035625100000000, -0.0017716200000000 ] - [ -0.0001531300000000, 0.0001199100000000, -0.0002857600000000 ] - [ -0.0006386300000000, 0.0006448700000000, -0.0005405500000000 ] - [ -0.0003765700000000, 0.0000350200000000, 0.0002858400000000 ] - [ 0.0000389100000000, -0.0004516800000000, 0.0004206000000000 ] - [ -0.0001875100000000, 0.0003276500000000, -0.0000192100000000 ] - [ -0.0003547300000000, -0.0000315900000000, -0.0002002100000000 ] - [ 0.0000881000000000, 0.0001988400000000, -0.0002096300000000 ] - [ -0.0003125000000000, 0.0002124500000000, -0.0000154200000000 ] - [ -0.0003114600000000, 0.0000364500000000, 0.0003068300000000 ] - [ -0.0004517800000000, -0.0000197700000000, -0.0000416400000000 ] - [ -0.0000289000000000, 0.0002477800000000, 0.0002197600000000 ] - [ -0.0001925800000000, 0.0000497600000000, -0.0002684100000000 ] - [ -0.0014903900000000, 0.0000748500000000, -0.0002269500000000 ] - [ -0.0004166100000000, -0.0001941600000000, -0.0001493800000000 ] - [ -0.0004411100000000, -0.0001151000000000, -0.0003264600000000 ] - [ 0.0008294800000000, 0.0000158900000000, 0.0001641900000000 ] - [ -0.0003801200000000, -0.0002257800000000, 0.0008878500000000 ] - [ -0.0006617700000000, -0.0003464700000000, 0.0001054100000000 ] - [ 0.0003447900000000, -0.0000811600000000, -0.0002712300000000 ] - [ -0.0001266000000000, 0.0000914100000000, -0.0000965400000000 ] - [ 0.0001836300000000, 0.0005651700000000, 0.0001562900000000 ] - [ -0.0003241200000000, -0.0010531400000000, -0.0003076400000000 ] - [ -0.0011847200000000, 0.0041062600000000, 0.0084435900000000 ] - [ 0.0001045700000000, -0.0006761000000000, -0.0003232300000000 ] - [ 0.0002977400000000, -0.0007784900000000, -0.0000937400000000 ] - [ -0.0072554000000000, -0.0028091600000000, 0.0020317500000000 ] - [ 0.0007242800000000, -0.0004322600000000, 0.0012720800000000 ] - [ 0.0013607900000000, 0.0003851900000000, 0.0011368800000000 ] - [ 0.0006545400000000, 0.0006213300000000, -0.0011381700000000 ] - [ 0.0000987700000000, 0.0001758000000000, -0.0003040500000000 ] - [ -0.0007166000000000, 0.0003989300000000, -0.0004317400000000 ] - [ -0.0001190600000000, 0.0001441700000000, -0.0003983900000000 ] - [ -0.0097629300000000, 0.0009414100000000, -0.0012371500000000 ] - [ -0.0000940500000000, 0.0000796300000000, -0.0001004100000000 ] - [ 0.0001235700000000, -0.0004506500000000, -0.0000568000000000 ] - [ -0.0007665600000000, -0.0008881800000000, -0.0012478200000000 ] - [ 0.0023943700000000, 0.0089659300000000, 0.0000737900000000 ] - [ 0.0006381200000000, 0.0004610400000000, -0.0002224600000000 ] - [ 0.0002302800000000, 0.0005332600000000, -0.0004799100000000 ] - [ 0.0006589800000000, -0.0004003200000000, -0.0013963100000000 ] - [ 0.0015060100000000, 0.0002425800000000, -0.0109881400000000 ] - [ 0.0003702900000000, -0.0001661200000000, -0.0009060600000000 ] - [ 0.0009468800000000, 0.0003472700000000, 0.0000872900000000 ] - [ 0.0004437800000000, -0.0002538900000000, -0.0005453700000000 ] - [ 0.0114333800000000, 0.0049140800000000, -0.0049960500000000 ] - [ 0.0055453200000000, -0.0081931000000000, -0.0055561100000000 ] - [ 0.0000183500000000, 0.0000938000000000, -0.0001187300000000 ] - [ -0.0000581400000000, -0.0006317900000000, -0.0011312500000000 ] - [ 0.0006353200000000, -0.0049905700000000, 0.0018207000000000 ] - [ 0.0007746000000000, -0.0000725100000000, -0.0007520400000000 ] - [ 0.0012555400000000, 0.0002282100000000, -0.0101024800000000 ] - [ 0.0019244400000000, 0.0079907500000000, -0.0054654400000000 ] - [ -0.0031569900000000, -0.0079034800000000, -0.0010711200000000 ] - [ -0.0000393400000000, -0.0001287600000000, -0.0003328900000000 ] - [ 0.0004518300000000, -0.0005811900000000, -0.0000539600000000 ] - [ 0.0004660000000000, -0.0000866400000000, -0.0007346700000000 ] - [ -0.0009611600000000, -0.0003321300000000, 0.0000291900000000 ] - [ -0.0005562900000000, 0.0010311000000000, -0.0012863800000000 ] - [ -0.0008586600000000, 0.0000496000000000, -0.0004494500000000 ] - [ -0.0002274800000000, -0.0001986100000000, -0.0001326300000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000065404, 0.0000000000000000 ] forces: - [ 0.0005061300000000, -0.0003797000000000, 0.0002192100000000 ] - [ 0.0033082100000000, -0.0000136400000000, -0.0006483300000000 ] - [ -0.0001715400000000, -0.0004904100000000, -0.0001494200000000 ] - [ -0.0009564800000000, -0.0010061600000000, 0.0012864500000000 ] - [ 0.0001267900000000, 0.0013367500000000, 0.0013240300000000 ] - [ -0.0007078400000000, 0.0001077200000000, 0.0001719000000000 ] - [ -0.0008828000000000, 0.0001472400000000, -0.0001314000000000 ] - [ 0.0014477300000000, 0.0007794800000000, 0.0000473500000000 ] - [ -0.0002841400000000, -0.0003102300000000, -0.0001817100000000 ] - [ -0.0013955500000000, 0.0010975900000000, -0.0002512800000000 ] - [ -0.0000741700000000, 0.0005857800000000, 0.0003651400000000 ] - [ -0.0017425900000000, 0.0010390600000000, 0.0000939700000000 ] - [ -0.0001210000000000, -0.0001858900000000, 0.0001018700000000 ] - [ 0.0029528300000000, 0.0013790900000000, -0.0000970900000000 ] - [ -0.0009930500000000, 0.0000576200000000, 0.0001354200000000 ] - [ -0.0005814400000000, 0.0000397600000000, -0.0001142700000000 ] - [ 0.0002764200000000, 0.0008354100000000, 0.0011033400000000 ] - [ -0.0004441100000000, -0.0006908100000000, 0.0008290100000000 ] - [ 0.0000027200000000, -0.0005520300000000, 0.0000973800000000 ] - [ 0.0016926000000000, 0.0003367900000000, -0.0001230800000000 ] - [ 0.0003216100000000, -0.0003006000000000, -0.0000851800000000 ] - [ -0.0022406300000000, -0.0067479900000000, -0.0005911600000000 ] - [ 0.0377108700000000, -0.0035010300000000, 0.0064518600000000 ] - [ 0.0027573100000000, -0.0023848800000000, -0.0027246100000000 ] - [ -0.0069926600000000, -0.0008589200000000, -0.0004252400000000 ] - [ -0.0015032100000000, -0.0022113600000000, 0.0001293800000000 ] - [ -0.0042767600000000, 0.0004055400000000, -0.0026740800000000 ] - [ -0.0001711500000000, 0.0025999600000000, -0.0003967100000000 ] - [ -0.0012464200000000, 0.0007041700000000, 0.0005191000000000 ] - [ 0.0008128800000000, 0.0013031200000000, 0.0005722700000000 ] - [ 0.0014887400000000, 0.0010406400000000, 0.0005101100000000 ] - [ -0.0006532000000000, 0.0011019200000000, 0.0006668700000000 ] - [ -0.0009285300000000, 0.0029479300000000, -0.0009948700000000 ] - [ -0.0052641800000000, 0.0002312800000000, -0.0042761700000000 ] - [ -0.0012089700000000, -0.0022984300000000, -0.0001684700000000 ] - [ -0.0062050000000000, -0.0012140100000000, 0.0005116700000000 ] - [ 0.0031413000000000, -0.0021643800000000, -0.0025143000000000 ] - [ 0.0125370700000000, -0.0046617100000000, 0.0037824400000000 ] - [ -0.0017826700000000, -0.0054335200000000, 0.0003572200000000 ] - [ -0.0003930300000000, -0.0003988600000000, 0.0003652000000000 ] - [ -0.0005597000000000, -0.0012209400000000, 0.0008628300000000 ] - [ 0.0004476600000000, 0.0005711900000000, 0.0003187500000000 ] - [ -0.0742807600000000, 0.0075299800000000, -0.0059597200000000 ] - [ -0.0001518600000000, 0.0005695400000000, 0.0001664500000000 ] - [ -0.0006380000000000, 0.0004271300000000, -0.0000260900000000 ] - [ -0.0026541200000000, 0.0057086300000000, 0.0049434200000000 ] - [ 0.0036654400000000, 0.0092997100000000, 0.0002938000000000 ] - [ 0.0009082500000000, 0.0017312700000000, -0.0000292500000000 ] - [ 0.0001328600000000, 0.0010026600000000, -0.0002296300000000 ] - [ -0.0003628900000000, 0.0002749100000000, -0.0004993100000000 ] - [ 0.0056797800000000, -0.0010956100000000, -0.0097754400000000 ] - [ -0.0014977600000000, -0.0007921400000000, 0.0003438400000000 ] - [ 0.0008648900000000, 0.0006003000000000, 0.0000060900000000 ] - [ 0.0001878600000000, 0.0006893500000000, -0.0003257900000000 ] - [ 0.0109359600000000, 0.0022304900000000, -0.0012703600000000 ] - [ -0.0004513900000000, 0.0000498500000000, -0.0000932300000000 ] - [ 0.0000450900000000, 0.0002538800000000, -0.0000288100000000 ] - [ 0.0002438900000000, 0.0001286900000000, -0.0005360800000000 ] - [ 0.0005252700000000, 0.0007569700000000, 0.0010638700000000 ] - [ 0.0011070000000000, 0.0000405400000000, -0.0001921900000000 ] - [ 0.0003426900000000, 0.0000007500000000, -0.0006256700000000 ] - [ -0.0000338000000000, -0.0007912600000000, 0.0001187100000000 ] - [ 0.0009673500000000, 0.0007296300000000, -0.0003063700000000 ] - [ 0.0000735000000000, -0.0001540600000000, -0.0002537000000000 ] - [ 0.0016837200000000, -0.0012880300000000, 0.0000794800000000 ] - [ 0.0007201300000000, -0.0008695200000000, -0.0003288600000000 ] - [ 0.0005678400000000, 0.0001820400000000, -0.0000345000000000 ] - [ 0.0002454100000000, -0.0003097700000000, 0.0000777800000000 ] - [ 0.0015581200000000, -0.0002295800000000, 0.0004007800000000 ] - [ 0.0013399900000000, 0.0001313600000000, -0.0001664100000000 ] - [ -0.0000647300000000, 0.0006901500000000, 0.0000330200000000 ] - [ -0.0007735500000000, 0.0005517800000000, -0.0000043900000000 ] - [ 0.0044197100000000, -0.0029696500000000, 0.0095222000000000 ] - [ 0.0003261100000000, 0.0004367700000000, -0.0001058100000000 ] - [ 0.0007829700000000, -0.0084849600000000, -0.0025085000000000 ] - [ -0.0011051300000000, -0.0002222800000000, -0.0003889200000000 ] - [ 0.0003056700000000, 0.0004452000000000, 0.0004681400000000 ] - [ -0.0002423500000000, -0.0006544000000000, -0.0000459800000000 ] - [ 0.0005855100000000, -0.0008553000000000, 0.0002060500000000 ] - [ -0.0000382700000000, -0.0003810800000000, 0.0005106500000000 ] - [ 0.0001597700000000, -0.0002145700000000, -0.0005494600000000 ] - [ 0.0000689100000000, -0.0004266800000000, 0.0000340200000000 ] - [ 0.0014300800000000, 0.0006354700000000, -0.0001705000000000 ] - [ 0.0004351400000000, -0.0004812100000000, -0.0000475600000000 ] - [ -0.0002603800000000, -0.0003121500000000, -0.0006062400000000 ] - [ -0.0001572600000000, -0.0004644900000000, -0.0001493600000000 ] - [ 0.0003871200000000, -0.0008140700000000, -0.0003932000000000 ] - [ 0.0012167800000000, 0.0006608700000000, -0.0001301600000000 ] - [ 0.0000235400000000, -0.0004934500000000, -0.0005380200000000 ] - [ 0.0000305700000000, -0.0005330200000000, 0.0002510500000000 ] - [ 0.0000816200000000, -0.0004156500000000, -0.0001438000000000 ] - [ 0.0000889300000000, -0.0006694600000000, 0.0001232100000000 ] - [ 0.0006699100000000, -0.0008047700000000, 0.0002160200000000 ] - [ 0.0000270300000000, -0.0008098500000000, -0.0003964000000000 ] - [ 0.0004616000000000, 0.0003689600000000, 0.0002852500000000 ] - [ -0.0013266100000000, -0.0001840200000000, -0.0004395600000000 ] - [ 0.0079012100000000, -0.0054464700000000, -0.0075664000000000 ] - [ 0.0001520400000000, 0.0003403600000000, -0.0001655800000000 ] - [ 0.0078034700000000, 0.0002991600000000, 0.0062172200000000 ] - [ -0.0011124800000000, 0.0007329700000000, -0.0000513100000000 ] - [ -0.0002238100000000, 0.0005816100000000, 0.0004768500000000 ] - [ 0.0010876900000000, 0.0000804100000000, 0.0000744900000000 ] - [ 0.0012135500000000, -0.0005329400000000, 0.0002755500000000 ] - [ 0.0004702600000000, -0.0002517400000000, 0.0002785700000000 ] - [ 0.0003222900000000, 0.0001751100000000, -0.0000866600000000 ] - [ 0.0006246700000000, -0.0008432100000000, -0.0004321600000000 ] - [ 0.0020043300000000, -0.0012125800000000, 0.0002382300000000 ] - [ -0.0000774800000000, -0.0000611300000000, -0.0001491400000000 ] - [ 0.0005367700000000, 0.0010980900000000, 0.0000024000000000 ] - [ 0.0001480000000000, -0.0006588400000000, 0.0002738600000000 ] - [ 0.0003033900000000, 0.0002121800000000, 0.0004708100000000 ] - [ 0.0009627700000000, 0.0001396600000000, -0.0007740800000000 ] - [ 0.0000781600000000, 0.0001483300000000, 0.0001245300000000 ] - [ 0.0000048200000000, 0.0000011800000000, -0.0000210800000000 ] - [ -0.0003403700000000, 0.0008366100000000, 0.0005163600000000 ] - [ 0.0067657800000000, 0.0004435400000000, -0.0010792300000000 ] - [ 0.0003209800000000, 0.0003006400000000, -0.0000460800000000 ] - [ 0.0003052900000000, 0.0003346400000000, -0.0005809600000000 ] - [ -0.0016882900000000, -0.0005016200000000, 0.0004750500000000 ] - [ -0.0016032200000000, -0.0000401300000000, -0.0065747100000000 ] - [ 0.0026580700000000, 0.0029922200000000, 0.0011495700000000 ] - [ -0.0002031600000000, 0.0000902200000000, 0.0003066700000000 ] - [ 0.0000604600000000, 0.0008087800000000, -0.0007000400000000 ] - [ 0.0006005100000000, 0.0018136600000000, 0.0001512100000000 ] - [ -0.0005907200000000, 0.0067662900000000, -0.0012838900000000 ] - [ -0.0020100300000000, 0.0041623700000000, 0.0078647400000000 ] - [ -0.0004567500000000, 0.0002471800000000, -0.0000656900000000 ] - [ 0.0001792700000000, 0.0005955900000000, 0.0001123500000000 ] - [ -0.0127540100000000, -0.0053274200000000, 0.0036689000000000 ] - [ 0.0004012100000000, 0.0003523800000000, 0.0004014200000000 ] - [ -0.0005305200000000, -0.0002033900000000, 0.0001043300000000 ] - [ -0.0003213900000000, -0.0005021100000000, 0.0002739400000000 ]- atom: 43 displacement: [ -0.0100000000000000, -0.0000000000065404, 0.0000000000000000 ] forces: - [ -0.0005750900000000, 0.0003077400000000, 0.0000331300000000 ] - [ -0.0033639000000000, -0.0000907700000000, 0.0002568700000000 ] - [ 0.0001152700000000, 0.0005939400000000, -0.0001789400000000 ] - [ 0.0009601400000000, 0.0009980400000000, -0.0006835300000000 ] - [ -0.0000126100000000, -0.0013565400000000, -0.0010596900000000 ] - [ 0.0006710600000000, -0.0000042200000000, 0.0000869400000000 ] - [ 0.0010012700000000, -0.0001473200000000, -0.0001963400000000 ] - [ -0.0015136200000000, -0.0008604800000000, 0.0001859000000000 ] - [ 0.0002203100000000, 0.0001991100000000, -0.0001479100000000 ] - [ 0.0013251100000000, -0.0009785900000000, -0.0000786300000000 ] - [ 0.0000703100000000, -0.0005802400000000, 0.0002228600000000 ] - [ 0.0018444500000000, -0.0010684100000000, 0.0001416300000000 ] - [ 0.0000884400000000, 0.0002956800000000, 0.0001335400000000 ] - [ -0.0028392600000000, -0.0013114100000000, -0.0002089900000000 ] - [ 0.0009180900000000, -0.0001379100000000, 0.0001002300000000 ] - [ 0.0005185100000000, -0.0001425600000000, -0.0002358900000000 ] - [ -0.0003420700000000, -0.0007321900000000, -0.0014552000000000 ] - [ 0.0004438900000000, 0.0006916800000000, -0.0002282600000000 ] - [ 0.0001036800000000, 0.0005308200000000, 0.0001392800000000 ] - [ -0.0017220400000000, -0.0002383500000000, 0.0003611100000000 ] - [ -0.0001977500000000, 0.0002998300000000, -0.0002660800000000 ] - [ 0.0009953800000000, 0.0072201700000000, 0.0011112600000000 ] - [ -0.0350903400000000, 0.0014923700000000, -0.0051044400000000 ] - [ -0.0019662300000000, 0.0033485600000000, 0.0037934400000000 ] - [ 0.0080182800000000, 0.0016873100000000, 0.0009435400000000 ] - [ 0.0019726000000000, 0.0010547100000000, 0.0009445400000000 ] - [ 0.0030484500000000, -0.0002460100000000, 0.0037181800000000 ] - [ -0.0011004000000000, -0.0020927000000000, 0.0009544600000000 ] - [ 0.0014450200000000, -0.0020522600000000, 0.0000431900000000 ] - [ -0.0000553700000000, -0.0003313200000000, 0.0004588800000000 ] - [ -0.0004337000000000, -0.0001599500000000, 0.0000642400000000 ] - [ 0.0011146000000000, -0.0022226900000000, 0.0003651100000000 ] - [ -0.0003344300000000, -0.0027613700000000, 0.0020076700000000 ] - [ 0.0039808200000000, 0.0002579400000000, 0.0048702300000000 ] - [ 0.0014045400000000, 0.0009619400000000, 0.0007464700000000 ] - [ 0.0069558400000000, 0.0021852500000000, 0.0005603000000000 ] - [ -0.0020895200000000, 0.0029774800000000, 0.0030666700000000 ] - [ -0.0128909400000000, 0.0028754500000000, -0.0022945100000000 ] - [ 0.0005780100000000, 0.0056103500000000, 0.0007222500000000 ] - [ 0.0004285200000000, 0.0003401500000000, -0.0006627300000000 ] - [ 0.0004158800000000, 0.0009147000000000, -0.0008215700000000 ] - [ -0.0002305800000000, -0.0003911500000000, -0.0003388600000000 ] - [ 0.0722032300000000, -0.0060197100000000, 0.0047808400000000 ] - [ -0.0000109700000000, -0.0006605400000000, -0.0000549900000000 ] - [ 0.0006361500000000, -0.0009962300000000, -0.0000598000000000 ] - [ 0.0024413200000000, -0.0055623600000000, -0.0049651200000000 ] - [ -0.0037521000000000, -0.0090362800000000, -0.0004327800000000 ] - [ -0.0002350800000000, -0.0014338900000000, -0.0000370400000000 ] - [ -0.0001743900000000, -0.0006350400000000, 0.0005297900000000 ] - [ 0.0007864300000000, -0.0003100200000000, -0.0004030500000000 ] - [ -0.0059151900000000, 0.0008621500000000, 0.0098912700000000 ] - [ 0.0016498600000000, 0.0007083700000000, -0.0002277100000000 ] - [ -0.0006808900000000, -0.0005734900000000, -0.0001380000000000 ] - [ -0.0005548500000000, -0.0002398900000000, -0.0005068700000000 ] - [ -0.0109217700000000, -0.0023731600000000, 0.0011187000000000 ] - [ 0.0002294800000000, -0.0005753500000000, -0.0007382500000000 ] - [ -0.0001977900000000, 0.0000364100000000, 0.0000417800000000 ] - [ -0.0004927500000000, -0.0004843800000000, -0.0003759400000000 ] - [ -0.0005303500000000, -0.0007479500000000, -0.0003983900000000 ] - [ -0.0007647200000000, -0.0001850500000000, 0.0004880500000000 ] - [ -0.0005305900000000, 0.0003931000000000, -0.0002849100000000 ] - [ 0.0005185500000000, 0.0010687900000000, -0.0001999500000000 ] - [ -0.0003963500000000, -0.0006306400000000, -0.0005268400000000 ] - [ -0.0001346000000000, 0.0001457400000000, -0.0000487600000000 ] - [ -0.0017583100000000, 0.0005499900000000, -0.0001429900000000 ] - [ -0.0003915500000000, 0.0008552100000000, 0.0003419500000000 ] - [ -0.0010550900000000, 0.0001042600000000, -0.0000518000000000 ] - [ -0.0002145100000000, 0.0003652600000000, -0.0003777000000000 ] - [ -0.0015517700000000, 0.0004114600000000, -0.0002890900000000 ] - [ -0.0012924900000000, -0.0004095300000000, 0.0001425900000000 ] - [ 0.0001619200000000, -0.0006618800000000, -0.0003672700000000 ] - [ 0.0005830200000000, -0.0008078200000000, 0.0001865000000000 ] - [ -0.0041072700000000, 0.0030589200000000, -0.0093204800000000 ] - [ -0.0009109600000000, 0.0000029800000000, -0.0000703900000000 ] - [ -0.0009155200000000, 0.0083459400000000, 0.0026754400000000 ] - [ 0.0010988700000000, -0.0003439900000000, 0.0001331300000000 ] - [ -0.0005483600000000, -0.0002632100000000, -0.0003710700000000 ] - [ 0.0001393000000000, 0.0007925000000000, -0.0000544300000000 ] - [ 0.0000888100000000, 0.0011359800000000, -0.0003805800000000 ] - [ 0.0000222800000000, 0.0007977500000000, -0.0001433200000000 ] - [ 0.0002493100000000, 0.0001425100000000, -0.0003386900000000 ] - [ -0.0004250100000000, 0.0001969800000000, 0.0003303600000000 ] - [ -0.0013199600000000, -0.0007230700000000, 0.0003743200000000 ] - [ -0.0002518000000000, 0.0004940000000000, -0.0000516000000000 ] - [ -0.0000835200000000, 0.0007463900000000, -0.0002916200000000 ] - [ 0.0000939500000000, 0.0003027300000000, 0.0000498600000000 ] - [ -0.0005889500000000, 0.0002963200000000, -0.0005048000000000 ] - [ -0.0013440000000000, -0.0003746600000000, 0.0003110300000000 ] - [ -0.0002917800000000, 0.0001721900000000, -0.0003470300000000 ] - [ -0.0000297700000000, 0.0005283900000000, 0.0001555900000000 ] - [ 0.0002965200000000, 0.0002104400000000, 0.0004972600000000 ] - [ -0.0002176200000000, 0.0010557600000000, -0.0010078900000000 ] - [ -0.0001734200000000, 0.0010959300000000, -0.0004698100000000 ] - [ 0.0005230100000000, 0.0008785000000000, -0.0004981000000000 ] - [ -0.0004854600000000, -0.0004696300000000, -0.0006171900000000 ] - [ 0.0012362200000000, -0.0005517400000000, 0.0002541900000000 ] - [ -0.0076728300000000, 0.0055182700000000, 0.0078797600000000 ] - [ -0.0006437000000000, -0.0000581100000000, -0.0000877600000000 ] - [ -0.0079676600000000, -0.0002345000000000, -0.0066203900000000 ] - [ 0.0011185800000000, -0.0006031600000000, 0.0002548700000000 ] - [ 0.0001877300000000, -0.0008754500000000, -0.0003846200000000 ] - [ -0.0010152300000000, -0.0000903200000000, -0.0001668300000000 ] - [ -0.0014471800000000, 0.0003256200000000, -0.0002533500000000 ] - [ -0.0002005400000000, 0.0003772400000000, -0.0004102300000000 ] - [ -0.0009147100000000, 0.0002557600000000, -0.0001668500000000 ] - [ -0.0007481900000000, 0.0008080400000000, 0.0004344600000000 ] - [ -0.0020016500000000, 0.0006397700000000, -0.0002727200000000 ] - [ -0.0001639400000000, 0.0002259600000000, 0.0000064400000000 ] - [ -0.0006390000000000, -0.0009553900000000, -0.0002603700000000 ] - [ 0.0005398200000000, 0.0009623000000000, -0.0005278700000000 ] - [ -0.0003155800000000, 0.0002129100000000, -0.0001945900000000 ] - [ -0.0005446500000000, -0.0001860600000000, 0.0000856500000000 ] - [ -0.0004378500000000, -0.0003802100000000, 0.0001523900000000 ] - [ 0.0000851500000000, -0.0000971500000000, 0.0000220900000000 ] - [ 0.0005305300000000, -0.0008157200000000, -0.0007712700000000 ] - [ -0.0070851800000000, -0.0000027900000000, 0.0002942800000000 ] - [ -0.0003856700000000, -0.0004623700000000, -0.0002100000000000 ] - [ -0.0005267000000000, -0.0008180000000000, -0.0002041700000000 ] - [ 0.0016167300000000, 0.0008024400000000, -0.0004427400000000 ] - [ 0.0013641100000000, -0.0002849700000000, 0.0059249100000000 ] - [ -0.0026634400000000, -0.0030000000000000, -0.0006725900000000 ] - [ 0.0005829500000000, -0.0002850900000000, -0.0000254400000000 ] - [ -0.0002285000000000, -0.0004256800000000, 0.0000112600000000 ] - [ -0.0001100700000000, -0.0015319800000000, -0.0001846200000000 ] - [ 0.0011259000000000, -0.0067577700000000, 0.0005035800000000 ] - [ 0.0019024500000000, -0.0041807200000000, -0.0079223500000000 ] - [ 0.0003744100000000, -0.0009772200000000, -0.0001865100000000 ] - [ 0.0001160700000000, -0.0006870300000000, -0.0000897600000000 ] - [ 0.0121541500000000, 0.0057071200000000, -0.0037815900000000 ] - [ -0.0004265500000000, -0.0002860200000000, -0.0004965400000000 ] - [ 0.0005543100000000, 0.0003285700000000, -0.0001038500000000 ] - [ 0.0002966600000000, 0.0002095100000000, -0.0004114600000000 ]- atom: 43 displacement: [ -0.0050000000104457, 0.0086602540318135, 0.0000000000000000 ] forces: - [ -0.0006039100000000, -0.0004660000000000, 0.0004818000000000 ] - [ -0.0016430100000000, 0.0015543300000000, 0.0014284500000000 ] - [ -0.0001203400000000, 0.0000541200000000, -0.0001632400000000 ] - [ 0.0001195400000000, 0.0007109600000000, -0.0000655800000000 ] - [ 0.0003053300000000, -0.0006120500000000, -0.0006320700000000 ] - [ 0.0003683900000000, 0.0000580300000000, 0.0001026400000000 ] - [ 0.0004712200000000, -0.0000500700000000, -0.0002166200000000 ] - [ -0.0002949700000000, -0.0013621800000000, 0.0001060600000000 ] - [ 0.0001128000000000, -0.0001290000000000, -0.0001547300000000 ] - [ 0.0007975100000000, -0.0005795800000000, -0.0001446000000000 ] - [ 0.0003824000000000, -0.0006669700000000, 0.0002206100000000 ] - [ 0.0013338700000000, -0.0001364400000000, 0.0000400300000000 ] - [ -0.0001045600000000, -0.0003473300000000, 0.0001212600000000 ] - [ -0.0010509900000000, -0.0001861100000000, -0.0005212900000000 ] - [ 0.0003677300000000, 0.0000652300000000, 0.0001754100000000 ] - [ 0.0001679200000000, -0.0002689300000000, -0.0001597400000000 ] - [ 0.0000364500000000, 0.0002300000000000, -0.0008521700000000 ] - [ -0.0000957700000000, 0.0002186200000000, 0.0003023100000000 ] - [ -0.0001258000000000, -0.0000274100000000, 0.0001205800000000 ] - [ -0.0005581600000000, 0.0003037200000000, 0.0009414100000000 ] - [ -0.0000425600000000, -0.0001755800000000, -0.0001302900000000 ] - [ -0.0025309700000000, 0.0015787900000000, 0.0001563100000000 ] - [ -0.0282600700000000, 0.0147743700000000, -0.0082720800000000 ] - [ -0.0016782600000000, 0.0023502500000000, 0.0011910300000000 ] - [ 0.0040074100000000, 0.0019362600000000, 0.0005064100000000 ] - [ 0.0005680900000000, 0.0001766500000000, 0.0006690000000000 ] - [ 0.0012837300000000, 0.0006337200000000, 0.0025763300000000 ] - [ 0.0001679400000000, -0.0016391800000000, 0.0009364400000000 ] - [ 0.0013981600000000, -0.0016259300000000, 0.0001944400000000 ] - [ 0.0010034900000000, -0.0011274800000000, 0.0003726900000000 ] - [ 0.0003433100000000, -0.0011378100000000, -0.0006433300000000 ] - [ 0.0009807900000000, -0.0026008200000000, 0.0005166100000000 ] - [ 0.0025584000000000, -0.0021733800000000, 0.0028624000000000 ] - [ 0.0014610600000000, 0.0017939800000000, 0.0020340300000000 ] - [ -0.0000890900000000, -0.0007041800000000, 0.0003091800000000 ] - [ 0.0017179700000000, 0.0009584900000000, 0.0003354000000000 ] - [ -0.0009962400000000, -0.0000331500000000, -0.0012280700000000 ] - [ -0.0010338400000000, 0.0195402800000000, -0.0044670600000000 ] - [ -0.0015532000000000, 0.0000678300000000, 0.0006301600000000 ] - [ 0.0001509100000000, 0.0003120400000000, -0.0006766500000000 ] - [ -0.0018839100000000, 0.0020450900000000, -0.0024223100000000 ] - [ 0.0002696800000000, 0.0001058400000000, 0.0000754300000000 ] - [ 0.0417175000000000, -0.0425632000000000, 0.0163171100000000 ] - [ 0.0000492200000000, 0.0000626700000000, 0.0000431700000000 ] - [ 0.0004013500000000, -0.0004579100000000, -0.0000315300000000 ] - [ 0.0032880100000000, 0.0034141900000000, 0.0016894200000000 ] - [ 0.0011409500000000, -0.0044495300000000, 0.0005931400000000 ] - [ 0.0004293800000000, 0.0001731800000000, -0.0000358300000000 ] - [ 0.0002525200000000, -0.0000286800000000, 0.0001590500000000 ] - [ 0.0007256100000000, -0.0002024900000000, -0.0008175700000000 ] - [ -0.0030795000000000, -0.0016054400000000, 0.0061519300000000 ] - [ 0.0005245600000000, -0.0001795900000000, 0.0002390000000000 ] - [ 0.0002911000000000, -0.0006142100000000, -0.0000881300000000 ] - [ 0.0000478400000000, 0.0001052900000000, -0.0004554900000000 ] - [ -0.0066867700000000, -0.0015091900000000, 0.0008295400000000 ] - [ 0.0003681700000000, -0.0009646100000000, -0.0005639800000000 ] - [ -0.0001457700000000, 0.0002503000000000, 0.0000166000000000 ] - [ -0.0002284300000000, -0.0002978700000000, -0.0004258200000000 ] - [ 0.0000445800000000, -0.0006023500000000, 0.0000215000000000 ] - [ -0.0002379500000000, -0.0002355500000000, 0.0004022700000000 ] - [ -0.0002900200000000, 0.0001714600000000, -0.0004166600000000 ] - [ 0.0001888500000000, 0.0005497500000000, -0.0001587100000000 ] - [ -0.0000314200000000, -0.0004698000000000, -0.0004759900000000 ] - [ -0.0001703000000000, 0.0002618000000000, 0.0000316900000000 ] - [ -0.0007008200000000, -0.0000920100000000, -0.0000408900000000 ] - [ -0.0001910800000000, 0.0006726000000000, 0.0002512000000000 ] - [ -0.0006594400000000, 0.0000808600000000, -0.0000408300000000 ] - [ -0.0002729700000000, 0.0003268200000000, -0.0004417100000000 ] - [ -0.0006638800000000, 0.0001241700000000, -0.0000934700000000 ] - [ -0.0005586100000000, -0.0004766000000000, 0.0003427400000000 ] - [ 0.0003508000000000, 0.0002733500000000, -0.0003133600000000 ] - [ 0.0002101300000000, -0.0000347200000000, 0.0000932900000000 ] - [ -0.0023527900000000, 0.0016183400000000, -0.0052793400000000 ] - [ -0.0006382400000000, 0.0002374900000000, -0.0001149700000000 ] - [ -0.0012305600000000, 0.0035861000000000, 0.0012805200000000 ] - [ 0.0001048800000000, 0.0002623700000000, 0.0002046200000000 ] - [ -0.0002573400000000, -0.0002076500000000, -0.0002551600000000 ] - [ -0.0000107800000000, 0.0007472900000000, -0.0000601600000000 ] - [ 0.0001391900000000, 0.0006305800000000, -0.0002865100000000 ] - [ -0.0002038600000000, 0.0006964100000000, -0.0000575800000000 ] - [ 0.0000568400000000, 0.0003190400000000, -0.0002904000000000 ] - [ -0.0004362800000000, 0.0000780600000000, 0.0002974800000000 ] - [ -0.0006931400000000, -0.0004862900000000, 0.0002763100000000 ] - [ -0.0005071700000000, 0.0007542700000000, -0.0000238100000000 ] - [ -0.0004142200000000, 0.0006050800000000, -0.0003263100000000 ] - [ -0.0004037600000000, 0.0001134900000000, 0.0000592800000000 ] - [ -0.0009266700000000, 0.0004876900000000, -0.0004967600000000 ] - [ -0.0004388500000000, 0.0001711300000000, 0.0001218300000000 ] - [ -0.0002625800000000, 0.0002239200000000, -0.0004063300000000 ] - [ -0.0002803900000000, 0.0006241500000000, 0.0001366400000000 ] - [ 0.0000403600000000, 0.0008512200000000, 0.0011649700000000 ] - [ -0.0009765300000000, 0.0009055400000000, -0.0011457700000000 ] - [ -0.0002669400000000, -0.0000266100000000, -0.0003355200000000 ] - [ 0.0002871000000000, 0.0012104200000000, -0.0006409300000000 ] - [ -0.0001021300000000, -0.0000488000000000, -0.0001397000000000 ] - [ 0.0006066600000000, -0.0002183500000000, 0.0007860900000000 ] - [ -0.0072780300000000, -0.0019273800000000, 0.0057311700000000 ] - [ -0.0002402100000000, 0.0003803900000000, -0.0001953400000000 ] - [ -0.0030224600000000, -0.0020709000000000, -0.0014215200000000 ] - [ 0.0015657300000000, 0.0004240200000000, 0.0002639600000000 ] - [ 0.0004223300000000, -0.0003494600000000, 0.0001077800000000 ] - [ -0.0004943500000000, -0.0001336300000000, -0.0001388000000000 ] - [ -0.0007389200000000, 0.0000881000000000, -0.0001351800000000 ] - [ -0.0004003300000000, 0.0002012600000000, -0.0006121200000000 ] - [ -0.0004160100000000, 0.0003636300000000, -0.0001553300000000 ] - [ -0.0004916700000000, 0.0002650700000000, 0.0002177300000000 ] - [ -0.0007123200000000, -0.0001379300000000, -0.0001274900000000 ] - [ -0.0001848300000000, 0.0004713900000000, 0.0001788500000000 ] - [ -0.0002486900000000, -0.0004319200000000, -0.0001696800000000 ] - [ -0.0001180500000000, -0.0001504900000000, -0.0004574700000000 ] - [ -0.0001377300000000, -0.0000183400000000, -0.0001152400000000 ] - [ 0.0000522600000000, -0.0000661200000000, -0.0003079100000000 ] - [ -0.0001801200000000, -0.0001087500000000, 0.0001149200000000 ] - [ 0.0002870500000000, 0.0002881900000000, 0.0000144000000000 ] - [ 0.0007689200000000, -0.0009504900000000, -0.0001906300000000 ] - [ -0.0002594700000000, -0.0005122700000000, -0.0005279700000000 ] - [ 0.0004044400000000, -0.0000409200000000, -0.0001027500000000 ] - [ -0.0000222700000000, -0.0003101500000000, -0.0003878900000000 ] - [ 0.0006024200000000, 0.0000224800000000, -0.0003351600000000 ] - [ 0.0004895900000000, -0.0009475800000000, 0.0001278900000000 ] - [ 0.0000014600000000, -0.0004848400000000, 0.0002394700000000 ] - [ 0.0004215800000000, -0.0001119300000000, 0.0002682800000000 ] - [ 0.0000243800000000, 0.0001903800000000, -0.0003834500000000 ] - [ 0.0004682200000000, 0.0001746500000000, -0.0000319600000000 ] - [ 0.0009907700000000, -0.0008907100000000, -0.0001438000000000 ] - [ 0.0025218500000000, -0.0033223600000000, -0.0024947000000000 ] - [ -0.0000922600000000, -0.0001066100000000, -0.0000874400000000 ] - [ 0.0002007500000000, -0.0001240000000000, -0.0000052300000000 ] - [ 0.0013023100000000, 0.0114392100000000, -0.0120102800000000 ] - [ 0.0001125700000000, -0.0000673900000000, 0.0000263000000000 ] - [ -0.0002720700000000, 0.0005542300000000, -0.0003960500000000 ] - [ 0.0000183100000000, 0.0001645800000000, -0.0002640900000000 ]- atom: 43 displacement: [ 0.0050000000104457, -0.0086602540318135, 0.0000000000000000 ] forces: - [ 0.0005250600000000, 0.0003825200000000, -0.0002223600000000 ] - [ 0.0015821000000000, -0.0016425600000000, -0.0017603600000000 ] - [ 0.0000633800000000, 0.0000484500000000, -0.0001654700000000 ] - [ -0.0001198400000000, -0.0007124500000000, 0.0006644100000000 ] - [ -0.0001942900000000, 0.0005888500000000, 0.0008912000000000 ] - [ -0.0004027600000000, 0.0000483100000000, 0.0001554300000000 ] - [ -0.0003528300000000, 0.0000482600000000, -0.0001125800000000 ] - [ 0.0002282400000000, 0.0012838600000000, 0.0001290700000000 ] - [ -0.0001746800000000, 0.0000180800000000, -0.0001753000000000 ] - [ -0.0008627800000000, 0.0006907200000000, -0.0001853100000000 ] - [ -0.0003796800000000, 0.0006654600000000, 0.0003662300000000 ] - [ -0.0012277000000000, 0.0001190500000000, 0.0001925700000000 ] - [ 0.0000680100000000, 0.0004468200000000, 0.0001140500000000 ] - [ 0.0011390200000000, 0.0004039600000000, 0.0002449600000000 ] - [ -0.0004429000000000, -0.0001429700000000, 0.0000623100000000 ] - [ -0.0002321100000000, 0.0001614800000000, -0.0001890700000000 ] - [ -0.0000960800000000, -0.0001165100000000, 0.0005052100000000 ] - [ 0.0000928500000000, -0.0002218500000000, 0.0003056600000000 ] - [ 0.0002286700000000, 0.0000026000000000, 0.0001168600000000 ] - [ 0.0005316600000000, -0.0002036000000000, -0.0007044900000000 ] - [ 0.0001684200000000, 0.0001729600000000, -0.0002186800000000 ] - [ 0.0012473400000000, -0.0010935900000000, 0.0003609800000000 ] - [ 0.0296712300000000, -0.0161863000000000, 0.0092091400000000 ] - [ 0.0024398900000000, -0.0013721000000000, -0.0001162000000000 ] - [ -0.0029656200000000, -0.0010884300000000, 0.0000133600000000 ] - [ -0.0001030900000000, -0.0013255400000000, 0.0004074900000000 ] - [ -0.0025069400000000, -0.0004688000000000, -0.0015095800000000 ] - [ -0.0014381300000000, 0.0021299800000000, -0.0003748800000000 ] - [ -0.0011850900000000, 0.0002831900000000, 0.0003719000000000 ] - [ -0.0002366100000000, 0.0020898000000000, 0.0006576500000000 ] - [ 0.0007116900000000, 0.0019953100000000, 0.0011989100000000 ] - [ -0.0005165700000000, 0.0014510700000000, 0.0005148500000000 ] - [ -0.0037488100000000, 0.0023433300000000, -0.0018146200000000 ] - [ -0.0027437900000000, -0.0012844900000000, -0.0014750300000000 ] - [ 0.0002777400000000, -0.0006476500000000, 0.0002632700000000 ] - [ -0.0010021000000000, -0.0000036100000000, 0.0007329700000000 ] - [ 0.0020614500000000, 0.0008603300000000, 0.0017827400000000 ] - [ 0.0013725200000000, -0.0206339100000000, 0.0055950900000000 ] - [ 0.0003365000000000, 0.0000642900000000, 0.0004392900000000 ] - [ -0.0001166400000000, -0.0003671100000000, 0.0003715000000000 ] - [ 0.0016902100000000, -0.0023045500000000, 0.0024130000000000 ] - [ -0.0000480500000000, 0.0000777300000000, -0.0000905700000000 ] - [ -0.0432442600000000, 0.0430213400000000, -0.0171104900000000 ] - [ -0.0002101000000000, -0.0001472200000000, 0.0000689500000000 ] - [ -0.0003984800000000, -0.0001111200000000, -0.0000548800000000 ] - [ -0.0035968100000000, -0.0033208800000000, -0.0017031400000000 ] - [ -0.0012481900000000, 0.0046197000000000, -0.0007331000000000 ] - [ 0.0002458800000000, 0.0001302300000000, -0.0000295600000000 ] - [ -0.0002882900000000, 0.0003942700000000, 0.0001430200000000 ] - [ -0.0002925300000000, 0.0001675200000000, -0.0000944100000000 ] - [ 0.0027963900000000, 0.0014066900000000, -0.0059107800000000 ] - [ -0.0003743000000000, 0.0000837500000000, -0.0001245300000000 ] - [ -0.0001026800000000, 0.0006321500000000, -0.0000448100000000 ] - [ -0.0004074700000000, 0.0003443700000000, -0.0003780900000000 ] - [ 0.0066495300000000, 0.0013431200000000, -0.0009728800000000 ] - [ -0.0005807300000000, 0.0004303400000000, -0.0002705100000000 ] - [ -0.0000097000000000, 0.0000389800000000, -0.0000025800000000 ] - [ -0.0000206500000000, -0.0000591900000000, -0.0004851600000000 ] - [ -0.0000451600000000, 0.0006052900000000, 0.0006410500000000 ] - [ 0.0005778600000000, 0.0000888800000000, -0.0001025400000000 ] - [ 0.0001027000000000, 0.0002225800000000, -0.0004935100000000 ] - [ 0.0002985300000000, -0.0002672000000000, 0.0000756700000000 ] - [ 0.0006010300000000, 0.0005636600000000, -0.0003578100000000 ] - [ 0.0001076700000000, -0.0002692400000000, -0.0003344700000000 ] - [ 0.0006263900000000, -0.0006461100000000, -0.0000220700000000 ] - [ 0.0005179600000000, -0.0006781400000000, -0.0002348900000000 ] - [ 0.0001690200000000, 0.0002031600000000, -0.0000456200000000 ] - [ 0.0003025700000000, -0.0002682700000000, 0.0001397400000000 ] - [ 0.0006719500000000, 0.0000544400000000, 0.0002057700000000 ] - [ 0.0006090900000000, 0.0001959900000000, -0.0003606200000000 ] - [ -0.0002583600000000, -0.0002466800000000, -0.0000134300000000 ] - [ -0.0004054500000000, -0.0002155800000000, 0.0000885200000000 ] - [ 0.0026282200000000, -0.0015124700000000, 0.0053970300000000 ] - [ 0.0000505300000000, 0.0002024100000000, -0.0000622900000000 ] - [ 0.0011067500000000, -0.0036494800000000, -0.0010767700000000 ] - [ -0.0001108000000000, -0.0008277900000000, -0.0004591900000000 ] - [ 0.0000150300000000, 0.0003853200000000, 0.0003470500000000 ] - [ -0.0000932300000000, -0.0006066200000000, -0.0000412600000000 ] - [ 0.0005358600000000, -0.0003436300000000, 0.0001091000000000 ] - [ 0.0001877800000000, -0.0002760300000000, 0.0004230900000000 ] - [ 0.0003505300000000, -0.0003899200000000, -0.0005958900000000 ] - [ 0.0000775600000000, -0.0003083700000000, 0.0000676300000000 ] - [ 0.0007984600000000, 0.0003934400000000, -0.0000705900000000 ] - [ 0.0006839400000000, -0.0007326100000000, -0.0000753300000000 ] - [ 0.0000685400000000, -0.0001676100000000, -0.0005706900000000 ] - [ 0.0003313100000000, -0.0002764000000000, -0.0001588100000000 ] - [ 0.0007136000000000, -0.0009984900000000, -0.0004014700000000 ] - [ 0.0003159900000000, 0.0001217900000000, 0.0000574300000000 ] - [ -0.0000066000000000, -0.0005397300000000, -0.0004775300000000 ] - [ 0.0002772400000000, -0.0006217100000000, 0.0002690700000000 ] - [ 0.0003327500000000, -0.0010367600000000, -0.0007897100000000 ] - [ 0.0008279700000000, -0.0005146200000000, 0.0002543900000000 ] - [ 0.0007561500000000, 0.0003013600000000, 0.0000826600000000 ] - [ 0.0002607400000000, -0.0011244500000000, -0.0002574900000000 ] - [ 0.0000803200000000, -0.0000452800000000, -0.0001851600000000 ] - [ -0.0006936500000000, -0.0005158100000000, -0.0009568700000000 ] - [ 0.0075166100000000, 0.0018422100000000, -0.0054739700000000 ] - [ -0.0002477200000000, -0.0000918500000000, -0.0000595000000000 ] - [ 0.0029743900000000, 0.0021145800000000, 0.0011199100000000 ] - [ -0.0015287600000000, -0.0002858200000000, -0.0000572400000000 ] - [ -0.0004492900000000, 0.0000556500000000, -0.0000165600000000 ] - [ 0.0005644500000000, 0.0001229100000000, 0.0000429800000000 ] - [ 0.0005034100000000, -0.0002939900000000, 0.0001567100000000 ] - [ 0.0006615900000000, -0.0000771300000000, 0.0004710900000000 ] - [ -0.0001733300000000, 0.0000712000000000, -0.0000989900000000 ] - [ 0.0003678000000000, -0.0003054500000000, -0.0002173000000000 ] - [ 0.0007173500000000, -0.0004388800000000, 0.0000920800000000 ] - [ -0.0000568800000000, -0.0002999800000000, -0.0003178100000000 ] - [ 0.0001468000000000, 0.0005779400000000, -0.0000882700000000 ] - [ 0.0007897600000000, 0.0004375000000000, 0.0002012200000000 ] - [ 0.0001242000000000, 0.0004398400000000, 0.0003915600000000 ] - [ 0.0003695000000000, 0.0000209700000000, -0.0003842400000000 ] - [ -0.0001778800000000, -0.0001202000000000, 0.0001609300000000 ] - [ -0.0001921100000000, -0.0003766300000000, -0.0000134900000000 ] - [ -0.0005864600000000, 0.0009728100000000, -0.0000631300000000 ] - [ -0.0000044600000000, 0.0009381700000000, -0.0002613300000000 ] - [ -0.0004706200000000, -0.0001204800000000, -0.0001538300000000 ] - [ -0.0001960600000000, -0.0001666700000000, -0.0003990700000000 ] - [ -0.0006715400000000, 0.0002772700000000, 0.0003583400000000 ] - [ -0.0007463400000000, 0.0006073300000000, -0.0008551000000000 ] - [ 0.0000184600000000, 0.0005041600000000, 0.0002530200000000 ] - [ -0.0000455400000000, -0.0000825500000000, 0.0000083100000000 ] - [ -0.0001906900000000, 0.0001978100000000, -0.0003087500000000 ] - [ 0.0000288300000000, 0.0001148900000000, -0.0000019200000000 ] - [ -0.0004700700000000, 0.0009881900000000, -0.0006466500000000 ] - [ -0.0025927100000000, 0.0032658700000000, 0.0023925600000000 ] - [ 0.0000079600000000, -0.0006229100000000, -0.0001655200000000 ] - [ 0.0000952500000000, 0.0000326000000000, 0.0000276600000000 ] - [ -0.0018318700000000, -0.0113393700000000, 0.0122273000000000 ] - [ -0.0001347200000000, 0.0001330700000000, -0.0001202800000000 ] - [ 0.0002966500000000, -0.0004312600000000, 0.0003972600000000 ] - [ -0.0000432700000000, -0.0004556200000000, 0.0001252000000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002066400000000, 0.0004979200000000, 0.0000025100000000 ] - [ -0.0001827800000000, 0.0001484100000000, -0.0000346800000000 ] - [ -0.0000213300000000, 0.0000454100000000, -0.0001612400000000 ] - [ 0.0006179600000000, 0.0002460900000000, 0.0001789400000000 ] - [ 0.0005013200000000, -0.0005033800000000, 0.0000744700000000 ] - [ -0.0001094600000000, 0.0000545200000000, 0.0001472800000000 ] - [ 0.0000589300000000, -0.0000158500000000, -0.0001365800000000 ] - [ -0.0000935200000000, 0.0004942300000000, 0.0005892800000000 ] - [ -0.0000596200000000, -0.0000395800000000, -0.0001022800000000 ] - [ -0.0001738100000000, 0.0001915400000000, -0.0000662400000000 ] - [ -0.0000416200000000, 0.0000821600000000, 0.0004007700000000 ] - [ 0.0002549400000000, -0.0002388900000000, 0.0005060400000000 ] - [ 0.0000228300000000, 0.0001326900000000, 0.0001882100000000 ] - [ -0.0003294800000000, 0.0011057800000000, 0.0019554400000000 ] - [ -0.0000369100000000, -0.0000777400000000, -0.0000369600000000 ] - [ -0.0000294100000000, 0.0000020400000000, -0.0002525000000000 ] - [ 0.0001090700000000, -0.0001849900000000, -0.0011105200000000 ] - [ 0.0001251500000000, 0.0001206300000000, -0.0000738700000000 ] - [ 0.0000828400000000, 0.0000110000000000, 0.0000325700000000 ] - [ -0.0000986700000000, 0.0001715700000000, -0.0012261000000000 ] - [ 0.0000688900000000, 0.0000784300000000, -0.0003534600000000 ] - [ -0.0004176700000000, 0.0001720600000000, 0.0010051100000000 ] - [ 0.0126736700000000, -0.0063203400000000, 0.0184979700000000 ] - [ 0.0003714500000000, -0.0008196100000000, -0.0037094600000000 ] - [ 0.0000890000000000, -0.0000133100000000, 0.0005766400000000 ] - [ 0.0001536900000000, -0.0007501200000000, 0.0001691500000000 ] - [ -0.0011584700000000, 0.0000221200000000, -0.0008156000000000 ] - [ -0.0009806900000000, 0.0006468800000000, -0.0003552700000000 ] - [ 0.0000307000000000, -0.0007443200000000, -0.0002028100000000 ] - [ 0.0003418900000000, 0.0004425200000000, 0.0005718000000000 ] - [ 0.0006390200000000, 0.0003747300000000, -0.0003551300000000 ] - [ 0.0002630300000000, -0.0000756500000000, 0.0004831100000000 ] - [ -0.0029304800000000, 0.0017415500000000, -0.0000154000000000 ] - [ -0.0028739000000000, -0.0003318100000000, -0.0004382700000000 ] - [ -0.0000297000000000, -0.0006383300000000, 0.0004877300000000 ] - [ 0.0013073000000000, 0.0007617600000000, 0.0011091800000000 ] - [ -0.0002968900000000, -0.0022359100000000, -0.0007566900000000 ] - [ -0.0049797200000000, -0.0062782200000000, 0.0155147200000000 ] - [ -0.0003034800000000, 0.0011604300000000, 0.0012260100000000 ] - [ -0.0000774900000000, -0.0003179800000000, 0.0004338600000000 ] - [ 0.0017383800000000, -0.0024212000000000, 0.0008981800000000 ] - [ -0.0000007300000000, 0.0000346700000000, -0.0002454200000000 ] - [ -0.0056682300000000, 0.0165657700000000, -0.0406477400000000 ] - [ -0.0001091600000000, -0.0001380000000000, 0.0000812200000000 ] - [ -0.0000470800000000, -0.0001629700000000, 0.0001995600000000 ] - [ 0.0021184100000000, 0.0037959300000000, -0.0012106000000000 ] - [ -0.0001111200000000, 0.0012047300000000, -0.0012404900000000 ] - [ 0.0003267700000000, 0.0000247500000000, -0.0001305300000000 ] - [ -0.0001445500000000, 0.0000606900000000, -0.0001387000000000 ] - [ -0.0002852000000000, -0.0005004800000000, 0.0011344400000000 ] - [ -0.0071579600000000, 0.0013974600000000, -0.0014384100000000 ] - [ 0.0002354500000000, 0.0011719800000000, 0.0006065600000000 ] - [ 0.0000194700000000, 0.0001507400000000, -0.0001333700000000 ] - [ -0.0001457600000000, 0.0002855200000000, -0.0002348900000000 ] - [ 0.0023082600000000, 0.0004736700000000, -0.0005889500000000 ] - [ -0.0001484500000000, -0.0002274200000000, 0.0001208300000000 ] - [ -0.0000261800000000, 0.0001765900000000, -0.0000426000000000 ] - [ -0.0001709700000000, -0.0002119500000000, -0.0002881500000000 ] - [ 0.0002235900000000, 0.0001609900000000, 0.0005575500000000 ] - [ 0.0001261400000000, -0.0000304900000000, -0.0001227500000000 ] - [ -0.0002495000000000, 0.0002460800000000, 0.0000262100000000 ] - [ 0.0002494200000000, 0.0000953700000000, 0.0002157100000000 ] - [ 0.0003428900000000, 0.0001277800000000, -0.0003110800000000 ] - [ -0.0000142200000000, 0.0000290700000000, -0.0000273700000000 ] - [ -0.0000417900000000, -0.0003628100000000, -0.0001295400000000 ] - [ 0.0001216200000000, -0.0000559500000000, -0.0000757800000000 ] - [ -0.0002061700000000, 0.0001524700000000, 0.0000237700000000 ] - [ 0.0000886300000000, -0.0000175700000000, 0.0000353000000000 ] - [ 0.0003247800000000, 0.0000546800000000, 0.0001710900000000 ] - [ 0.0003525900000000, 0.0001306900000000, -0.0005456200000000 ] - [ 0.0003555900000000, 0.0003741000000000, -0.0007242300000000 ] - [ -0.0000890700000000, -0.0003080700000000, 0.0000540900000000 ] - [ 0.0007863600000000, -0.0000606500000000, 0.0011289600000000 ] - [ -0.0002541900000000, 0.0002099000000000, -0.0000560600000000 ] - [ -0.0000203500000000, -0.0015667600000000, -0.0012487300000000 ] - [ -0.0002287000000000, 0.0000498200000000, -0.0002754200000000 ] - [ -0.0001239300000000, 0.0001770300000000, 0.0001397000000000 ] - [ -0.0000574800000000, -0.0000446400000000, -0.0000060200000000 ] - [ 0.0003760400000000, 0.0000532400000000, 0.0000053800000000 ] - [ 0.0000765900000000, 0.0000891000000000, 0.0002581900000000 ] - [ 0.0002395500000000, -0.0001119600000000, -0.0006619900000000 ] - [ -0.0001760000000000, -0.0000790200000000, 0.0002118700000000 ] - [ 0.0001199300000000, 0.0000668300000000, -0.0000127400000000 ] - [ 0.0001661600000000, -0.0000811100000000, -0.0000173600000000 ] - [ -0.0001953100000000, 0.0002005300000000, -0.0004982500000000 ] - [ -0.0000214100000000, -0.0000375700000000, 0.0000482400000000 ] - [ 0.0002091600000000, -0.0004782200000000, -0.0005180000000000 ] - [ -0.0001436400000000, 0.0000381300000000, 0.0001124000000000 ] - [ -0.0001327500000000, -0.0002389900000000, -0.0005727600000000 ] - [ 0.0000702300000000, -0.0002212000000000, 0.0002785300000000 ] - [ 0.0001820600000000, -0.0000666500000000, 0.0001795000000000 ] - [ 0.0001372800000000, 0.0000949800000000, -0.0010129500000000 ] - [ 0.0005516500000000, 0.0001439600000000, -0.0002484200000000 ] - [ 0.0002746400000000, -0.0005120000000000, -0.0004647100000000 ] - [ -0.0000454200000000, -0.0001768700000000, -0.0004267300000000 ] - [ -0.0001161900000000, 0.0000571800000000, 0.0002411100000000 ] - [ -0.0056613000000000, 0.0023013100000000, 0.0018715500000000 ] - [ -0.0002896600000000, 0.0000389100000000, -0.0001500000000000 ] - [ 0.0025375900000000, 0.0014866200000000, -0.0017318500000000 ] - [ -0.0001829600000000, 0.0000066200000000, -0.0001399300000000 ] - [ 0.0001219800000000, 0.0000919400000000, -0.0000291000000000 ] - [ 0.0001212800000000, 0.0000213300000000, 0.0000163900000000 ] - [ -0.0000325700000000, -0.0001323000000000, 0.0001121800000000 ] - [ 0.0004400000000000, -0.0000083700000000, 0.0003818200000000 ] - [ -0.0003145900000000, 0.0001765200000000, -0.0000947100000000 ] - [ -0.0001867900000000, 0.0001766700000000, 0.0001586000000000 ] - [ -0.0001063500000000, -0.0002280900000000, -0.0000460000000000 ] - [ -0.0001276700000000, 0.0000481700000000, 0.0000505800000000 ] - [ 0.0001243600000000, 0.0003571300000000, -0.0001207000000000 ] - [ 0.0012026600000000, 0.0000466600000000, 0.0002030200000000 ] - [ 0.0000321200000000, 0.0002911200000000, 0.0007044400000000 ] - [ 0.0001015200000000, -0.0000726200000000, -0.0002271400000000 ] - [ -0.0001870700000000, -0.0001400700000000, 0.0002637900000000 ] - [ 0.0000095900000000, -0.0000927500000000, 0.0000353900000000 ] - [ 0.0005793900000000, 0.0003584800000000, 0.0000845200000000 ] - [ -0.0021677300000000, 0.0002611800000000, -0.0002496200000000 ] - [ 0.0003232200000000, 0.0000843200000000, -0.0001122500000000 ] - [ -0.0001855000000000, -0.0003479900000000, -0.0003736500000000 ] - [ -0.0004571700000000, -0.0001474600000000, 0.0016150300000000 ] - [ -0.0006140600000000, -0.0004322400000000, 0.0007954500000000 ] - [ -0.0009059000000000, -0.0009320000000000, -0.0005201200000000 ] - [ 0.0002729900000000, -0.0000596100000000, 0.0008280200000000 ] - [ -0.0001424900000000, 0.0000726800000000, -0.0002373400000000 ] - [ 0.0001712200000000, 0.0000120300000000, -0.0000399700000000 ] - [ 0.0001525600000000, -0.0017106100000000, -0.0004092200000000 ] - [ 0.0030741500000000, 0.0020736500000000, 0.0048113500000000 ] - [ -0.0001354600000000, -0.0000849000000000, -0.0000315900000000 ] - [ 0.0001422400000000, -0.0000259500000000, 0.0000726100000000 ] - [ 0.0034063200000000, -0.0119975800000000, 0.0057117100000000 ] - [ -0.0000079100000000, 0.0000405500000000, -0.0000541900000000 ] - [ 0.0003078000000000, -0.0002475100000000, 0.0003071200000000 ] - [ -0.0000991900000000, -0.0001861700000000, 0.0001640900000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002842000000000, -0.0005837100000000, 0.0002532800000000 ] - [ 0.0001196500000000, -0.0002334700000000, -0.0005513200000000 ] - [ -0.0000353100000000, 0.0000595700000000, -0.0001671400000000 ] - [ -0.0006212200000000, -0.0002463500000000, 0.0004161500000000 ] - [ -0.0003962100000000, 0.0004809600000000, 0.0001799800000000 ] - [ 0.0000767700000000, 0.0000510500000000, 0.0001112000000000 ] - [ 0.0000629900000000, 0.0000140800000000, -0.0001925700000000 ] - [ 0.0000193200000000, -0.0005769400000000, -0.0003536200000000 ] - [ -0.0000014000000000, -0.0000696600000000, -0.0002270000000000 ] - [ 0.0001149100000000, -0.0000856800000000, -0.0002629800000000 ] - [ 0.0000414900000000, -0.0000827100000000, 0.0001868800000000 ] - [ -0.0001488200000000, 0.0002170900000000, -0.0002721300000000 ] - [ -0.0000574800000000, -0.0000291200000000, 0.0000480600000000 ] - [ 0.0004502600000000, -0.0010857300000000, -0.0022962500000000 ] - [ -0.0000336300000000, -0.0000010000000000, 0.0002766900000000 ] - [ -0.0000313700000000, -0.0001094400000000, -0.0000951900000000 ] - [ -0.0001660100000000, 0.0002916900000000, 0.0007667700000000 ] - [ -0.0001244100000000, -0.0001208300000000, 0.0006818800000000 ] - [ 0.0000210200000000, -0.0000332600000000, 0.0002068500000000 ] - [ 0.0000630100000000, -0.0000674600000000, 0.0014709100000000 ] - [ 0.0000554500000000, -0.0000781800000000, 0.0000056200000000 ] - [ -0.0008464000000000, 0.0003434100000000, -0.0004835700000000 ] - [ -0.0123259900000000, 0.0049353000000000, -0.0181036800000000 ] - [ 0.0003691400000000, 0.0017758800000000, 0.0048103300000000 ] - [ 0.0009909800000000, 0.0008686900000000, -0.0000554800000000 ] - [ 0.0003137600000000, -0.0003913800000000, 0.0009161300000000 ] - [ -0.0000531200000000, 0.0001462600000000, 0.0019153600000000 ] - [ -0.0002965600000000, -0.0001600500000000, 0.0009230900000000 ] - [ 0.0001811500000000, -0.0006042100000000, 0.0007710500000000 ] - [ 0.0004160200000000, 0.0005246300000000, 0.0004600400000000 ] - [ 0.0004198500000000, 0.0004809600000000, 0.0009282600000000 ] - [ 0.0002049600000000, -0.0010736400000000, 0.0005477100000000 ] - [ 0.0017363600000000, -0.0015895800000000, 0.0010483400000000 ] - [ 0.0016236500000000, 0.0008366500000000, 0.0010054800000000 ] - [ 0.0002289500000000, -0.0007056600000000, 0.0000841000000000 ] - [ -0.0005609100000000, 0.0001973800000000, -0.0000396600000000 ] - [ 0.0013647500000000, 0.0031013200000000, 0.0013192300000000 ] - [ 0.0052373300000000, 0.0050071800000000, -0.0144500700000000 ] - [ -0.0009042600000000, -0.0010004200000000, -0.0001550600000000 ] - [ 0.0001126300000000, 0.0002663800000000, -0.0007395800000000 ] - [ -0.0019327100000000, 0.0021671200000000, -0.0008832300000000 ] - [ 0.0002196500000000, 0.0001461000000000, 0.0002303200000000 ] - [ 0.0050756900000000, -0.0158313400000000, 0.0407597600000000 ] - [ -0.0000522700000000, 0.0000499400000000, 0.0000313700000000 ] - [ 0.0000476600000000, -0.0004020900000000, -0.0002864400000000 ] - [ -0.0023883200000000, -0.0036983900000000, 0.0012233300000000 ] - [ -0.0000058600000000, -0.0010772500000000, 0.0011087500000000 ] - [ 0.0003455100000000, 0.0002707700000000, 0.0000667600000000 ] - [ 0.0001072900000000, 0.0003039100000000, 0.0004469100000000 ] - [ 0.0007274300000000, 0.0004740300000000, -0.0020549400000000 ] - [ 0.0069398500000000, -0.0016335200000000, 0.0017669800000000 ] - [ -0.0000813000000000, -0.0012846600000000, -0.0004954400000000 ] - [ 0.0001658800000000, -0.0001359500000000, 0.0000028900000000 ] - [ -0.0002094000000000, 0.0001650800000000, -0.0005994400000000 ] - [ -0.0024188800000000, -0.0006479100000000, 0.0004673200000000 ] - [ -0.0000545700000000, -0.0003119000000000, -0.0009585000000000 ] - [ -0.0001289800000000, 0.0001114700000000, 0.0000578000000000 ] - [ -0.0000776900000000, -0.0001457900000000, -0.0006229100000000 ] - [ -0.0002215500000000, -0.0001620500000000, 0.0001000600000000 ] - [ 0.0002115700000000, -0.0001171000000000, 0.0004276500000000 ] - [ 0.0000631200000000, 0.0001473000000000, -0.0009392700000000 ] - [ 0.0002408800000000, 0.0001896300000000, -0.0003014200000000 ] - [ 0.0002248300000000, -0.0000372400000000, -0.0005230800000000 ] - [ -0.0000482600000000, -0.0000372200000000, -0.0002748600000000 ] - [ -0.0000403200000000, -0.0003711400000000, 0.0000677000000000 ] - [ 0.0002039300000000, 0.0000522900000000, 0.0000947200000000 ] - [ -0.0002856400000000, 0.0001312300000000, -0.0001093400000000 ] - [ -0.0000591800000000, 0.0000769500000000, -0.0003368300000000 ] - [ -0.0003245500000000, 0.0001267800000000, -0.0000596500000000 ] - [ -0.0003076600000000, -0.0004116800000000, 0.0005313000000000 ] - [ -0.0002638600000000, -0.0003531300000000, 0.0004011400000000 ] - [ -0.0001025700000000, 0.0000541900000000, 0.0001289900000000 ] - [ -0.0005396200000000, 0.0001984500000000, -0.0010829500000000 ] - [ -0.0003347000000000, 0.0002288200000000, -0.0001203200000000 ] - [ -0.0001176500000000, 0.0015416100000000, 0.0014694100000000 ] - [ 0.0002308800000000, -0.0006202200000000, 0.0000244500000000 ] - [ -0.0001192200000000, -0.0000022500000000, -0.0000501400000000 ] - [ -0.0000452000000000, 0.0001870500000000, -0.0000936900000000 ] - [ 0.0002981400000000, 0.0002381300000000, -0.0001843300000000 ] - [ -0.0000918600000000, 0.0003341000000000, 0.0001055500000000 ] - [ 0.0001688900000000, 0.0000410800000000, -0.0002226400000000 ] - [ -0.0001825800000000, -0.0001511700000000, 0.0001531100000000 ] - [ -0.0000185500000000, -0.0001628000000000, 0.0002209100000000 ] - [ 0.0000112000000000, 0.0001026000000000, -0.0000806400000000 ] - [ -0.0001480200000000, 0.0002382600000000, -0.0003968700000000 ] - [ -0.0000483900000000, -0.0001240200000000, -0.0001470600000000 ] - [ -0.0004214000000000, -0.0000326800000000, -0.0003783200000000 ] - [ 0.0000144800000000, 0.0002515500000000, 0.0000685300000000 ] - [ -0.0001363300000000, -0.0000765400000000, -0.0003087300000000 ] - [ -0.0000721500000000, 0.0002245100000000, 0.0001278500000000 ] - [ 0.0001946100000000, -0.0001292600000000, 0.0001823200000000 ] - [ -0.0002779500000000, 0.0002946300000000, 0.0001321900000000 ] - [ -0.0000636700000000, 0.0001387600000000, -0.0000012200000000 ] - [ 0.0002747500000000, 0.0005986100000000, -0.0004304800000000 ] - [ 0.0000205400000000, 0.0000808400000000, 0.0001020100000000 ] - [ 0.0000270200000000, -0.0007868400000000, -0.0004199300000000 ] - [ 0.0059090900000000, -0.0023128800000000, -0.0016853800000000 ] - [ -0.0002014100000000, 0.0002471100000000, -0.0001022000000000 ] - [ -0.0026111700000000, -0.0014238400000000, 0.0014285700000000 ] - [ 0.0002102700000000, 0.0001254400000000, 0.0003492900000000 ] - [ -0.0001483000000000, -0.0003832900000000, 0.0001121800000000 ] - [ -0.0000550700000000, -0.0000324000000000, -0.0001139000000000 ] - [ -0.0002077800000000, -0.0000720400000000, -0.0000916300000000 ] - [ -0.0001795900000000, 0.0001349400000000, -0.0005222700000000 ] - [ -0.0002790200000000, 0.0002576100000000, -0.0001586000000000 ] - [ 0.0000610000000000, -0.0002149000000000, -0.0001573800000000 ] - [ 0.0001035000000000, -0.0003432800000000, 0.0000107800000000 ] - [ -0.0001144900000000, 0.0001225300000000, -0.0001891100000000 ] - [ -0.0002299700000000, -0.0002158900000000, -0.0001355100000000 ] - [ -0.0005402000000000, 0.0002516700000000, -0.0004576000000000 ] - [ -0.0000487100000000, 0.0001319500000000, -0.0004293200000000 ] - [ 0.0003163800000000, 0.0000274200000000, -0.0004635500000000 ] - [ -0.0001732500000000, -0.0000909400000000, 0.0000127600000000 ] - [ 0.0000846300000000, 0.0000028500000000, -0.0000349500000000 ] - [ -0.0004039600000000, -0.0003411600000000, -0.0003383200000000 ] - [ 0.0018766000000000, 0.0001703400000000, -0.0005328300000000 ] - [ -0.0003954100000000, -0.0002494000000000, -0.0001426000000000 ] - [ -0.0000362500000000, -0.0001314000000000, -0.0004111900000000 ] - [ 0.0003990100000000, 0.0004583700000000, -0.0016112800000000 ] - [ 0.0003562000000000, 0.0000902700000000, -0.0015006700000000 ] - [ 0.0009037000000000, 0.0009304100000000, 0.0010083800000000 ] - [ 0.0001044600000000, -0.0001380300000000, -0.0005540500000000 ] - [ -0.0000247500000000, 0.0003118400000000, -0.0004533100000000 ] - [ 0.0003221700000000, 0.0002688000000000, 0.0000062700000000 ] - [ 0.0003742600000000, 0.0017801600000000, -0.0003743900000000 ] - [ -0.0030558900000000, -0.0021214600000000, -0.0048600700000000 ] - [ 0.0000555300000000, -0.0006513600000000, -0.0002209100000000 ] - [ 0.0001540700000000, -0.0000682000000000, -0.0000503400000000 ] - [ -0.0038367000000000, 0.0120955000000000, -0.0057098000000000 ] - [ -0.0000166500000000, 0.0000243900000000, -0.0000423400000000 ] - [ -0.0002795100000000, 0.0003717300000000, -0.0003063000000000 ] - [ 0.0000772400000000, -0.0001044800000000, -0.0003040200000000 ]- atom: 44 displacement: [ 0.0100000000000000, 0.0000000000065404, 0.0000000000000000 ] forces: - [ 0.0045855200000000, 0.0024546300000000, -0.0013244900000000 ] - [ 0.0000529400000000, -0.0003367500000000, -0.0001778500000000 ] - [ 0.0047117800000000, -0.0011032900000000, 0.0006820900000000 ] - [ 0.0002165500000000, 0.0005374900000000, 0.0002540700000000 ] - [ -0.0002498800000000, 0.0000739400000000, 0.0001138700000000 ] - [ -0.0004738600000000, 0.0004740100000000, 0.0000593700000000 ] - [ -0.0001603000000000, 0.0005586600000000, -0.0001678700000000 ] - [ -0.0002611100000000, -0.0001501800000000, 0.0000491000000000 ] - [ -0.0003447900000000, 0.0000639600000000, -0.0003597100000000 ] - [ -0.0002565500000000, 0.0002681200000000, -0.0000093100000000 ] - [ -0.0003708100000000, -0.0000697600000000, 0.0003723600000000 ] - [ -0.0000677000000000, 0.0000329600000000, 0.0001716900000000 ] - [ 0.0003352400000000, -0.0000849100000000, 0.0007807100000000 ] - [ 0.0001389100000000, -0.0001978400000000, -0.0000238700000000 ] - [ -0.0001427600000000, 0.0002138000000000, 0.0000735700000000 ] - [ -0.0002259700000000, 0.0003059400000000, -0.0006524600000000 ] - [ -0.0000478900000000, -0.0000394600000000, -0.0002311800000000 ] - [ 0.0005085600000000, -0.0002795300000000, 0.0003135800000000 ] - [ 0.0021859800000000, -0.0003510600000000, 0.0006753800000000 ] - [ -0.0000850500000000, -0.0000743500000000, 0.0001788700000000 ] - [ -0.0004819900000000, -0.0003173800000000, 0.0002517800000000 ] - [ 0.0016066500000000, 0.0008073600000000, -0.0009585400000000 ] - [ 0.0001829600000000, -0.0004538900000000, 0.0002275500000000 ] - [ 0.0021172900000000, 0.0002235000000000, 0.0001647200000000 ] - [ 0.0001038400000000, 0.0016735100000000, 0.0003307300000000 ] - [ -0.0007015900000000, 0.0024191900000000, 0.0025107800000000 ] - [ -0.0008537900000000, 0.0010739100000000, 0.0004618900000000 ] - [ -0.0021206000000000, 0.0003715600000000, 0.0000633900000000 ] - [ -0.0014950700000000, -0.0004659400000000, 0.0004276100000000 ] - [ -0.0028469600000000, -0.0001055700000000, 0.0004643000000000 ] - [ -0.0005185500000000, -0.0008440200000000, -0.0017093700000000 ] - [ -0.0051757400000000, 0.0005327500000000, 0.0007084300000000 ] - [ -0.0023598800000000, -0.0006197000000000, 0.0004938800000000 ] - [ 0.0003073800000000, 0.0011040900000000, 0.0003731200000000 ] - [ 0.0172968100000000, -0.0186540300000000, -0.0061944600000000 ] - [ 0.0011655600000000, 0.0014051800000000, 0.0017103600000000 ] - [ -0.0011958200000000, -0.0022963000000000, -0.0002001100000000 ] - [ 0.0006938500000000, -0.0012400700000000, 0.0004776200000000 ] - [ 0.0005482500000000, -0.0013267700000000, -0.0000576000000000 ] - [ 0.0003455400000000, 0.0002555400000000, -0.0001647000000000 ] - [ 0.0004255600000000, 0.0002425500000000, -0.0000783200000000 ] - [ -0.0024682000000000, 0.0022877700000000, -0.0001155200000000 ] - [ -0.0003680600000000, 0.0003253000000000, -0.0000600600000000 ] - [ -0.0292227500000000, 0.0190914800000000, 0.0075707500000000 ] - [ -0.0002790500000000, 0.0008969200000000, 0.0009863300000000 ] - [ -0.0001844400000000, 0.0004484600000000, 0.0003905700000000 ] - [ -0.0003072800000000, -0.0002735400000000, -0.0000405000000000 ] - [ -0.0000055600000000, 0.0001878700000000, 0.0009565600000000 ] - [ -0.0009848900000000, -0.0008857500000000, 0.0017265200000000 ] - [ -0.0002291100000000, 0.0002979700000000, -0.0001283300000000 ] - [ -0.0002007900000000, -0.0001528400000000, 0.0001605500000000 ] - [ 0.0004212600000000, 0.0003583000000000, -0.0000506300000000 ] - [ 0.0002697500000000, -0.0004008700000000, 0.0000504000000000 ] - [ -0.0010565800000000, -0.0006631700000000, -0.0008867800000000 ] - [ -0.0000559500000000, -0.0002180600000000, -0.0000644500000000 ] - [ -0.0001543700000000, -0.0002818900000000, -0.0004135200000000 ] - [ 0.0018875100000000, 0.0004627000000000, 0.0001967600000000 ] - [ 0.0001991900000000, -0.0011922700000000, -0.0011554200000000 ] - [ -0.0002562800000000, -0.0004029700000000, 0.0002524200000000 ] - [ 0.0002653500000000, -0.0003435800000000, 0.0001885600000000 ] - [ -0.0000115200000000, -0.0000012800000000, -0.0004055800000000 ] - [ 0.0003493400000000, 0.0000117900000000, -0.0000419000000000 ] - [ 0.0002298200000000, -0.0007450500000000, -0.0004476400000000 ] - [ 0.0003982200000000, -0.0001094000000000, -0.0003304600000000 ] - [ 0.0001583600000000, -0.0008344200000000, -0.0001631700000000 ] - [ 0.0005734900000000, -0.0006413900000000, -0.0001911400000000 ] - [ 0.0003358300000000, 0.0000390100000000, -0.0001114400000000 ] - [ 0.0007150200000000, -0.0002669200000000, 0.0005699400000000 ] - [ 0.0001572900000000, -0.0002091300000000, 0.0001083100000000 ] - [ -0.0000431500000000, -0.0003604300000000, -0.0000903800000000 ] - [ 0.0000782900000000, 0.0004375400000000, 0.0003420300000000 ] - [ -0.0000712600000000, 0.0000278300000000, 0.0000904700000000 ] - [ 0.0001765600000000, -0.0000043100000000, 0.0000760700000000 ] - [ 0.0003938300000000, 0.0001187700000000, -0.0002126400000000 ] - [ 0.0000730600000000, -0.0000983100000000, 0.0000813900000000 ] - [ 0.0004468000000000, -0.0002500900000000, 0.0000311200000000 ] - [ 0.0000845700000000, -0.0003192500000000, -0.0004044200000000 ] - [ 0.0002247700000000, 0.0002691400000000, -0.0000684900000000 ] - [ 0.0005066400000000, -0.0000243900000000, -0.0001118600000000 ] - [ 0.0001786000000000, 0.0001863900000000, 0.0001604300000000 ] - [ 0.0005394700000000, 0.0000382500000000, -0.0002862800000000 ] - [ 0.0000472700000000, -0.0001269100000000, 0.0001387800000000 ] - [ 0.0001294000000000, -0.0002668500000000, 0.0001563400000000 ] - [ 0.0005447100000000, -0.0002347000000000, 0.0000959200000000 ] - [ 0.0011344900000000, 0.0004070700000000, -0.0005111100000000 ] - [ 0.0006485300000000, 0.0000943600000000, -0.0000095600000000 ] - [ 0.0005721000000000, -0.0005883800000000, -0.0004810600000000 ] - [ -0.0001490700000000, -0.0000590800000000, 0.0000025400000000 ] - [ 0.0004044200000000, -0.0002128200000000, -0.0010557200000000 ] - [ 0.0008291600000000, 0.0001780900000000, 0.0002254100000000 ] - [ 0.0002599000000000, 0.0000073400000000, 0.0003549600000000 ] - [ 0.0001017800000000, 0.0002766600000000, -0.0005998800000000 ] - [ 0.0004443400000000, 0.0000970800000000, -0.0001942900000000 ] - [ 0.0010836400000000, 0.0007407400000000, -0.0004987900000000 ] - [ 0.0006770500000000, -0.0014131100000000, -0.0026344000000000 ] - [ -0.0002607200000000, 0.0000876000000000, 0.0000330300000000 ] - [ 0.0001363600000000, 0.0001543300000000, 0.0001108900000000 ] - [ 0.0061066400000000, -0.0024785800000000, -0.0043890300000000 ] - [ -0.0002231400000000, 0.0001527200000000, -0.0003544500000000 ] - [ -0.0011481600000000, 0.0004604900000000, -0.0004901000000000 ] - [ -0.0004477300000000, -0.0002955000000000, 0.0003107900000000 ] - [ 0.0000528100000000, -0.0001926300000000, -0.0000027700000000 ] - [ 0.0002078200000000, -0.0004425000000000, 0.0001608700000000 ] - [ 0.0005258200000000, 0.0000187900000000, 0.0002413800000000 ] - [ 0.0005738000000000, -0.0006362700000000, -0.0000739600000000 ] - [ 0.0000773100000000, -0.0001746200000000, -0.0000362300000000 ] - [ 0.0002084000000000, -0.0006061100000000, -0.0000347300000000 ] - [ 0.0014085200000000, 0.0004711800000000, 0.0008690600000000 ] - [ -0.0009549500000000, -0.0038524800000000, 0.0004794800000000 ] - [ 0.0003273600000000, 0.0002656100000000, -0.0000626600000000 ] - [ -0.0001058700000000, 0.0001575100000000, 0.0003016000000000 ] - [ 0.0001070900000000, -0.0001307700000000, -0.0003558500000000 ] - [ -0.0027122200000000, -0.0014601200000000, 0.0033409100000000 ] - [ -0.0002387600000000, 0.0000690600000000, 0.0003672900000000 ] - [ -0.0004839800000000, 0.0007873300000000, -0.0001250200000000 ] - [ -0.0004594000000000, 0.0001449600000000, -0.0004137600000000 ] - [ -0.0007460800000000, 0.0050209400000000, 0.0013083400000000 ] - [ -0.0007599300000000, 0.0001883500000000, -0.0004064800000000 ] - [ -0.0001487200000000, 0.0002168300000000, 0.0000591800000000 ] - [ -0.0001863900000000, -0.0000787200000000, -0.0003450800000000 ] - [ -0.0004227300000000, 0.0002651100000000, 0.0001795500000000 ] - [ 0.0003046700000000, 0.0002757700000000, -0.0000683700000000 ] - [ -0.0001954400000000, 0.0005168000000000, -0.0007762800000000 ] - [ -0.0001468200000000, 0.0002851500000000, -0.0001417100000000 ] - [ 0.0002790000000000, 0.0004231800000000, -0.0003940000000000 ] - [ -0.0000867800000000, -0.0000054100000000, 0.0000028900000000 ] - [ 0.0010656800000000, 0.0002496100000000, 0.0000239100000000 ] - [ 0.0013330900000000, -0.0018750600000000, -0.0017891900000000 ] - [ -0.0002526200000000, 0.0002130100000000, -0.0000230400000000 ] - [ -0.0002020000000000, -0.0000869900000000, -0.0004096400000000 ] - [ 0.0004473600000000, 0.0000755700000000, 0.0000412900000000 ] - [ 0.0004367300000000, 0.0000282800000000, -0.0003668000000000 ]- atom: 44 displacement: [ -0.0100000000000000, -0.0000000000065404, 0.0000000000000000 ] forces: - [ -0.0047637600000000, -0.0027019900000000, 0.0016494700000000 ] - [ -0.0001133900000000, 0.0002338700000000, -0.0001511300000000 ] - [ -0.0043953600000000, 0.0010711300000000, -0.0009012600000000 ] - [ -0.0002146800000000, -0.0005346100000000, 0.0003423700000000 ] - [ 0.0003567500000000, -0.0000991000000000, 0.0001421600000000 ] - [ 0.0004364400000000, -0.0003628600000000, 0.0001980500000000 ] - [ 0.0002768700000000, -0.0005558800000000, -0.0001616500000000 ] - [ 0.0001876300000000, 0.0000685600000000, 0.0001839200000000 ] - [ 0.0002815900000000, -0.0001726000000000, 0.0000266000000000 ] - [ 0.0001928400000000, -0.0001599200000000, -0.0003203000000000 ] - [ 0.0003693200000000, 0.0000696200000000, 0.0002148500000000 ] - [ 0.0001734400000000, -0.0000541300000000, 0.0000623200000000 ] - [ -0.0003724800000000, 0.0001860000000000, -0.0005446600000000 ] - [ -0.0000123500000000, 0.0001982500000000, -0.0003077100000000 ] - [ 0.0000694600000000, -0.0002894200000000, 0.0001635600000000 ] - [ 0.0001584300000000, -0.0004125700000000, 0.0002995700000000 ] - [ -0.0000109500000000, 0.0001472500000000, -0.0001177400000000 ] - [ -0.0005008700000000, 0.0002807400000000, 0.0002899700000000 ] - [ -0.0020751800000000, 0.0003223500000000, -0.0004213400000000 ] - [ 0.0000516000000000, 0.0001750400000000, 0.0000611300000000 ] - [ 0.0006040900000000, 0.0003136800000000, -0.0005965300000000 ] - [ -0.0028628700000000, -0.0003113000000000, 0.0014747000000000 ] - [ 0.0000170900000000, -0.0008930200000000, 0.0002925700000000 ] - [ -0.0013572400000000, 0.0007453400000000, 0.0009175300000000 ] - [ 0.0009582800000000, -0.0008124000000000, 0.0001905200000000 ] - [ 0.0011708300000000, -0.0035422300000000, -0.0014130100000000 ] - [ -0.0003658700000000, -0.0009035600000000, 0.0006184100000000 ] - [ 0.0008389900000000, 0.0001143000000000, 0.0005019100000000 ] - [ 0.0016969400000000, -0.0008760200000000, 0.0001416700000000 ] - [ 0.0035832200000000, 0.0010646200000000, 0.0005661500000000 ] - [ 0.0015714300000000, 0.0017038400000000, 0.0022839400000000 ] - [ 0.0056389400000000, -0.0016987900000000, 0.0003249100000000 ] - [ 0.0011473700000000, 0.0007923800000000, 0.0005384500000000 ] - [ -0.0015598700000000, -0.0005810100000000, 0.0002015600000000 ] - [ -0.0168838800000000, 0.0172989100000000, 0.0067864600000000 ] - [ -0.0004148500000000, -0.0004271000000000, -0.0006239200000000 ] - [ 0.0022598500000000, 0.0031233700000000, 0.0007696900000000 ] - [ -0.0002217300000000, 0.0001088800000000, 0.0005907100000000 ] - [ -0.0017262200000000, 0.0014811100000000, 0.0011349300000000 ] - [ -0.0003105300000000, -0.0003106100000000, -0.0001398200000000 ] - [ -0.0006093300000000, -0.0005181300000000, 0.0000937800000000 ] - [ 0.0026500200000000, -0.0021082300000000, 0.0000559300000000 ] - [ -0.0002264100000000, 0.0001073800000000, -0.0000032000000000 ] - [ 0.0286436300000000, -0.0188748300000000, -0.0077398500000000 ] - [ 0.0002827200000000, -0.0014676600000000, -0.0010760800000000 ] - [ -0.0000848700000000, -0.0003419000000000, -0.0004049400000000 ] - [ 0.0002041500000000, 0.0004267400000000, -0.0000919900000000 ] - [ 0.0006721200000000, 0.0001128100000000, -0.0010129300000000 ] - [ 0.0009368600000000, 0.0012520100000000, -0.0014200000000000 ] - [ 0.0006637900000000, -0.0003310200000000, -0.0007862900000000 ] - [ -0.0000969100000000, -0.0000686900000000, 0.0001434200000000 ] - [ -0.0002651500000000, -0.0004541600000000, 0.0001610800000000 ] - [ -0.0000833100000000, 0.0004148800000000, -0.0001806700000000 ] - [ 0.0006895700000000, 0.0011118600000000, 0.0000520600000000 ] - [ -0.0000263200000000, 0.0000492400000000, -0.0000670000000000 ] - [ -0.0000548500000000, -0.0002540400000000, -0.0004223300000000 ] - [ -0.0020187400000000, -0.0001706000000000, -0.0001795000000000 ] - [ -0.0004473100000000, 0.0008241200000000, 0.0002343900000000 ] - [ 0.0002540300000000, 0.0004018700000000, 0.0004068500000000 ] - [ 0.0000735700000000, 0.0001941800000000, 0.0001144500000000 ] - [ -0.0001749900000000, 0.0003940900000000, -0.0005060500000000 ] - [ 0.0001403500000000, 0.0002729400000000, -0.0000424900000000 ] - [ 0.0003380200000000, 0.0008314300000000, -0.0003873100000000 ] - [ -0.0004574000000000, 0.0000992500000000, 0.0000244400000000 ] - [ -0.0002346800000000, 0.0000946300000000, 0.0000990500000000 ] - [ -0.0002443400000000, 0.0006379200000000, 0.0002074500000000 ] - [ -0.0008239400000000, 0.0002435700000000, 0.0000242400000000 ] - [ -0.0006826300000000, 0.0003269600000000, -0.0008709400000000 ] - [ -0.0001516300000000, 0.0003856700000000, 0.0000036200000000 ] - [ 0.0000889800000000, 0.0000766300000000, 0.0000710000000000 ] - [ 0.0000100500000000, -0.0004122700000000, -0.0006627500000000 ] - [ -0.0001255400000000, -0.0002793500000000, 0.0000911000000000 ] - [ 0.0000899100000000, 0.0001277300000000, 0.0000127100000000 ] - [ -0.0009784000000000, 0.0003190900000000, 0.0000345800000000 ] - [ -0.0002058300000000, 0.0000546800000000, 0.0001259200000000 ] - [ -0.0004459900000000, -0.0003165500000000, -0.0002837300000000 ] - [ -0.0003264000000000, 0.0004920700000000, 0.0004911800000000 ] - [ -0.0003262900000000, -0.0001265100000000, -0.0000322000000000 ] - [ 0.0001697600000000, 0.0003139000000000, -0.0000666200000000 ] - [ -0.0001932200000000, 0.0002358600000000, 0.0002042700000000 ] - [ -0.0001291700000000, -0.0001084700000000, -0.0005976700000000 ] - [ -0.0004045700000000, -0.0001039200000000, 0.0002260900000000 ] - [ -0.0000265800000000, 0.0001695000000000, 0.0000510400000000 ] - [ -0.0003655300000000, 0.0002551100000000, -0.0001953800000000 ] - [ -0.0014733100000000, 0.0000326800000000, -0.0003852300000000 ] - [ -0.0007157100000000, -0.0002560100000000, -0.0000896400000000 ] - [ -0.0007775800000000, 0.0000726500000000, -0.0004167700000000 ] - [ 0.0000239000000000, 0.0003495100000000, 0.0001760700000000 ] - [ -0.0006742500000000, -0.0001024900000000, 0.0001731500000000 ] - [ -0.0008282700000000, -0.0001767600000000, 0.0001805200000000 ] - [ 0.0001169700000000, -0.0002014400000000, 0.0000092100000000 ] - [ -0.0002422000000000, 0.0001120600000000, -0.0002865800000000 ] - [ 0.0000462200000000, 0.0001804900000000, -0.0000588300000000 ] - [ -0.0005353600000000, -0.0006569100000000, -0.0003976600000000 ] - [ -0.0006897000000000, 0.0012863800000000, 0.0022518200000000 ] - [ 0.0001729500000000, -0.0008195400000000, -0.0002096200000000 ] - [ 0.0001792400000000, -0.0001862900000000, 0.0000705800000000 ] - [ -0.0066681000000000, 0.0028306400000000, 0.0042181500000000 ] - [ 0.0001559400000000, -0.0000837200000000, 0.0000268600000000 ] - [ 0.0011743000000000, -0.0003233800000000, 0.0006964000000000 ] - [ 0.0004186900000000, 0.0000028900000000, -0.0002221500000000 ] - [ 0.0000154000000000, 0.0001806000000000, -0.0000941100000000 ] - [ -0.0004425100000000, 0.0002349000000000, -0.0001390400000000 ] - [ -0.0002617800000000, 0.0001054600000000, -0.0003794500000000 ] - [ -0.0011240400000000, 0.0010819800000000, -0.0001709800000000 ] - [ -0.0002015500000000, 0.0001341100000000, 0.0000366800000000 ] - [ -0.0002074900000000, 0.0000290700000000, -0.0000015100000000 ] - [ -0.0016613700000000, -0.0002996700000000, -0.0010121100000000 ] - [ 0.0008292600000000, 0.0039424800000000, -0.0007319800000000 ] - [ 0.0003429500000000, 0.0000264700000000, -0.0001922500000000 ] - [ 0.0000893200000000, 0.0002634700000000, -0.0000230800000000 ] - [ 0.0003110500000000, 0.0000830900000000, -0.0003351500000000 ] - [ 0.0023659900000000, 0.0011958900000000, -0.0030190300000000 ] - [ 0.0003360600000000, -0.0001560900000000, -0.0003674500000000 ] - [ 0.0006569900000000, -0.0007608700000000, -0.0001306500000000 ] - [ 0.0001494700000000, 0.0002844800000000, -0.0003711600000000 ] - [ 0.0006565800000000, -0.0051238700000000, -0.0015523600000000 ] - [ 0.0005349000000000, -0.0006666300000000, -0.0003808500000000 ] - [ 0.0000843500000000, 0.0000878600000000, -0.0000396700000000 ] - [ -0.0000664500000000, -0.0002583600000000, -0.0003439000000000 ] - [ 0.0004175500000000, -0.0002656000000000, 0.0003044000000000 ] - [ 0.0000720200000000, -0.0004689000000000, 0.0003420400000000 ] - [ 0.0000242100000000, -0.0001311300000000, 0.0000836300000000 ] - [ 0.0006382200000000, 0.0000014800000000, 0.0001089400000000 ] - [ 0.0002448900000000, -0.0003691200000000, -0.0003910500000000 ] - [ 0.0000460000000000, -0.0000540800000000, -0.0001003100000000 ] - [ -0.0011385600000000, -0.0009743900000000, -0.0002761600000000 ] - [ -0.0010309200000000, 0.0017657900000000, 0.0017923000000000 ] - [ -0.0002408500000000, 0.0000761200000000, -0.0000128600000000 ] - [ 0.0001751200000000, 0.0001524200000000, 0.0003105300000000 ] - [ -0.0004184100000000, 0.0000491700000000, -0.0000408200000000 ] - [ -0.0004566200000000, -0.0003168300000000, 0.0002234200000000 ]- atom: 44 displacement: [ -0.0050000000104457, 0.0086602540318135, 0.0000000000000000 ] forces: - [ -0.0027049600000000, 0.0008344600000000, 0.0009859200000000 ] - [ -0.0005566600000000, -0.0006789400000000, -0.0000451600000000 ] - [ -0.0001981400000000, 0.0021177900000000, 0.0001340000000000 ] - [ 0.0003783000000000, -0.0015359100000000, 0.0004708800000000 ] - [ 0.0003219900000000, -0.0002978700000000, 0.0001455100000000 ] - [ 0.0007172700000000, -0.0006447900000000, 0.0002645500000000 ] - [ 0.0010872800000000, -0.0013150400000000, -0.0001478000000000 ] - [ -0.0000379700000000, 0.0000797300000000, 0.0000849200000000 ] - [ 0.0004019400000000, -0.0000039300000000, 0.0000011300000000 ] - [ 0.0005325300000000, -0.0001581400000000, -0.0004166600000000 ] - [ 0.0001919500000000, 0.0002578800000000, 0.0001737800000000 ] - [ 0.0000832400000000, -0.0004222500000000, 0.0000089900000000 ] - [ -0.0001816700000000, 0.0012924100000000, -0.0007418300000000 ] - [ -0.0004508000000000, -0.0001849300000000, -0.0000644500000000 ] - [ 0.0003408100000000, -0.0007984000000000, 0.0002913000000000 ] - [ 0.0010127000000000, -0.0000385200000000, 0.0009370000000000 ] - [ -0.0004340100000000, -0.0003436400000000, -0.0001171600000000 ] - [ -0.0011646600000000, -0.0002859400000000, 0.0011368100000000 ] - [ -0.0009730400000000, 0.0028249300000000, -0.0028317100000000 ] - [ -0.0002543300000000, -0.0002310500000000, 0.0001505500000000 ] - [ 0.0004826200000000, 0.0008118700000000, -0.0004738800000000 ] - [ -0.0008062700000000, 0.0005880500000000, 0.0047161000000000 ] - [ -0.0001935300000000, -0.0027082700000000, 0.0002710200000000 ] - [ -0.0018240600000000, -0.0034636400000000, -0.0017765700000000 ] - [ 0.0024447600000000, -0.0025634500000000, 0.0000543700000000 ] - [ 0.0039454400000000, -0.0045796600000000, -0.0024770600000000 ] - [ 0.0010113200000000, -0.0024493700000000, 0.0006738300000000 ] - [ 0.0005512900000000, 0.0006648100000000, 0.0007044400000000 ] - [ 0.0015260700000000, -0.0010316600000000, 0.0001003700000000 ] - [ 0.0029953200000000, 0.0023021100000000, 0.0005673500000000 ] - [ -0.0020065400000000, 0.0031900600000000, -0.0001488500000000 ] - [ 0.0066615100000000, 0.0026626700000000, 0.0004207100000000 ] - [ -0.0018679400000000, -0.0000129200000000, 0.0006843400000000 ] - [ -0.0032072900000000, -0.0056591100000000, -0.0003106200000000 ] - [ -0.0249558500000000, 0.0820121900000000, 0.0226940900000000 ] - [ -0.0001664500000000, -0.0026714900000000, -0.0034222900000000 ] - [ -0.0035743800000000, 0.0016700900000000, -0.0000495900000000 ] - [ -0.0016901200000000, -0.0014340200000000, 0.0000879900000000 ] - [ -0.0034199400000000, 0.0038172600000000, -0.0016859200000000 ] - [ 0.0005959300000000, -0.0001207800000000, -0.0003146200000000 ] - [ 0.0013597400000000, 0.0001656200000000, -0.0000215400000000 ] - [ 0.0052799300000000, -0.0042315400000000, 0.0069419300000000 ] - [ 0.0002720800000000, 0.0005762000000000, -0.0000993000000000 ] - [ 0.0311593400000000, -0.1005444700000000, -0.0226562900000000 ] - [ 0.0024613000000000, 0.0002610700000000, 0.0018293700000000 ] - [ 0.0001234900000000, 0.0001438400000000, 0.0001853000000000 ] - [ 0.0002895900000000, 0.0013584200000000, -0.0003075900000000 ] - [ 0.0002248700000000, -0.0014470500000000, -0.0011751500000000 ] - [ -0.0004756200000000, 0.0025795000000000, -0.0048574500000000 ] - [ 0.0006408300000000, 0.0012100800000000, 0.0003077100000000 ] - [ -0.0000363200000000, 0.0003172700000000, -0.0000071100000000 ] - [ 0.0005054900000000, 0.0003771500000000, -0.0001041100000000 ] - [ -0.0009302600000000, 0.0011805600000000, -0.0003423700000000 ] - [ -0.0004738300000000, 0.0022872800000000, 0.0011956800000000 ] - [ -0.0003594000000000, 0.0002118100000000, -0.0000851700000000 ] - [ -0.0006227400000000, 0.0007260400000000, -0.0003723000000000 ] - [ -0.0023561300000000, -0.0004301200000000, -0.0001695000000000 ] - [ -0.0010555500000000, 0.0010175600000000, 0.0003707700000000 ] - [ -0.0002040600000000, 0.0010405400000000, 0.0005968000000000 ] - [ -0.0002529200000000, 0.0005437300000000, 0.0000856700000000 ] - [ -0.0004343100000000, 0.0007298800000000, -0.0005755500000000 ] - [ 0.0001793000000000, 0.0004382400000000, -0.0000843400000000 ] - [ 0.0001523200000000, 0.0014624500000000, -0.0004015100000000 ] - [ -0.0004531500000000, -0.0001013600000000, -0.0001486100000000 ] - [ -0.0009302300000000, 0.0009194800000000, 0.0002946900000000 ] - [ -0.0007150600000000, 0.0002791400000000, 0.0002919800000000 ] - [ -0.0012670100000000, 0.0004110200000000, -0.0000205000000000 ] - [ -0.0009304300000000, 0.0000707500000000, -0.0010546400000000 ] - [ -0.0005814200000000, 0.0010336500000000, -0.0001251800000000 ] - [ 0.0001405600000000, 0.0007034000000000, 0.0002821000000000 ] - [ 0.0004136400000000, -0.0007371500000000, 0.0000596200000000 ] - [ 0.0003392600000000, -0.0007132800000000, 0.0002605200000000 ] - [ -0.0000261600000000, 0.0003329200000000, -0.0000567700000000 ] - [ -0.0013525700000000, 0.0001428700000000, 0.0001424100000000 ] - [ -0.0002700600000000, 0.0004623000000000, 0.0002245700000000 ] - [ 0.0003070400000000, -0.0008080700000000, -0.0001000000000000 ] - [ -0.0006222700000000, 0.0008984900000000, 0.0009203600000000 ] - [ -0.0002845000000000, -0.0003537100000000, -0.0000401700000000 ] - [ -0.0000714100000000, 0.0004053100000000, -0.0000291000000000 ] - [ -0.0001578800000000, 0.0001322300000000, 0.0002435400000000 ] - [ -0.0000608100000000, -0.0002620800000000, -0.0005561200000000 ] - [ -0.0003783300000000, -0.0000663100000000, 0.0003001600000000 ] - [ -0.0001599600000000, 0.0003318500000000, 0.0000545000000000 ] - [ 0.0002293600000000, -0.0005492100000000, -0.0001074500000000 ] - [ -0.0015069600000000, -0.0001063900000000, -0.0003966400000000 ] - [ 0.0000538600000000, -0.0000743900000000, -0.0000103300000000 ] - [ -0.0004510900000000, -0.0001509100000000, -0.0004435700000000 ] - [ -0.0005549100000000, 0.0000029300000000, 0.0005000100000000 ] - [ -0.0007196800000000, -0.0004229800000000, 0.0002387000000000 ] - [ -0.0005462100000000, -0.0005314500000000, 0.0000990300000000 ] - [ 0.0003083900000000, -0.0003892200000000, 0.0004470000000000 ] - [ 0.0000735300000000, 0.0001955400000000, -0.0004585600000000 ] - [ 0.0003176400000000, 0.0013101100000000, 0.0000704900000000 ] - [ 0.0003220200000000, -0.0015380900000000, -0.0004504700000000 ] - [ -0.0028659200000000, 0.0053910300000000, 0.0098835800000000 ] - [ 0.0007833700000000, -0.0005128900000000, 0.0002061800000000 ] - [ 0.0003485500000000, 0.0004895200000000, 0.0001939800000000 ] - [ -0.0081457000000000, -0.0038067500000000, 0.0039344900000000 ] - [ 0.0006026900000000, 0.0002052800000000, 0.0004544500000000 ] - [ 0.0008259700000000, -0.0004555900000000, -0.0006957700000000 ] - [ 0.0003032100000000, 0.0000844000000000, 0.0001054000000000 ] - [ -0.0002244400000000, 0.0003641300000000, 0.0000003000000000 ] - [ -0.0012444700000000, 0.0006910900000000, -0.0004348600000000 ] - [ -0.0000144200000000, 0.0002637300000000, -0.0002730900000000 ] - [ -0.0080463000000000, 0.0000521200000000, -0.0015056400000000 ] - [ -0.0001977900000000, 0.0005053400000000, 0.0001026600000000 ] - [ -0.0007373900000000, 0.0008056500000000, 0.0000323100000000 ] - [ -0.0001923500000000, -0.0016636600000000, -0.0014189100000000 ] - [ 0.0029346500000000, 0.0115770600000000, -0.0015288800000000 ] - [ 0.0010937700000000, 0.0011910800000000, -0.0002624200000000 ] - [ 0.0002849500000000, 0.0008748700000000, -0.0003803700000000 ] - [ 0.0001474400000000, 0.0003395900000000, -0.0003461300000000 ] - [ 0.0003718100000000, 0.0045605000000000, -0.0117862300000000 ] - [ 0.0003976300000000, -0.0011880800000000, 0.0001567500000000 ] - [ 0.0011300900000000, 0.0000276500000000, -0.0000919600000000 ] - [ 0.0007284300000000, 0.0007190700000000, -0.0002820700000000 ] - [ 0.0097351100000000, -0.0000364500000000, -0.0007974300000000 ] - [ 0.0007545200000000, -0.0010579200000000, -0.0000479000000000 ] - [ 0.0008147300000000, 0.0009096700000000, -0.0000967500000000 ] - [ 0.0002160400000000, 0.0000311700000000, -0.0003790700000000 ] - [ 0.0009751800000000, 0.0000409900000000, 0.0009354500000000 ] - [ 0.0007036900000000, -0.0003710600000000, -0.0001704600000000 ] - [ -0.0000397700000000, -0.0008201000000000, 0.0002970200000000 ] - [ 0.0001927100000000, -0.0015344700000000, 0.0004499300000000 ] - [ 0.0005089500000000, -0.0001902100000000, -0.0002954300000000 ] - [ 0.0001194000000000, 0.0006429400000000, 0.0005890100000000 ] - [ -0.0004720400000000, -0.0019046900000000, -0.0003243700000000 ] - [ -0.0018047500000000, 0.0014248700000000, 0.0020485500000000 ] - [ 0.0002922200000000, 0.0003552800000000, -0.0000257100000000 ] - [ -0.0002704700000000, 0.0000949000000000, 0.0002081700000000 ] - [ -0.0002078400000000, 0.0000164400000000, -0.0000206400000000 ] - [ -0.0003274500000000, -0.0004105800000000, 0.0001445800000000 ]- atom: 44 displacement: [ 0.0050000000104457, -0.0086602540318135, 0.0000000000000000 ] forces: - [ 0.0025843700000000, -0.0009776700000000, -0.0007044200000000 ] - [ 0.0004936900000000, 0.0005719000000000, -0.0002834500000000 ] - [ 0.0004001200000000, -0.0020884000000000, -0.0003886800000000 ] - [ -0.0003749100000000, 0.0015369100000000, 0.0001250800000000 ] - [ -0.0002121600000000, 0.0002730400000000, 0.0001106300000000 ] - [ -0.0007510500000000, 0.0007486100000000, -0.0000065700000000 ] - [ -0.0009576600000000, 0.0013058700000000, -0.0001811600000000 ] - [ -0.0000354600000000, -0.0001593900000000, 0.0001483700000000 ] - [ -0.0004633200000000, -0.0001064100000000, -0.0003328300000000 ] - [ -0.0005904000000000, 0.0002678900000000, 0.0000853500000000 ] - [ -0.0001937700000000, -0.0002568500000000, 0.0004124400000000 ] - [ 0.0000213200000000, 0.0003959800000000, 0.0002237200000000 ] - [ 0.0001454200000000, -0.0011790200000000, 0.0009745900000000 ] - [ 0.0005749700000000, 0.0001817300000000, -0.0002661000000000 ] - [ -0.0004117100000000, 0.0007163200000000, -0.0000522000000000 ] - [ -0.0010724900000000, -0.0000592800000000, -0.0012820200000000 ] - [ 0.0003714900000000, 0.0004469400000000, -0.0002313300000000 ] - [ 0.0011595200000000, 0.0002912200000000, -0.0005288200000000 ] - [ 0.0010943900000000, -0.0028606400000000, 0.0030246500000000 ] - [ 0.0002201100000000, 0.0003316800000000, 0.0000886500000000 ] - [ -0.0003540800000000, -0.0008115200000000, 0.0001238000000000 ] - [ -0.0004416900000000, -0.0001043000000000, -0.0042061100000000 ] - [ 0.0003975800000000, 0.0013533500000000, 0.0002461400000000 ] - [ 0.0025913900000000, 0.0044056500000000, 0.0028570300000000 ] - [ -0.0013705300000000, 0.0034035600000000, 0.0004605800000000 ] - [ -0.0034696200000000, 0.0034260600000000, 0.0035683100000000 ] - [ -0.0022129500000000, 0.0026086000000000, 0.0004108000000000 ] - [ -0.0018283900000000, -0.0001697200000000, -0.0001409200000000 ] - [ -0.0013204800000000, -0.0003203100000000, 0.0004646300000000 ] - [ -0.0022446800000000, -0.0013368700000000, 0.0004675700000000 ] - [ 0.0030222300000000, -0.0023371000000000, 0.0006906000000000 ] - [ -0.0061892600000000, -0.0037598900000000, 0.0006171300000000 ] - [ 0.0006377400000000, 0.0001685900000000, 0.0003534200000000 ] - [ 0.0019132400000000, 0.0061137500000000, 0.0008780200000000 ] - [ 0.0242619700000000, -0.0792409600000000, -0.0205963800000000 ] - [ 0.0009054800000000, 0.0036181300000000, 0.0044525900000000 ] - [ 0.0046342600000000, -0.0008095200000000, 0.0006238600000000 ] - [ 0.0021424100000000, 0.0003015900000000, 0.0009783300000000 ] - [ 0.0022188900000000, -0.0036352400000000, 0.0027492200000000 ] - [ -0.0005529100000000, 0.0000701500000000, 0.0000063800000000 ] - [ -0.0015298100000000, -0.0004367400000000, 0.0000365500000000 ] - [ -0.0050272400000000, 0.0043342900000000, -0.0069428500000000 ] - [ -0.0008635400000000, -0.0001402600000000, 0.0000350300000000 ] - [ -0.0306618500000000, 0.0965244500000000, 0.0212843100000000 ] - [ -0.0024524300000000, -0.0008038100000000, -0.0019005600000000 ] - [ -0.0003898500000000, -0.0000402600000000, -0.0002022800000000 ] - [ -0.0003931300000000, -0.0011999200000000, 0.0001750500000000 ] - [ 0.0004448200000000, 0.0017432700000000, 0.0011109200000000 ] - [ 0.0004332100000000, -0.0022234100000000, 0.0051845800000000 ] - [ -0.0002110400000000, -0.0012370300000000, -0.0012178900000000 ] - [ -0.0002617900000000, -0.0005372600000000, 0.0003095800000000 ] - [ -0.0003488100000000, -0.0004738900000000, 0.0002143100000000 ] - [ 0.0011117700000000, -0.0011591600000000, 0.0002121900000000 ] - [ 0.0001076900000000, -0.0018397600000000, -0.0020376100000000 ] - [ 0.0002730100000000, -0.0003799300000000, -0.0000460800000000 ] - [ 0.0004088700000000, -0.0012563500000000, -0.0004635300000000 ] - [ 0.0022089100000000, 0.0007196000000000, 0.0001849500000000 ] - [ 0.0008076800000000, -0.0013765000000000, -0.0012869900000000 ] - [ 0.0002002400000000, -0.0010374400000000, 0.0000616100000000 ] - [ 0.0005894000000000, -0.0006884400000000, 0.0002172800000000 ] - [ 0.0002443100000000, -0.0003349400000000, -0.0003369400000000 ] - [ 0.0003084700000000, -0.0001553300000000, -0.0000000700000000 ] - [ 0.0004147700000000, -0.0013675500000000, -0.0004338700000000 ] - [ 0.0003913300000000, 0.0000925100000000, -0.0001558100000000 ] - [ 0.0008444800000000, -0.0016483100000000, -0.0003551700000000 ] - [ 0.0010358900000000, -0.0002889500000000, -0.0002742200000000 ] - [ 0.0007760600000000, -0.0001249100000000, -0.0000669300000000 ] - [ 0.0009580500000000, -0.0000150300000000, 0.0007505200000000 ] - [ 0.0005820600000000, -0.0008466800000000, 0.0002351000000000 ] - [ -0.0000923400000000, -0.0009772000000000, -0.0002975100000000 ] - [ -0.0003226700000000, 0.0007567500000000, -0.0003854600000000 ] - [ -0.0005316000000000, 0.0004578900000000, -0.0000768300000000 ] - [ 0.0002908200000000, -0.0002087100000000, 0.0001448200000000 ] - [ 0.0007636000000000, 0.0002972800000000, -0.0003195100000000 ] - [ 0.0001359100000000, -0.0005053900000000, -0.0000170700000000 ] - [ -0.0003064700000000, 0.0002383300000000, -0.0001535500000000 ] - [ 0.0003779000000000, -0.0007194500000000, -0.0008270500000000 ] - [ 0.0001821200000000, 0.0004946800000000, -0.0000603500000000 ] - [ 0.0007442700000000, -0.0001179300000000, -0.0001491100000000 ] - [ 0.0001425400000000, 0.0002884600000000, 0.0001213100000000 ] - [ 0.0004699100000000, 0.0001908600000000, -0.0003287300000000 ] - [ 0.0000206700000000, -0.0001630500000000, 0.0000647700000000 ] - [ 0.0002633500000000, -0.0004241600000000, 0.0001522600000000 ] - [ -0.0000440200000000, 0.0005622000000000, 0.0000096300000000 ] - [ 0.0011629600000000, 0.0005434600000000, -0.0005001100000000 ] - [ -0.0001138500000000, -0.0000849700000000, -0.0000880900000000 ] - [ 0.0002442900000000, -0.0003623800000000, -0.0004545500000000 ] - [ 0.0004206900000000, 0.0002809600000000, -0.0003139800000000 ] - [ 0.0004506600000000, 0.0001034500000000, -0.0011208700000000 ] - [ 0.0005478100000000, 0.0005310900000000, 0.0003044700000000 ] - [ 0.0000704900000000, 0.0001944600000000, -0.0000777700000000 ] - [ -0.0002117700000000, 0.0001950100000000, -0.0004281200000000 ] - [ 0.0001754600000000, -0.0010176800000000, -0.0003213300000000 ] - [ 0.0002331800000000, 0.0016162700000000, -0.0004470800000000 ] - [ 0.0028024300000000, -0.0054326800000000, -0.0101037400000000 ] - [ -0.0008694800000000, -0.0002135200000000, -0.0003801100000000 ] - [ -0.0000310400000000, -0.0005155900000000, -0.0000110900000000 ] - [ 0.0076101200000000, 0.0040074800000000, -0.0041571500000000 ] - [ -0.0006617900000000, -0.0001348900000000, -0.0007748900000000 ] - [ -0.0008051600000000, 0.0005943500000000, 0.0008938100000000 ] - [ -0.0003338600000000, -0.0003734800000000, -0.0000138900000000 ] - [ 0.0002902100000000, -0.0003744400000000, -0.0000958900000000 ] - [ 0.0010009000000000, -0.0008943100000000, 0.0004525400000000 ] - [ 0.0002795600000000, -0.0001365500000000, 0.0001348600000000 ] - [ 0.0073804800000000, 0.0003728200000000, 0.0012344800000000 ] - [ 0.0000733600000000, -0.0005401300000000, -0.0001012200000000 ] - [ 0.0007325100000000, -0.0013720700000000, -0.0000671100000000 ] - [ -0.0000266100000000, 0.0018225800000000, 0.0012753100000000 ] - [ -0.0030136800000000, -0.0113249800000000, 0.0012481900000000 ] - [ -0.0004139400000000, -0.0008856400000000, 0.0000056500000000 ] - [ -0.0002967000000000, -0.0004475900000000, 0.0006506800000000 ] - [ 0.0002706300000000, -0.0003855700000000, -0.0003401700000000 ] - [ -0.0007091300000000, -0.0047626900000000, 0.0118744700000000 ] - [ -0.0002918400000000, 0.0010945500000000, -0.0001476800000000 ] - [ -0.0009416900000000, -0.0000106100000000, -0.0001640800000000 ] - [ -0.0010269300000000, -0.0002841500000000, -0.0005010000000000 ] - [ -0.0097399900000000, -0.0001792700000000, 0.0005165600000000 ] - [ -0.0009691400000000, 0.0005670800000000, -0.0007347600000000 ] - [ -0.0008766000000000, -0.0006015000000000, 0.0001160000000000 ] - [ -0.0004657200000000, -0.0003673200000000, -0.0003083700000000 ] - [ -0.0009673900000000, -0.0000432100000000, -0.0004453200000000 ] - [ -0.0003258900000000, 0.0001725100000000, 0.0004432100000000 ] - [ -0.0001318400000000, 0.0011962300000000, -0.0009756600000000 ] - [ 0.0002964000000000, 0.0018144400000000, -0.0004750900000000 ] - [ 0.0000177200000000, 0.0002403300000000, -0.0004880700000000 ] - [ -0.0001601800000000, -0.0006983700000000, -0.0006825200000000 ] - [ 0.0003902000000000, 0.0011704100000000, 0.0000690100000000 ] - [ 0.0020950000000000, -0.0015061800000000, -0.0020308200000000 ] - [ -0.0007820300000000, -0.0000659700000000, -0.0000096300000000 ] - [ 0.0002428300000000, -0.0000261900000000, -0.0003048000000000 ] - [ 0.0002349000000000, 0.0001074000000000, 0.0000213700000000 ] - [ 0.0003049100000000, 0.0001197600000000, -0.0002853200000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0020331400000000, -0.0017009800000000, 0.0028028700000000 ] - [ -0.0001365200000000, -0.0001260600000000, -0.0000401200000000 ] - [ 0.0022012300000000, -0.0004237700000000, 0.0021861700000000 ] - [ 0.0000243300000000, -0.0000431500000000, 0.0005664100000000 ] - [ 0.0001102600000000, -0.0000895000000000, 0.0001842300000000 ] - [ 0.0000809700000000, -0.0000208900000000, 0.0002379300000000 ] - [ 0.0003043500000000, -0.0003157100000000, -0.0000531000000000 ] - [ -0.0000893200000000, -0.0000425000000000, 0.0000313700000000 ] - [ -0.0000725400000000, 0.0000122600000000, -0.0003191000000000 ] - [ 0.0001038300000000, -0.0000110700000000, -0.0003239500000000 ] - [ 0.0000228900000000, 0.0000774100000000, 0.0001389400000000 ] - [ 0.0000548700000000, -0.0001017800000000, 0.0000360500000000 ] - [ 0.0002361100000000, 0.0002608800000000, -0.0010349400000000 ] - [ 0.0000735400000000, 0.0000228900000000, -0.0003960300000000 ] - [ 0.0000418600000000, -0.0001234500000000, 0.0001607900000000 ] - [ -0.0004982900000000, 0.0004771500000000, -0.0002462200000000 ] - [ -0.0001636700000000, -0.0000700700000000, -0.0001568600000000 ] - [ 0.0002091800000000, 0.0006054000000000, 0.0002633600000000 ] - [ -0.0000856800000000, 0.0003129600000000, 0.0034189200000000 ] - [ -0.0000507000000000, -0.0000230700000000, 0.0001222600000000 ] - [ 0.0005350300000000, 0.0002707200000000, -0.0003113400000000 ] - [ -0.0009647900000000, 0.0010986500000000, -0.0031919100000000 ] - [ 0.0001056100000000, -0.0008759000000000, -0.0001162300000000 ] - [ -0.0002486400000000, -0.0022172900000000, -0.0000326500000000 ] - [ 0.0007646900000000, 0.0000099400000000, -0.0001765500000000 ] - [ 0.0021341700000000, -0.0027593500000000, -0.0001877800000000 ] - [ -0.0003355800000000, -0.0005275900000000, 0.0005883900000000 ] - [ -0.0006969100000000, 0.0004699500000000, 0.0004781100000000 ] - [ 0.0003652200000000, -0.0007805100000000, 0.0003364600000000 ] - [ 0.0005508000000000, 0.0007073300000000, 0.0008662000000000 ] - [ -0.0026287400000000, -0.0000077000000000, -0.0004847800000000 ] - [ 0.0027264200000000, -0.0000194700000000, 0.0020813900000000 ] - [ -0.0005730400000000, 0.0001400900000000, 0.0010766600000000 ] - [ -0.0012648900000000, -0.0011860500000000, 0.0004911600000000 ] - [ -0.0067914700000000, 0.0212829900000000, 0.0209571900000000 ] - [ 0.0004546300000000, -0.0005843200000000, -0.0013982900000000 ] - [ -0.0004823000000000, 0.0002406800000000, 0.0010698900000000 ] - [ -0.0002232300000000, -0.0009482200000000, 0.0000530700000000 ] - [ -0.0028251100000000, 0.0001670200000000, -0.0047322500000000 ] - [ 0.0003984200000000, 0.0001956600000000, -0.0007175400000000 ] - [ -0.0002102100000000, -0.0002335000000000, -0.0000206900000000 ] - [ 0.0029684900000000, 0.0034739300000000, 0.0073190900000000 ] - [ -0.0001865300000000, 0.0002652900000000, -0.0000067600000000 ] - [ 0.0076029400000000, -0.0210386400000000, -0.0324459400000000 ] - [ 0.0017062200000000, 0.0014956200000000, 0.0009212600000000 ] - [ -0.0000643200000000, 0.0001391900000000, 0.0000512900000000 ] - [ -0.0000958300000000, -0.0000716200000000, 0.0000794200000000 ] - [ 0.0005201600000000, -0.0002875200000000, 0.0005170600000000 ] - [ 0.0003907000000000, -0.0010625800000000, 0.0009884500000000 ] - [ 0.0003494100000000, 0.0001888400000000, -0.0009943200000000 ] - [ -0.0001412700000000, -0.0000809000000000, 0.0001441100000000 ] - [ 0.0002040500000000, 0.0000843400000000, -0.0000528700000000 ] - [ 0.0001675500000000, -0.0000538200000000, 0.0000805200000000 ] - [ -0.0005596000000000, 0.0016042900000000, -0.0000038100000000 ] - [ -0.0001012100000000, -0.0000671900000000, -0.0000275700000000 ] - [ -0.0002930300000000, 0.0001133600000000, -0.0004780800000000 ] - [ 0.0000046800000000, 0.0001078700000000, -0.0000211500000000 ] - [ -0.0003240600000000, -0.0000375500000000, -0.0009620300000000 ] - [ -0.0001117600000000, 0.0004163600000000, 0.0005242100000000 ] - [ 0.0001181600000000, 0.0000109900000000, 0.0001666600000000 ] - [ -0.0001562300000000, 0.0002928100000000, -0.0006219300000000 ] - [ 0.0002512700000000, 0.0002063800000000, -0.0000888500000000 ] - [ 0.0002425800000000, 0.0004723600000000, -0.0004798200000000 ] - [ -0.0001152700000000, -0.0001012300000000, -0.0003422300000000 ] - [ -0.0002345300000000, -0.0000835300000000, 0.0000834800000000 ] - [ -0.0000678200000000, 0.0001587100000000, 0.0000562800000000 ] - [ -0.0005827000000000, 0.0002195600000000, -0.0001094900000000 ] - [ -0.0002133200000000, 0.0000788500000000, -0.0006369500000000 ] - [ -0.0001567100000000, 0.0003028400000000, -0.0000528200000000 ] - [ 0.0000508700000000, 0.0000836000000000, 0.0000747500000000 ] - [ 0.0004705400000000, 0.0001950300000000, -0.0002062200000000 ] - [ 0.0002714200000000, -0.0003120200000000, 0.0004575500000000 ] - [ 0.0001531500000000, 0.0001154400000000, 0.0001450500000000 ] - [ -0.0007252200000000, 0.0002202100000000, 0.0000696100000000 ] - [ -0.0001026100000000, 0.0000742300000000, 0.0001485200000000 ] - [ 0.0000938400000000, -0.0003582800000000, -0.0001517200000000 ] - [ -0.0002908300000000, 0.0003875100000000, 0.0004940900000000 ] - [ -0.0000724900000000, -0.0000212400000000, -0.0000511300000000 ] - [ 0.0003511700000000, 0.0001611700000000, -0.0000537200000000 ] - [ -0.0000131600000000, 0.0001862600000000, 0.0002987200000000 ] - [ 0.0002030500000000, -0.0000690200000000, -0.0004246500000000 ] - [ -0.0002020900000000, -0.0001105800000000, 0.0003154700000000 ] - [ 0.0000313300000000, -0.0000118400000000, 0.0001356500000000 ] - [ 0.0005122100000000, -0.0003731800000000, -0.0000272400000000 ] - [ -0.0005537200000000, 0.0001607900000000, -0.0004296000000000 ] - [ 0.0003737900000000, 0.0000507100000000, -0.0000161300000000 ] - [ -0.0001221600000000, -0.0002654300000000, -0.0004656900000000 ] - [ -0.0002437500000000, 0.0000816100000000, 0.0004436100000000 ] - [ -0.0004880600000000, -0.0001748500000000, -0.0001787500000000 ] - [ -0.0001008400000000, -0.0001538300000000, 0.0000290400000000 ] - [ 0.0003056600000000, -0.0001024000000000, 0.0008083100000000 ] - [ -0.0000812600000000, 0.0001875000000000, -0.0003982200000000 ] - [ 0.0002545100000000, 0.0003896600000000, -0.0000887400000000 ] - [ -0.0000439700000000, -0.0003952600000000, -0.0005727000000000 ] - [ -0.0004064300000000, 0.0011329600000000, 0.0019878500000000 ] - [ 0.0002471600000000, -0.0000782800000000, 0.0002179400000000 ] - [ 0.0001875700000000, 0.0001291900000000, 0.0001865200000000 ] - [ -0.0063044700000000, 0.0011871000000000, 0.0010526400000000 ] - [ 0.0001106600000000, 0.0000775200000000, -0.0000157800000000 ] - [ 0.0001634200000000, -0.0004465400000000, 0.0007645100000000 ] - [ -0.0002071800000000, 0.0000333100000000, 0.0009464100000000 ] - [ -0.0000570000000000, 0.0000309900000000, 0.0000937000000000 ] - [ -0.0002423800000000, -0.0000487700000000, -0.0001283200000000 ] - [ 0.0000643900000000, 0.0001155900000000, -0.0002509700000000 ] - [ -0.0028767700000000, 0.0000806100000000, -0.0014804100000000 ] - [ -0.0000844500000000, 0.0001071100000000, 0.0000456900000000 ] - [ -0.0001288400000000, -0.0000600600000000, 0.0000748400000000 ] - [ 0.0008344300000000, -0.0004918100000000, -0.0011049300000000 ] - [ 0.0010920000000000, 0.0042729400000000, -0.0007680600000000 ] - [ 0.0005089900000000, 0.0003612800000000, -0.0002437100000000 ] - [ 0.0000617800000000, 0.0002493900000000, -0.0001985900000000 ] - [ 0.0002279900000000, -0.0001307100000000, 0.0001933800000000 ] - [ 0.0018159800000000, -0.0081350700000000, -0.0024906400000000 ] - [ 0.0014256500000000, 0.0000702500000000, 0.0006618700000000 ] - [ 0.0003139600000000, 0.0000459400000000, -0.0001988300000000 ] - [ 0.0000122000000000, 0.0003553400000000, -0.0002593900000000 ] - [ 0.0024348200000000, 0.0002095000000000, -0.0017968100000000 ] - [ -0.0001136400000000, -0.0002257600000000, 0.0003061700000000 ] - [ 0.0002770800000000, 0.0004682600000000, -0.0001205800000000 ] - [ -0.0001130600000000, -0.0001727400000000, -0.0001530500000000 ] - [ 0.0002747800000000, 0.0003782200000000, 0.0005931100000000 ] - [ 0.0001258300000000, -0.0002229400000000, -0.0002705300000000 ] - [ -0.0007015900000000, -0.0005135200000000, 0.0016353900000000 ] - [ 0.0000194200000000, -0.0001215900000000, 0.0015938500000000 ] - [ 0.0004134700000000, 0.0001732100000000, -0.0001695700000000 ] - [ -0.0000015900000000, 0.0002911300000000, 0.0004014100000000 ] - [ -0.0000490800000000, -0.0005477600000000, -0.0003701200000000 ] - [ -0.0014853000000000, 0.0013304300000000, 0.0004193100000000 ] - [ -0.0001333000000000, 0.0001877800000000, 0.0000380600000000 ] - [ 0.0000725600000000, 0.0002045200000000, 0.0007900400000000 ] - [ -0.0000346100000000, 0.0000292200000000, 0.0000331700000000 ] - [ -0.0000215000000000, -0.0001390900000000, -0.0001861500000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0019351800000000, 0.0015871700000000, -0.0025613100000000 ] - [ 0.0000761600000000, 0.0000230200000000, -0.0002893900000000 ] - [ -0.0022420000000000, 0.0005190000000000, -0.0025335900000000 ] - [ -0.0000243300000000, 0.0000432500000000, 0.0000295700000000 ] - [ -0.0000026100000000, 0.0000652500000000, 0.0000716600000000 ] - [ -0.0001154600000000, 0.0001268600000000, 0.0000194300000000 ] - [ -0.0001865100000000, 0.0003172000000000, -0.0002770000000000 ] - [ 0.0000146700000000, -0.0000384000000000, 0.0002035500000000 ] - [ 0.0000085500000000, -0.0001214800000000, -0.0000091700000000 ] - [ -0.0001664600000000, 0.0001196100000000, -0.0000044700000000 ] - [ -0.0000229900000000, -0.0000780500000000, 0.0004492400000000 ] - [ 0.0000508900000000, 0.0000789500000000, 0.0001985100000000 ] - [ -0.0002654300000000, -0.0001608700000000, 0.0012763000000000 ] - [ 0.0000542400000000, -0.0000221100000000, 0.0000671600000000 ] - [ -0.0001149800000000, 0.0000454200000000, 0.0000758000000000 ] - [ 0.0004386800000000, -0.0005876500000000, -0.0001060600000000 ] - [ 0.0001053700000000, 0.0001774400000000, -0.0001926600000000 ] - [ -0.0002083700000000, -0.0006100000000000, 0.0003372500000000 ] - [ 0.0002404100000000, -0.0003767700000000, -0.0036027200000000 ] - [ 0.0000172200000000, 0.0001248300000000, 0.0001162700000000 ] - [ -0.0004156700000000, -0.0002738100000000, -0.0000402300000000 ] - [ -0.0003055000000000, -0.0005815700000000, 0.0037304800000000 ] - [ 0.0000933900000000, -0.0004683300000000, 0.0006405500000000 ] - [ 0.0010120000000000, 0.0032074900000000, 0.0011092900000000 ] - [ 0.0002973800000000, 0.0008472600000000, 0.0007018800000000 ] - [ -0.0016815500000000, 0.0016326900000000, 0.0012626700000000 ] - [ -0.0008832600000000, 0.0006989200000000, 0.0004902300000000 ] - [ -0.0005797200000000, 0.0000180000000000, 0.0000829900000000 ] - [ -0.0001592800000000, -0.0005658900000000, 0.0002279100000000 ] - [ 0.0002091000000000, 0.0002587500000000, 0.0001637400000000 ] - [ 0.0037123600000000, 0.0008722000000000, 0.0010456600000000 ] - [ -0.0022805400000000, -0.0011327900000000, -0.0010511300000000 ] - [ -0.0006400700000000, 0.0000276200000000, -0.0000467000000000 ] - [ 0.0000057300000000, 0.0017049300000000, 0.0000830600000000 ] - [ 0.0069530300000000, -0.0225014800000000, -0.0205873300000000 ] - [ 0.0003013100000000, 0.0015496400000000, 0.0024923200000000 ] - [ 0.0015680400000000, 0.0006137800000000, -0.0004919800000000 ] - [ 0.0006898400000000, -0.0001873000000000, 0.0010210100000000 ] - [ 0.0016014900000000, -0.0000192700000000, 0.0058191100000000 ] - [ -0.0003661300000000, -0.0002518500000000, 0.0004186500000000 ] - [ 0.0000303800000000, -0.0000399000000000, 0.0000356300000000 ] - [ -0.0027339200000000, -0.0032095300000000, -0.0072563900000000 ] - [ -0.0004078000000000, 0.0001675100000000, -0.0000577100000000 ] - [ -0.0077074500000000, 0.0208375800000000, 0.0331761600000000 ] - [ -0.0017199500000000, -0.0020796300000000, -0.0010100500000000 ] - [ -0.0002040300000000, -0.0000362600000000, -0.0000718800000000 ] - [ -0.0000082000000000, 0.0002213900000000, -0.0002147800000000 ] - [ 0.0001564200000000, 0.0005821700000000, -0.0005861200000000 ] - [ -0.0004255000000000, 0.0014181700000000, -0.0006898200000000 ] - [ 0.0000844800000000, -0.0002217800000000, 0.0000871100000000 ] - [ -0.0001561700000000, -0.0001406700000000, 0.0001577300000000 ] - [ -0.0000513700000000, -0.0001841600000000, 0.0001649800000000 ] - [ 0.0000221500000000, 0.0000660600000000, -0.0002141400000000 ] - [ 0.0002018700000000, -0.0011652600000000, -0.0008283500000000 ] - [ 0.0000190600000000, -0.0001020800000000, -0.0001055800000000 ] - [ 0.0000844800000000, -0.0006519600000000, -0.0003564100000000 ] - [ -0.0001616800000000, 0.0001808900000000, 0.0000341600000000 ] - [ 0.0000751500000000, -0.0003203600000000, 0.0000560600000000 ] - [ 0.0001117600000000, -0.0004193600000000, 0.0001355600000000 ] - [ 0.0002200100000000, -0.0001591400000000, 0.0001340000000000 ] - [ -0.0000307600000000, 0.0001000900000000, -0.0002880800000000 ] - [ 0.0002373300000000, 0.0000768200000000, 0.0000051400000000 ] - [ 0.0003260500000000, -0.0003840600000000, -0.0003534600000000 ] - [ 0.0000537500000000, 0.0000938400000000, 0.0000411200000000 ] - [ 0.0001559100000000, -0.0006549200000000, -0.0001485200000000 ] - [ 0.0003963200000000, -0.0001652300000000, -0.0000402100000000 ] - [ 0.0000944500000000, 0.0000634400000000, 0.0000240700000000 ] - [ 0.0002454900000000, -0.0000208500000000, 0.0003383600000000 ] - [ 0.0001614300000000, -0.0001252900000000, 0.0001650400000000 ] - [ -0.0000047700000000, -0.0003658100000000, -0.0000962700000000 ] - [ -0.0003754500000000, -0.0001704300000000, -0.0001305200000000 ] - [ -0.0004591400000000, 0.0000569300000000, -0.0002763700000000 ] - [ 0.0001134500000000, 0.0000071100000000, -0.0000566300000000 ] - [ 0.0001412300000000, 0.0002179600000000, -0.0002468700000000 ] - [ -0.0000298000000000, -0.0001195300000000, 0.0000578600000000 ] - [ -0.0000955100000000, -0.0002102000000000, -0.0001033300000000 ] - [ 0.0000492300000000, -0.0002140900000000, -0.0004066300000000 ] - [ -0.0000299800000000, 0.0001630000000000, -0.0000501400000000 ] - [ 0.0003233100000000, 0.0001272800000000, -0.0001247400000000 ] - [ -0.0000019600000000, 0.0002348800000000, 0.0000650600000000 ] - [ 0.0002059300000000, -0.0000026000000000, -0.0004633600000000 ] - [ -0.0001553800000000, -0.0001197400000000, 0.0000485100000000 ] - [ 0.0000718800000000, -0.0000832800000000, 0.0000702100000000 ] - [ -0.0003373100000000, 0.0003957800000000, -0.0000722800000000 ] - [ 0.0002121400000000, 0.0002773400000000, -0.0004669800000000 ] - [ -0.0004459800000000, -0.0002138000000000, -0.0000840700000000 ] - [ -0.0000876500000000, -0.0002476700000000, -0.0004319600000000 ] - [ 0.0001166300000000, 0.0002098700000000, -0.0002666300000000 ] - [ 0.0002195200000000, -0.0001413200000000, -0.0007078200000000 ] - [ 0.0001002800000000, 0.0001556700000000, 0.0003782400000000 ] - [ 0.0000677200000000, -0.0000929300000000, -0.0004471500000000 ] - [ -0.0000595400000000, 0.0002018400000000, -0.0004896000000000 ] - [ 0.0002356300000000, -0.0001100100000000, -0.0001643200000000 ] - [ 0.0005953500000000, 0.0004797400000000, -0.0003237900000000 ] - [ 0.0004012900000000, -0.0012627200000000, -0.0023766300000000 ] - [ -0.0003376100000000, -0.0006558800000000, -0.0003959300000000 ] - [ 0.0001276900000000, -0.0001609900000000, -0.0000052700000000 ] - [ 0.0057856500000000, -0.0008765700000000, -0.0013168600000000 ] - [ -0.0001776500000000, -0.0000085100000000, -0.0003131700000000 ] - [ -0.0001411200000000, 0.0005782000000000, -0.0005608400000000 ] - [ 0.0001775800000000, -0.0003333400000000, -0.0008610700000000 ] - [ 0.0001246700000000, -0.0000426300000000, -0.0001910800000000 ] - [ 0.0000049100000000, -0.0001574800000000, 0.0001505200000000 ] - [ 0.0001994500000000, 0.0000089100000000, 0.0001139500000000 ] - [ 0.0023073300000000, 0.0003515300000000, 0.0012368400000000 ] - [ -0.0000401200000000, -0.0001461700000000, -0.0000448400000000 ] - [ 0.0001282100000000, -0.0005144900000000, -0.0001115100000000 ] - [ -0.0010764100000000, 0.0006665500000000, 0.0009749900000000 ] - [ -0.0012058000000000, -0.0041685700000000, 0.0005218200000000 ] - [ 0.0001621700000000, -0.0000678500000000, -0.0000108400000000 ] - [ -0.0000776500000000, 0.0001722300000000, 0.0004779800000000 ] - [ 0.0001895000000000, 0.0000857400000000, -0.0008867900000000 ] - [ -0.0021962700000000, 0.0079992100000000, 0.0027950300000000 ] - [ -0.0013503200000000, -0.0001628200000000, -0.0006632600000000 ] - [ -0.0001374300000000, -0.0000270200000000, -0.0000577600000000 ] - [ -0.0003206300000000, 0.0000756500000000, -0.0005255400000000 ] - [ -0.0025502300000000, -0.0003978600000000, 0.0015363400000000 ] - [ -0.0001137700000000, -0.0002454500000000, -0.0010939800000000 ] - [ -0.0003435400000000, -0.0001659800000000, 0.0001416900000000 ] - [ -0.0001391900000000, -0.0001639000000000, -0.0005358100000000 ] - [ -0.0002775600000000, -0.0003737800000000, -0.0001109500000000 ] - [ 0.0002504300000000, 0.0000271200000000, 0.0005502700000000 ] - [ 0.0005415700000000, 0.0009082100000000, -0.0023363400000000 ] - [ 0.0004767100000000, 0.0004021600000000, -0.0016452400000000 ] - [ 0.0001145900000000, -0.0001134900000000, -0.0006161900000000 ] - [ -0.0000391100000000, -0.0003530800000000, -0.0005011300000000 ] - [ -0.0000346300000000, -0.0001853500000000, 0.0001182600000000 ] - [ 0.0017944300000000, -0.0014347000000000, -0.0003942500000000 ] - [ -0.0003592900000000, 0.0001007600000000, -0.0000743500000000 ] - [ -0.0000931600000000, -0.0001452700000000, -0.0008880400000000 ] - [ 0.0000631900000000, 0.0000945300000000, -0.0000321500000000 ] - [ -0.0000015700000000, -0.0001520800000000, 0.0000475300000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000065404, 0.0000000000000000 ] forces: - [ 0.0024076600000000, -0.0007693500000000, -0.0013105000000000 ] - [ 0.0008301100000000, -0.0000081900000000, -0.0005686600000000 ] - [ -0.0007491800000000, -0.0003725800000000, -0.0007022900000000 ] - [ -0.0005713100000000, 0.0006039600000000, -0.0003701500000000 ] - [ -0.0001295100000000, 0.0005530700000000, 0.0001171600000000 ] - [ -0.0006825000000000, -0.0000275300000000, 0.0000646000000000 ] - [ -0.0000480400000000, 0.0003416300000000, -0.0002095400000000 ] - [ -0.0003421200000000, 0.0001876700000000, 0.0000640900000000 ] - [ -0.0006502800000000, -0.0001342500000000, -0.0001098800000000 ] - [ -0.0001195900000000, 0.0006385000000000, -0.0002080700000000 ] - [ -0.0008670400000000, 0.0002797300000000, -0.0003592800000000 ] - [ -0.0002939600000000, -0.0003999400000000, 0.0000126500000000 ] - [ 0.0010640300000000, 0.0003455200000000, -0.0005650200000000 ] - [ 0.0010152200000000, -0.0008445300000000, -0.0008827000000000 ] - [ -0.0004245600000000, -0.0000602500000000, 0.0001252600000000 ] - [ 0.0004401800000000, 0.0009654100000000, -0.0000837100000000 ] - [ 0.0000540700000000, -0.0012508600000000, -0.0000970100000000 ] - [ 0.0000826400000000, -0.0003266500000000, 0.0002992400000000 ] - [ 0.0021849500000000, -0.0008628200000000, 0.0004652500000000 ] - [ 0.0001539100000000, 0.0006632900000000, 0.0001960300000000 ] - [ -0.0006162200000000, -0.0002382300000000, -0.0001482500000000 ] - [ -0.0008695600000000, -0.0008463100000000, 0.0030705000000000 ] - [ 0.0002978200000000, 0.0012509100000000, 0.0013630800000000 ] - [ 0.0135652600000000, 0.0065808800000000, 0.0042662700000000 ] - [ -0.0009341100000000, 0.0012539800000000, 0.0006601900000000 ] - [ -0.0076163900000000, 0.0003016300000000, 0.0021219100000000 ] - [ -0.0026521600000000, 0.0039268000000000, 0.0009157100000000 ] - [ -0.0043050700000000, 0.0043777200000000, 0.0007567100000000 ] - [ -0.0061700800000000, -0.0016943300000000, 0.0006832300000000 ] - [ -0.0020399400000000, 0.0009218500000000, 0.0008483100000000 ] - [ 0.0369725600000000, -0.0085986500000000, 0.0099225400000000 ] - [ -0.0001616500000000, 0.0024846700000000, 0.0035117800000000 ] - [ -0.0030716800000000, -0.0020081100000000, 0.0048171600000000 ] - [ -0.0009851500000000, -0.0010998400000000, 0.0003733400000000 ] - [ 0.0025970200000000, -0.0028494100000000, -0.0005901800000000 ] - [ 0.0007461600000000, 0.0006957100000000, 0.0003930900000000 ] - [ 0.0000856900000000, 0.0004179300000000, 0.0001166400000000 ] - [ 0.0011072500000000, -0.0015747000000000, 0.0005212900000000 ] - [ -0.0008690100000000, -0.0011881800000000, 0.0012763300000000 ] - [ 0.0074558700000000, 0.0034287000000000, -0.0072456300000000 ] - [ -0.0013614900000000, 0.0005009900000000, -0.0004373000000000 ] - [ -0.0000992900000000, 0.0003260700000000, -0.0000049900000000 ] - [ -0.0009313100000000, 0.0003115100000000, -0.0000792300000000 ] - [ -0.0003656700000000, 0.0026240800000000, 0.0017681100000000 ] - [ -0.0682800300000000, 0.0125544500000000, -0.0201461600000000 ] - [ -0.0002076600000000, 0.0000886200000000, 0.0000578300000000 ] - [ -0.0002480100000000, -0.0004030700000000, -0.0003668500000000 ] - [ 0.0007153400000000, 0.0006964100000000, -0.0000754500000000 ] - [ -0.0000091300000000, 0.0002991000000000, 0.0005452200000000 ] - [ -0.0006872000000000, -0.0033154700000000, 0.0033251000000000 ] - [ -0.0002559300000000, -0.0004323600000000, 0.0003087700000000 ] - [ 0.0000023700000000, -0.0003228400000000, 0.0001561600000000 ] - [ 0.0006660700000000, -0.0004595300000000, -0.0001492900000000 ] - [ 0.0121294900000000, -0.0045503800000000, -0.0013674700000000 ] - [ 0.0002401400000000, -0.0002525500000000, -0.0000971800000000 ] - [ 0.0021511900000000, -0.0037610400000000, 0.0003251700000000 ] - [ 0.0007133500000000, 0.0004837100000000, -0.0000814000000000 ] - [ 0.0008187300000000, -0.0002610100000000, 0.0002010800000000 ] - [ 0.0013464000000000, -0.0012175400000000, -0.0002403300000000 ] - [ 0.0004747600000000, -0.0002243300000000, 0.0002326000000000 ] - [ 0.0001608800000000, -0.0003178600000000, -0.0002542300000000 ] - [ 0.0002144800000000, -0.0013490500000000, -0.0002334600000000 ] - [ 0.0006762000000000, -0.0008176300000000, -0.0003410100000000 ] - [ 0.0005319700000000, -0.0001691300000000, -0.0004699800000000 ] - [ 0.0001390100000000, -0.0007701700000000, -0.0000605100000000 ] - [ 0.0002809600000000, -0.0010000900000000, -0.0001859300000000 ] - [ 0.0017240600000000, 0.0004828700000000, -0.0001203800000000 ] - [ 0.0003953800000000, -0.0006542900000000, -0.0003548500000000 ] - [ 0.0002903900000000, 0.0001148600000000, 0.0001081800000000 ] - [ 0.0001311900000000, -0.0000364400000000, -0.0001217800000000 ] - [ 0.0002488800000000, 0.0001476300000000, -0.0003228100000000 ] - [ 0.0002911000000000, -0.0000804400000000, 0.0000590400000000 ] - [ 0.0002579200000000, -0.0004433600000000, -0.0000805200000000 ] - [ 0.0017050300000000, 0.0005506000000000, -0.0001937200000000 ] - [ 0.0001398300000000, -0.0007469100000000, -0.0000244600000000 ] - [ 0.0003867500000000, -0.0006682500000000, -0.0001108200000000 ] - [ 0.0005211100000000, -0.0004048500000000, -0.0007283200000000 ] - [ 0.0007015900000000, -0.0000932300000000, -0.0000809400000000 ] - [ 0.0002542300000000, -0.0012677600000000, -0.0001621900000000 ] - [ 0.0003812900000000, -0.0002900500000000, 0.0005011800000000 ] - [ 0.0006040300000000, -0.0001231700000000, -0.0004212200000000 ] - [ 0.0005172900000000, 0.0000078100000000, 0.0004775200000000 ] - [ 0.0005579300000000, 0.0001794700000000, 0.0000091200000000 ] - [ 0.0056616500000000, -0.0077009900000000, 0.0003566400000000 ] - [ 0.0004980600000000, 0.0000395400000000, -0.0005497000000000 ] - [ 0.0079458600000000, 0.0031873600000000, 0.0002987800000000 ] - [ 0.0007340000000000, -0.0005921500000000, -0.0005641200000000 ] - [ -0.0004337700000000, -0.0003623300000000, 0.0003035000000000 ] - [ -0.0002404500000000, -0.0004909400000000, -0.0004863300000000 ] - [ 0.0008520900000000, -0.0003667500000000, -0.0004409100000000 ] - [ -0.0005390900000000, 0.0003974500000000, 0.0078069000000000 ] - [ 0.0000466400000000, 0.0004925000000000, -0.0006429700000000 ] - [ 0.0007331000000000, 0.0009542200000000, -0.0001876300000000 ] - [ 0.0000952100000000, -0.0000956400000000, -0.0008627300000000 ] - [ -0.0002461300000000, 0.0000366900000000, 0.0000471000000000 ] - [ -0.0003682600000000, 0.0120656400000000, 0.0084895800000000 ] - [ 0.0000155500000000, 0.0008652700000000, 0.0003824900000000 ] - [ -0.0015886300000000, 0.0000536200000000, -0.0001731200000000 ] - [ -0.0001883600000000, 0.0002598000000000, -0.0003063100000000 ] - [ -0.0014093200000000, 0.0005199500000000, -0.0000125200000000 ] - [ 0.0009647800000000, -0.0003011800000000, -0.0059453800000000 ] - [ 0.0003174300000000, -0.0002546400000000, -0.0002791300000000 ] - [ 0.0004944200000000, -0.0006702100000000, 0.0001189500000000 ] - [ 0.0010625900000000, 0.0003505600000000, -0.0001063400000000 ] - [ -0.0013954000000000, -0.0002936000000000, -0.0003560900000000 ] - [ 0.0003832100000000, 0.0005881700000000, 0.0000943500000000 ] - [ 0.0003857900000000, -0.0004312400000000, 0.0000311400000000 ] - [ 0.0009809700000000, -0.0052444600000000, -0.0060777800000000 ] - [ -0.0000034200000000, 0.0005045400000000, -0.0001160300000000 ] - [ 0.0004527700000000, 0.0012737200000000, -0.0002795500000000 ] - [ 0.0000709300000000, 0.0004625000000000, 0.0001192100000000 ] - [ 0.0000987300000000, -0.0000900200000000, -0.0003117400000000 ] - [ -0.0007405400000000, 0.0004243400000000, 0.0002322200000000 ] - [ -0.0063329400000000, -0.0047811200000000, 0.0021315300000000 ] - [ -0.0001725800000000, 0.0002846500000000, -0.0001031300000000 ] - [ -0.0002106200000000, 0.0003696800000000, -0.0003629600000000 ] - [ 0.0000737500000000, 0.0002036000000000, -0.0000330600000000 ] - [ -0.0005949600000000, 0.0000320500000000, -0.0004028300000000 ] - [ -0.0039847000000000, -0.0012534200000000, 0.0008802700000000 ] - [ -0.0003157200000000, 0.0000133200000000, -0.0004087300000000 ] - [ -0.0001073200000000, 0.0002385200000000, 0.0002400400000000 ] - [ 0.0002506900000000, -0.0000793100000000, 0.0002198300000000 ] - [ 0.0003330200000000, 0.0008453200000000, -0.0011019900000000 ] - [ 0.0001054500000000, 0.0009203300000000, -0.0005237500000000 ] - [ 0.0003811400000000, 0.0003635100000000, -0.0004381700000000 ] - [ -0.0009533800000000, -0.0021275200000000, -0.0038575700000000 ] - [ 0.0005360400000000, -0.0004614300000000, -0.0000141600000000 ] - [ 0.0013154300000000, 0.0003935300000000, 0.0000488700000000 ] - [ -0.0006656500000000, -0.0001428000000000, -0.0000739300000000 ] - [ 0.0004473900000000, 0.0001422400000000, -0.0008038000000000 ] - [ 0.0009816600000000, -0.0003390000000000, 0.0002109100000000 ] - [ 0.0004579300000000, -0.0002040300000000, -0.0004636100000000 ]- atom: 45 displacement: [ -0.0100000000000000, -0.0000000000065404, 0.0000000000000000 ] forces: - [ -0.0024833500000000, 0.0007008500000000, 0.0015957300000000 ] - [ -0.0008989200000000, -0.0001019800000000, 0.0002468000000000 ] - [ 0.0006970800000000, 0.0004786800000000, 0.0003717700000000 ] - [ 0.0005814600000000, -0.0006051100000000, 0.0009687500000000 ] - [ 0.0002394300000000, -0.0005822800000000, 0.0001388700000000 ] - [ 0.0006514200000000, 0.0001350100000000, 0.0001921400000000 ] - [ 0.0001703000000000, -0.0003445200000000, -0.0001197400000000 ] - [ 0.0002707100000000, -0.0002706400000000, 0.0001705700000000 ] - [ 0.0005922400000000, 0.0000256400000000, -0.0002191900000000 ] - [ 0.0000588200000000, -0.0005341400000000, -0.0001207100000000 ] - [ 0.0008738500000000, -0.0002811000000000, 0.0009544500000000 ] - [ 0.0004003500000000, 0.0003807500000000, 0.0002222900000000 ] - [ -0.0011065900000000, -0.0002427300000000, 0.0008056700000000 ] - [ -0.0008975800000000, 0.0008534200000000, 0.0005542000000000 ] - [ 0.0003544100000000, -0.0000168500000000, 0.0001121500000000 ] - [ -0.0005055600000000, -0.0010772600000000, -0.0002666300000000 ] - [ -0.0001231600000000, 0.0013640000000000, -0.0002527600000000 ] - [ -0.0000830700000000, 0.0003260700000000, 0.0003055900000000 ] - [ -0.0019579800000000, 0.0009676000000000, -0.0002788500000000 ] - [ -0.0001888900000000, -0.0005706000000000, 0.0000422100000000 ] - [ 0.0007427700000000, 0.0002372200000000, -0.0002013900000000 ] - [ -0.0003766900000000, 0.0013622900000000, -0.0025599100000000 ] - [ -0.0000928400000000, -0.0026192000000000, -0.0008555600000000 ] - [ -0.0127054700000000, -0.0058188400000000, -0.0032645900000000 ] - [ 0.0020139200000000, -0.0004043000000000, -0.0001405000000000 ] - [ 0.0080911400000000, -0.0014313800000000, -0.0010310900000000 ] - [ 0.0014661900000000, -0.0037899000000000, 0.0001632500000000 ] - [ 0.0030615800000000, -0.0039273000000000, -0.0002018600000000 ] - [ 0.0064193000000000, 0.0003594600000000, -0.0001245100000000 ] - [ 0.0028071800000000, 0.0000422200000000, 0.0001794500000000 ] - [ -0.0377446000000000, 0.0103045000000000, -0.0102699200000000 ] - [ 0.0006229700000000, -0.0036376100000000, -0.0024989800000000 ] - [ 0.0018545300000000, 0.0021907000000000, -0.0038161600000000 ] - [ -0.0002849000000000, 0.0016060300000000, 0.0001963500000000 ] - [ -0.0024062500000000, 0.0015254500000000, 0.0011646600000000 ] - [ -0.0000032800000000, 0.0002646200000000, 0.0006814700000000 ] - [ 0.0009777300000000, 0.0004231400000000, 0.0004541100000000 ] - [ -0.0006513400000000, 0.0004427500000000, 0.0005480300000000 ] - [ -0.0003334900000000, 0.0013538800000000, -0.0001976200000000 ] - [ -0.0075396400000000, -0.0035481800000000, 0.0070554600000000 ] - [ 0.0012021700000000, -0.0007791000000000, 0.0004531600000000 ] - [ 0.0003169700000000, -0.0001465200000000, -0.0000137000000000 ] - [ 0.0003426000000000, 0.0001237200000000, 0.0000153300000000 ] - [ 0.0001963800000000, -0.0027243000000000, -0.0016577600000000 ] - [ 0.0697926400000000, -0.0138079400000000, 0.0211083700000000 ] - [ -0.0000594600000000, 0.0000176000000000, -0.0000737700000000 ] - [ 0.0001439100000000, 0.0005589300000000, 0.0002363100000000 ] - [ -0.0000461800000000, -0.0004045300000000, 0.0000098900000000 ] - [ -0.0000345000000000, 0.0000653500000000, -0.0002458100000000 ] - [ 0.0010825800000000, 0.0033102800000000, -0.0042611900000000 ] - [ -0.0000425600000000, 0.0002147100000000, -0.0000083500000000 ] - [ 0.0001557800000000, 0.0002312000000000, -0.0000469500000000 ] - [ -0.0004852800000000, 0.0004796100000000, 0.0000184700000000 ] - [ -0.0122869200000000, 0.0048749900000000, 0.0005236700000000 ] - [ -0.0003283500000000, 0.0000849700000000, -0.0000334500000000 ] - [ -0.0023881000000000, 0.0032684600000000, -0.0011681000000000 ] - [ -0.0008720200000000, -0.0001965400000000, 0.0000961400000000 ] - [ -0.0010689100000000, -0.0000973100000000, -0.0011082800000000 ] - [ -0.0013792100000000, 0.0012203300000000, 0.0009034100000000 ] - [ -0.0001388300000000, 0.0000782400000000, 0.0000685600000000 ] - [ -0.0003521100000000, 0.0007154900000000, -0.0006585000000000 ] - [ 0.0002735100000000, 0.0016476900000000, 0.0001519000000000 ] - [ -0.0001122000000000, 0.0009064300000000, -0.0004943400000000 ] - [ -0.0005970800000000, 0.0001632400000000, 0.0001713800000000 ] - [ -0.0002204500000000, 0.0000375100000000, -0.0000026600000000 ] - [ 0.0000443300000000, 0.0010012900000000, 0.0002038100000000 ] - [ -0.0022213400000000, -0.0002021700000000, 0.0000362500000000 ] - [ -0.0003661500000000, 0.0007182500000000, 0.0000583500000000 ] - [ -0.0002876200000000, 0.0000660400000000, 0.0000032600000000 ] - [ -0.0000842700000000, -0.0002429700000000, 0.0001033700000000 ] - [ -0.0001566200000000, -0.0001250300000000, -0.0000043800000000 ] - [ -0.0004848600000000, -0.0001732800000000, 0.0001221500000000 ] - [ 0.0000048100000000, 0.0005722200000000, 0.0001694300000000 ] - [ -0.0023005400000000, -0.0001112600000000, 0.0000156700000000 ] - [ -0.0002755000000000, 0.0007103500000000, 0.0002325600000000 ] - [ -0.0003887600000000, 0.0001034200000000, -0.0001426800000000 ] - [ -0.0007666200000000, 0.0005787000000000, 0.0008167000000000 ] - [ -0.0008104800000000, 0.0002374100000000, -0.0000181500000000 ] - [ 0.0004214300000000, 0.0015700900000000, -0.0000154300000000 ] - [ -0.0004000300000000, 0.0007175700000000, -0.0001404400000000 ] - [ -0.0001980800000000, 0.0000535400000000, -0.0004661000000000 ] - [ -0.0008803900000000, -0.0002395200000000, -0.0001165700000000 ] - [ -0.0004575600000000, -0.0002759000000000, 0.0001976100000000 ] - [ -0.0055494100000000, 0.0078140400000000, -0.0004565100000000 ] - [ -0.0008441000000000, 0.0004006700000000, -0.0003465000000000 ] - [ -0.0080851600000000, -0.0033861600000000, -0.0003958000000000 ] - [ -0.0009464700000000, 0.0000802700000000, -0.0003332900000000 ] - [ 0.0003073800000000, 0.0006548800000000, -0.0001246300000000 ] - [ -0.0000267200000000, 0.0001771500000000, -0.0003996100000000 ] - [ -0.0008562400000000, 0.0003700400000000, 0.0008523400000000 ] - [ 0.0009304300000000, -0.0006076200000000, -0.0075452700000000 ] - [ -0.0001858900000000, -0.0001061000000000, -0.0002442300000000 ] - [ -0.0002443000000000, -0.0006760900000000, -0.0000643200000000 ] - [ 0.0004608800000000, 0.0001766200000000, -0.0000325900000000 ] - [ 0.0002225900000000, -0.0001343400000000, -0.0003762000000000 ] - [ 0.0003498200000000, -0.0129343900000000, -0.0087529500000000 ] - [ 0.0003032300000000, -0.0008975700000000, -0.0002006300000000 ] - [ 0.0011062600000000, 0.0002264700000000, -0.0000807200000000 ] - [ 0.0001259600000000, -0.0001903200000000, -0.0000178900000000 ] - [ 0.0014392000000000, -0.0003886700000000, 0.0002129300000000 ] - [ -0.0010204500000000, -0.0000033200000000, 0.0060514100000000 ] - [ -0.0002527500000000, 0.0002451000000000, 0.0001847700000000 ] - [ -0.0007381300000000, 0.0004691000000000, -0.0000992600000000 ] - [ -0.0008030400000000, -0.0002279800000000, -0.0000271300000000 ] - [ 0.0008084300000000, 0.0007297200000000, 0.0001038400000000 ] - [ -0.0005094100000000, -0.0006337600000000, -0.0000947900000000 ] - [ -0.0003896600000000, -0.0001397900000000, -0.0000673600000000 ] - [ -0.0012128200000000, 0.0054685700000000, 0.0060119600000000 ] - [ -0.0001009200000000, -0.0003629900000000, -0.0001402300000000 ] - [ 0.0002240700000000, -0.0009828900000000, 0.0000240500000000 ] - [ -0.0000851700000000, -0.0000385500000000, 0.0001569000000000 ] - [ 0.0003196700000000, 0.0000456600000000, -0.0003794700000000 ] - [ 0.0003805500000000, -0.0006570500000000, 0.0000472600000000 ] - [ 0.0065204900000000, 0.0047074400000000, -0.0021262300000000 ] - [ 0.0003540200000000, -0.0002623100000000, -0.0001518900000000 ] - [ -0.0000926800000000, 0.0000624700000000, -0.0004217200000000 ] - [ -0.0001449300000000, -0.0003685200000000, -0.0002218800000000 ] - [ 0.0003751000000000, -0.0005118500000000, -0.0003839700000000 ] - [ 0.0039396100000000, 0.0015799700000000, -0.0008598400000000 ] - [ 0.0000670700000000, -0.0003485700000000, -0.0002784000000000 ] - [ 0.0001085300000000, -0.0002371800000000, 0.0002448500000000 ] - [ 0.0001281800000000, -0.0001148000000000, 0.0000552800000000 ] - [ -0.0004991200000000, -0.0004593200000000, 0.0004078300000000 ] - [ 0.0003866000000000, -0.0006455600000000, 0.0004884000000000 ] - [ 0.0001454200000000, -0.0003070000000000, -0.0003470000000000 ] - [ 0.0009208000000000, 0.0020882200000000, 0.0037939700000000 ] - [ -0.0006199100000000, -0.0002706400000000, -0.0002386000000000 ] - [ -0.0010197700000000, -0.0004867800000000, -0.0000262000000000 ] - [ 0.0001775100000000, 0.0004359100000000, 0.0000390500000000 ] - [ -0.0004786100000000, -0.0000774100000000, 0.0007011700000000 ] - [ -0.0009621900000000, 0.0004690000000000, -0.0002122100000000 ] - [ -0.0004838100000000, -0.0000853600000000, 0.0003281500000000 ]- atom: 45 displacement: [ -0.0050000000104457, 0.0086602540318135, 0.0000000000000000 ] forces: - [ -0.0018301600000000, 0.0027686400000000, 0.0003368100000000 ] - [ -0.0012894100000000, -0.0005866200000000, 0.0009551400000000 ] - [ 0.0000846200000000, 0.0007338700000000, 0.0000554100000000 ] - [ 0.0011854700000000, -0.0003499800000000, 0.0012683900000000 ] - [ 0.0003838300000000, -0.0009431200000000, 0.0002107200000000 ] - [ 0.0005970800000000, 0.0002167800000000, 0.0001900000000000 ] - [ 0.0003573500000000, -0.0006490400000000, -0.0000821800000000 ] - [ 0.0001681800000000, -0.0005103400000000, 0.0001527500000000 ] - [ 0.0004740200000000, 0.0001573000000000, -0.0002152700000000 ] - [ 0.0003302400000000, -0.0007802000000000, -0.0001729400000000 ] - [ 0.0009740500000000, -0.0001176800000000, 0.0009430200000000 ] - [ 0.0002110300000000, 0.0003704200000000, 0.0001745000000000 ] - [ -0.0008915300000000, -0.0002197700000000, 0.0013647200000000 ] - [ -0.0009425800000000, 0.0013464300000000, -0.0002053900000000 ] - [ 0.0003831800000000, -0.0001666000000000, 0.0000988600000000 ] - [ -0.0000047100000000, -0.0021019200000000, -0.0001879500000000 ] - [ -0.0012886600000000, 0.0008949300000000, -0.0002574200000000 ] - [ -0.0004377100000000, -0.0003023300000000, 0.0003644800000000 ] - [ -0.0021373400000000, 0.0023660100000000, -0.0000796200000000 ] - [ -0.0003666400000000, -0.0014818900000000, -0.0000082600000000 ] - [ 0.0003357700000000, 0.0001107000000000, -0.0002077000000000 ] - [ -0.0000339500000000, 0.0038956300000000, -0.0027027300000000 ] - [ 0.0009112700000000, -0.0038821300000000, -0.0025622900000000 ] - [ -0.0103594600000000, 0.0164580600000000, 0.0017028700000000 ] - [ 0.0026878500000000, -0.0003507700000000, -0.0003373500000000 ] - [ 0.0080532000000000, 0.0011815400000000, -0.0005921000000000 ] - [ 0.0044302400000000, -0.0057235800000000, -0.0000216200000000 ] - [ 0.0038452800000000, -0.0048333600000000, -0.0000422800000000 ] - [ 0.0058766800000000, 0.0009670300000000, -0.0002217700000000 ] - [ 0.0026762600000000, 0.0001765500000000, 0.0001850100000000 ] - [ -0.0189937600000000, 0.0198240400000000, -0.0038426100000000 ] - [ 0.0028329100000000, -0.0043345100000000, -0.0039391700000000 ] - [ 0.0007442900000000, 0.0032786900000000, -0.0024484900000000 ] - [ -0.0012254200000000, 0.0004234100000000, 0.0003352900000000 ] - [ -0.0023447700000000, -0.0020751700000000, -0.0012575800000000 ] - [ -0.0002239800000000, -0.0012718700000000, 0.0007569600000000 ] - [ -0.0002434400000000, -0.0009991000000000, 0.0004656300000000 ] - [ -0.0017400300000000, -0.0011265400000000, 0.0000376200000000 ] - [ -0.0016932100000000, 0.0005829400000000, 0.0007093700000000 ] - [ -0.0035584100000000, -0.0048556300000000, 0.0055826200000000 ] - [ 0.0013665700000000, -0.0011793900000000, 0.0002815200000000 ] - [ 0.0006551800000000, -0.0000720900000000, 0.0004943000000000 ] - [ 0.0006344700000000, 0.0003528600000000, 0.0000938300000000 ] - [ 0.0010786300000000, -0.0002802600000000, 0.0007343200000000 ] - [ 0.0462731500000000, -0.0561753800000000, 0.0050099800000000 ] - [ 0.0000305500000000, 0.0003484800000000, 0.0001420900000000 ] - [ -0.0002312200000000, -0.0002711400000000, 0.0004023100000000 ] - [ 0.0000084900000000, -0.0007526900000000, 0.0000056400000000 ] - [ 0.0000192500000000, -0.0003972600000000, -0.0000219900000000 ] - [ -0.0013781500000000, 0.0054236500000000, -0.0095501700000000 ] - [ -0.0001584600000000, 0.0003504300000000, -0.0000667800000000 ] - [ 0.0005160500000000, 0.0008722500000000, -0.0002812200000000 ] - [ -0.0004087200000000, 0.0001885700000000, 0.0000225300000000 ] - [ -0.0127727700000000, 0.0001612300000000, -0.0002701400000000 ] - [ -0.0008900200000000, 0.0000067600000000, 0.0000252600000000 ] - [ -0.0052393900000000, 0.0072458800000000, -0.0022384300000000 ] - [ -0.0006858900000000, -0.0002292600000000, 0.0001039000000000 ] - [ -0.0010609600000000, -0.0004011900000000, -0.0010882100000000 ] - [ -0.0041388200000000, 0.0011216400000000, 0.0013112600000000 ] - [ -0.0002758700000000, 0.0001047700000000, 0.0000334400000000 ] - [ -0.0007142500000000, 0.0009521000000000, -0.0009240300000000 ] - [ 0.0001652900000000, 0.0023693400000000, 0.0002013100000000 ] - [ -0.0004879600000000, 0.0005152600000000, -0.0005927800000000 ] - [ -0.0005054800000000, 0.0000517900000000, 0.0000952500000000 ] - [ -0.0004363300000000, 0.0003394700000000, 0.0000081600000000 ] - [ -0.0001925300000000, 0.0014785000000000, 0.0003193300000000 ] - [ -0.0021380500000000, -0.0002798500000000, 0.0000458500000000 ] - [ -0.0008527400000000, 0.0009989300000000, -0.0002618600000000 ] - [ -0.0002214300000000, 0.0001492600000000, -0.0000032600000000 ] - [ 0.0000538700000000, 0.0000142200000000, -0.0000784600000000 ] - [ 0.0001511500000000, 0.0000911300000000, -0.0002503500000000 ] - [ -0.0001143200000000, -0.0002203100000000, 0.0000911600000000 ] - [ -0.0003037100000000, 0.0009217000000000, 0.0002471900000000 ] - [ -0.0020977100000000, -0.0002573100000000, 0.0000135600000000 ] - [ -0.0004450300000000, 0.0012692900000000, 0.0003637200000000 ] - [ -0.0003212300000000, 0.0002468000000000, -0.0001181400000000 ] - [ -0.0008385000000000, 0.0004060200000000, 0.0007607300000000 ] - [ -0.0008200700000000, 0.0001633800000000, -0.0000151600000000 ] - [ 0.0002014600000000, 0.0020977700000000, 0.0000594600000000 ] - [ -0.0004853300000000, 0.0008038900000000, -0.0001242600000000 ] - [ -0.0001815200000000, 0.0000511100000000, -0.0004487600000000 ] - [ -0.0008256900000000, -0.0003247000000000, -0.0000923900000000 ] - [ -0.0004793300000000, -0.0003597800000000, 0.0002158700000000 ] - [ -0.0056051300000000, 0.0073379000000000, -0.0004153200000000 ] - [ -0.0012624900000000, 0.0004057800000000, -0.0003074100000000 ] - [ -0.0090000200000000, -0.0040589500000000, -0.0005444300000000 ] - [ -0.0007051200000000, -0.0001887600000000, -0.0003433700000000 ] - [ 0.0003189800000000, 0.0010646700000000, -0.0002966700000000 ] - [ -0.0002527600000000, 0.0001785600000000, -0.0002049600000000 ] - [ -0.0010627200000000, -0.0000613300000000, 0.0008505900000000 ] - [ 0.0006087600000000, -0.0013338200000000, -0.0077916900000000 ] - [ -0.0000865500000000, -0.0002806600000000, -0.0003268800000000 ] - [ -0.0000801900000000, -0.0005326700000000, -0.0000904900000000 ] - [ 0.0000309800000000, -0.0006284500000000, 0.0000117800000000 ] - [ 0.0001122900000000, 0.0003915400000000, 0.0001807500000000 ] - [ 0.0108620600000000, -0.0084051800000000, 0.0035695800000000 ] - [ 0.0005810500000000, -0.0003577600000000, 0.0001787600000000 ] - [ 0.0005847900000000, 0.0003645500000000, 0.0002523200000000 ] - [ 0.0003484600000000, -0.0000827900000000, 0.0001120000000000 ] - [ 0.0014861000000000, -0.0008687700000000, 0.0004386500000000 ] - [ -0.0021449900000000, -0.0035691500000000, 0.0077159000000000 ] - [ -0.0006179100000000, 0.0002635800000000, 0.0005169500000000 ] - [ -0.0014305500000000, 0.0009215400000000, -0.0002471300000000 ] - [ -0.0004877900000000, -0.0003342300000000, 0.0000978000000000 ] - [ 0.0003127800000000, 0.0010465800000000, 0.0002796300000000 ] - [ -0.0002569400000000, -0.0008309100000000, -0.0001106200000000 ] - [ -0.0005281600000000, 0.0001253000000000, -0.0000513000000000 ] - [ -0.0043487800000000, 0.0064921500000000, 0.0069709600000000 ] - [ 0.0002001800000000, 0.0007505400000000, -0.0000940500000000 ] - [ 0.0007337300000000, -0.0007852000000000, -0.0002827800000000 ] - [ 0.0001221400000000, 0.0002349100000000, 0.0000377300000000 ] - [ 0.0003516800000000, 0.0003457000000000, -0.0004832900000000 ] - [ 0.0004700200000000, 0.0003953500000000, 0.0006682800000000 ] - [ 0.0015545600000000, 0.0082365300000000, -0.0060892900000000 ] - [ 0.0004711400000000, 0.0000605700000000, -0.0001818200000000 ] - [ 0.0003923200000000, 0.0003466200000000, -0.0003872100000000 ] - [ 0.0008488700000000, 0.0001233000000000, -0.0000935700000000 ] - [ 0.0004037700000000, -0.0000660000000000, -0.0006021900000000 ] - [ 0.0057932500000000, 0.0037786600000000, -0.0015997600000000 ] - [ 0.0003612000000000, 0.0000360000000000, -0.0000400300000000 ] - [ 0.0003620400000000, 0.0001911800000000, 0.0002681700000000 ] - [ 0.0003737100000000, 0.0001530700000000, 0.0000563700000000 ] - [ 0.0002086600000000, 0.0002241400000000, -0.0005788800000000 ] - [ 0.0007675500000000, -0.0011132400000000, -0.0003921300000000 ] - [ 0.0004680700000000, 0.0004343100000000, -0.0003716600000000 ] - [ 0.0013225900000000, 0.0043888300000000, 0.0080113800000000 ] - [ -0.0004434700000000, -0.0001401700000000, -0.0001706000000000 ] - [ -0.0001216100000000, -0.0015954400000000, -0.0001235400000000 ] - [ 0.0004989400000000, 0.0008074100000000, 0.0001789900000000 ] - [ -0.0003818500000000, -0.0005905400000000, 0.0006180400000000 ] - [ -0.0010299400000000, 0.0007358100000000, -0.0002207600000000 ] - [ -0.0004939600000000, 0.0000022800000000, 0.0002661600000000 ]- atom: 45 displacement: [ 0.0050000000104457, -0.0086602540318135, 0.0000000000000000 ] forces: - [ 0.0017537800000000, -0.0028597400000000, -0.0000231200000000 ] - [ 0.0012360000000000, 0.0004792300000000, -0.0012919600000000 ] - [ -0.0001303200000000, -0.0006317400000000, -0.0003812100000000 ] - [ -0.0011903800000000, 0.0003431300000000, -0.0006776300000000 ] - [ -0.0002760700000000, 0.0009227300000000, 0.0000436000000000 ] - [ -0.0006325500000000, -0.0001126600000000, 0.0000674600000000 ] - [ -0.0002398100000000, 0.0006494100000000, -0.0002484400000000 ] - [ -0.0002392600000000, 0.0004326500000000, 0.0000822000000000 ] - [ -0.0005344400000000, -0.0002687200000000, -0.0001137000000000 ] - [ -0.0003947900000000, 0.0008908100000000, -0.0001548300000000 ] - [ -0.0009738000000000, 0.0001180400000000, -0.0003515400000000 ] - [ -0.0001063900000000, -0.0003937900000000, 0.0000607100000000 ] - [ 0.0008512000000000, 0.0003264000000000, -0.0011259400000000 ] - [ 0.0010680500000000, -0.0013509100000000, -0.0001245800000000 ] - [ -0.0004581600000000, 0.0000880700000000, 0.0001385500000000 ] - [ -0.0000635100000000, 0.0019963400000000, -0.0001631200000000 ] - [ 0.0012313700000000, -0.0007950100000000, -0.0000901300000000 ] - [ 0.0004408200000000, 0.0003077200000000, 0.0002401400000000 ] - [ 0.0022961000000000, -0.0023472800000000, 0.0002904900000000 ] - [ 0.0003378600000000, 0.0015951200000000, 0.0002484700000000 ] - [ -0.0002059700000000, -0.0001096500000000, -0.0001417000000000 ] - [ -0.0012165700000000, -0.0034278300000000, 0.0032299800000000 ] - [ -0.0007168500000000, 0.0025465700000000, 0.0031194800000000 ] - [ 0.0116727600000000, -0.0173233200000000, -0.0012113000000000 ] - [ -0.0016343800000000, 0.0011962100000000, 0.0008663800000000 ] - [ -0.0076029100000000, -0.0023656800000000, 0.0016697200000000 ] - [ -0.0056899200000000, 0.0059168100000000, 0.0011041300000000 ] - [ -0.0051157200000000, 0.0053290400000000, 0.0006053200000000 ] - [ -0.0056589300000000, -0.0023096200000000, 0.0007812800000000 ] - [ -0.0019168300000000, 0.0007972300000000, 0.0008421200000000 ] - [ 0.0186291000000000, -0.0185299900000000, 0.0037327100000000 ] - [ -0.0023832500000000, 0.0032027700000000, 0.0049512300000000 ] - [ -0.0019925800000000, -0.0031194700000000, 0.0034987700000000 ] - [ -0.0000392000000000, 0.0000755100000000, 0.0002368300000000 ] - [ 0.0025331900000000, 0.0007891600000000, 0.0018536200000000 ] - [ 0.0009660300000000, 0.0022446200000000, 0.0003162900000000 ] - [ 0.0013202900000000, 0.0018639900000000, 0.0001055700000000 ] - [ 0.0022195800000000, -0.0000002600000000, 0.0010354500000000 ] - [ 0.0005028200000000, -0.0004073700000000, 0.0003532200000000 ] - [ 0.0036491400000000, 0.0047745700000000, -0.0058760200000000 ] - [ -0.0015381500000000, 0.0009137900000000, -0.0002708100000000 ] - [ -0.0004411500000000, 0.0002501300000000, -0.0005185800000000 ] - [ -0.0012357600000000, 0.0000807100000000, -0.0001602000000000 ] - [ -0.0012500500000000, 0.0001461800000000, -0.0006491600000000 ] - [ -0.0455914500000000, 0.0568916800000000, -0.0039968700000000 ] - [ -0.0003006400000000, -0.0002467900000000, -0.0001605000000000 ] - [ 0.0001320300000000, 0.0004425700000000, -0.0005384300000000 ] - [ 0.0006612900000000, 0.0010500600000000, -0.0000714100000000 ] - [ -0.0000648400000000, 0.0007692900000000, 0.0003176700000000 ] - [ 0.0018245200000000, -0.0055188000000000, 0.0088219400000000 ] - [ -0.0001394300000000, -0.0005716500000000, 0.0003689500000000 ] - [ -0.0003670400000000, -0.0009774800000000, 0.0003960100000000 ] - [ 0.0005901600000000, -0.0001651800000000, -0.0001545600000000 ] - [ 0.0125905300000000, 0.0003262400000000, -0.0005505100000000 ] - [ 0.0008136600000000, -0.0001731400000000, -0.0001581700000000 ] - [ 0.0050837600000000, -0.0078567200000000, 0.0014339500000000 ] - [ 0.0005282900000000, 0.0005172700000000, -0.0000896400000000 ] - [ 0.0008125900000000, 0.0000477600000000, 0.0001819400000000 ] - [ 0.0041832600000000, -0.0011182000000000, -0.0006593000000000 ] - [ 0.0006154100000000, -0.0002511900000000, 0.0002691400000000 ] - [ 0.0005314000000000, -0.0005610400000000, 0.0000192900000000 ] - [ 0.0003235300000000, -0.0020953300000000, -0.0002858300000000 ] - [ 0.0010626000000000, -0.0004178600000000, -0.0002394100000000 ] - [ 0.0004424500000000, -0.0000595100000000, -0.0003959200000000 ] - [ 0.0003588800000000, -0.0010766100000000, -0.0000714400000000 ] - [ 0.0005206500000000, -0.0014874700000000, -0.0003029200000000 ] - [ 0.0016493000000000, 0.0005646400000000, -0.0001311800000000 ] - [ 0.0008843800000000, -0.0009416600000000, -0.0000346500000000 ] - [ 0.0002274500000000, 0.0000307500000000, 0.0001157600000000 ] - [ -0.0000069100000000, -0.0002950800000000, 0.0000591500000000 ] - [ -0.0000627200000000, -0.0000720400000000, -0.0000739100000000 ] - [ -0.0000829300000000, -0.0000339700000000, 0.0000910800000000 ] - [ 0.0005718600000000, -0.0008030200000000, -0.0001631000000000 ] - [ 0.0015089600000000, 0.0006987800000000, -0.0001911300000000 ] - [ 0.0003124000000000, -0.0013194300000000, -0.0001583600000000 ] - [ 0.0003190600000000, -0.0008183500000000, -0.0001363000000000 ] - [ 0.0005976000000000, -0.0002292900000000, -0.0006724500000000 ] - [ 0.0007146600000000, -0.0000242600000000, -0.0000847600000000 ] - [ 0.0004736500000000, -0.0018144600000000, -0.0002387000000000 ] - [ 0.0004692600000000, -0.0003832900000000, 0.0004871200000000 ] - [ 0.0005891600000000, -0.0001234100000000, -0.0004385100000000 ] - [ 0.0004662700000000, 0.0000940700000000, 0.0004558100000000 ] - [ 0.0005836300000000, 0.0002667900000000, -0.0000103000000000 ] - [ 0.0057830100000000, -0.0073063400000000, 0.0003207700000000 ] - [ 0.0009195100000000, 0.0000300100000000, -0.0005897200000000 ] - [ 0.0088815600000000, 0.0038769300000000, 0.0004474200000000 ] - [ 0.0004993700000000, -0.0003272500000000, -0.0005550800000000 ] - [ -0.0004449000000000, -0.0007761300000000, 0.0004759500000000 ] - [ -0.0000140500000000, -0.0004969200000000, -0.0006796800000000 ] - [ 0.0010639800000000, 0.0000576500000000, -0.0004435100000000 ] - [ -0.0002191100000000, 0.0011383900000000, 0.0081092700000000 ] - [ -0.0000523100000000, 0.0006695100000000, -0.0005656400000000 ] - [ 0.0005732500000000, 0.0008183700000000, -0.0001625400000000 ] - [ 0.0005260700000000, 0.0007029000000000, -0.0009098800000000 ] - [ -0.0001344800000000, -0.0004954100000000, -0.0005162300000000 ] - [ -0.0109120100000000, 0.0077837600000000, -0.0036734400000000 ] - [ -0.0002664100000000, 0.0003311000000000, 0.0000034700000000 ] - [ -0.0010639000000000, -0.0000877500000000, -0.0005082800000000 ] - [ -0.0004155300000000, 0.0001530400000000, -0.0004397600000000 ] - [ -0.0014660300000000, 0.0010054300000000, -0.0002437600000000 ] - [ 0.0021098700000000, 0.0033551400000000, -0.0076636200000000 ] - [ 0.0006916200000000, -0.0002733500000000, -0.0006212100000000 ] - [ 0.0012010300000000, -0.0011308400000000, 0.0002705500000000 ] - [ 0.0007568400000000, 0.0004592300000000, -0.0002298200000000 ] - [ -0.0008952200000000, -0.0006153300000000, -0.0005313300000000 ] - [ 0.0001315300000000, 0.0007924500000000, 0.0001118200000000 ] - [ 0.0005282300000000, -0.0006998400000000, 0.0000146900000000 ] - [ 0.0040618300000000, -0.0062585500000000, -0.0070402900000000 ] - [ -0.0003064000000000, -0.0006183200000000, -0.0001628500000000 ] - [ -0.0000612000000000, 0.0010877200000000, 0.0000291000000000 ] - [ -0.0001377400000000, 0.0001878200000000, 0.0002402700000000 ] - [ 0.0000673800000000, -0.0003934200000000, -0.0002072300000000 ] - [ -0.0008271200000000, -0.0006383900000000, -0.0003929300000000 ] - [ -0.0014256000000000, -0.0082350500000000, 0.0060009300000000 ] - [ -0.0002947000000000, -0.0000402900000000, -0.0000729400000000 ] - [ -0.0007004400000000, 0.0000838600000000, -0.0003976000000000 ] - [ -0.0009312900000000, -0.0002940600000000, -0.0001633700000000 ] - [ -0.0006229700000000, -0.0004190100000000, -0.0001826800000000 ] - [ -0.0059315300000000, -0.0035075000000000, 0.0016483300000000 ] - [ -0.0006173600000000, -0.0003745700000000, -0.0006513000000000 ] - [ -0.0003637400000000, -0.0001946800000000, 0.0002160700000000 ] - [ 0.0000007000000000, -0.0003523100000000, 0.0002199100000000 ] - [ -0.0003845600000000, 0.0001516300000000, -0.0001003400000000 ] - [ -0.0002786100000000, 0.0013950500000000, 0.0003671800000000 ] - [ 0.0000537000000000, -0.0003871600000000, -0.0004133300000000 ] - [ -0.0013830400000000, -0.0044996500000000, -0.0082137800000000 ] - [ 0.0003599300000000, -0.0005960200000000, -0.0000826500000000 ] - [ 0.0004061800000000, 0.0015195600000000, 0.0001482800000000 ] - [ -0.0009982900000000, -0.0005228000000000, -0.0002178600000000 ] - [ 0.0003510600000000, 0.0006635800000000, -0.0007195400000000 ] - [ 0.0010558800000000, -0.0006146500000000, 0.0002210300000000 ] - [ 0.0004689000000000, -0.0002960900000000, -0.0004021000000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000848500000000, -0.0003608300000000, 0.0016116000000000 ] - [ 0.0002353700000000, 0.0006336500000000, -0.0002885700000000 ] - [ -0.0006157500000000, -0.0000097500000000, -0.0002918100000000 ] - [ -0.0005409400000000, 0.0004073200000000, 0.0000915200000000 ] - [ 0.0000547300000000, 0.0000173100000000, 0.0001631800000000 ] - [ -0.0000502800000000, 0.0000629200000000, 0.0001341700000000 ] - [ 0.0000945900000000, -0.0000613700000000, -0.0001438000000000 ] - [ -0.0000924800000000, -0.0000486600000000, 0.0000349600000000 ] - [ -0.0000778100000000, -0.0000445200000000, -0.0002565300000000 ] - [ -0.0000059300000000, 0.0000997500000000, -0.0003191700000000 ] - [ -0.0002470800000000, 0.0000724200000000, -0.0001323800000000 ] - [ -0.0000242100000000, -0.0000601600000000, -0.0000598400000000 ] - [ 0.0001381900000000, 0.0003059600000000, -0.0008106800000000 ] - [ 0.0000125000000000, -0.0001757000000000, -0.0014860600000000 ] - [ -0.0000517800000000, -0.0000674700000000, 0.0001756800000000 ] - [ 0.0000689800000000, 0.0002985900000000, 0.0001672100000000 ] - [ -0.0003871100000000, -0.0003372100000000, 0.0002683700000000 ] - [ -0.0000399200000000, -0.0000701600000000, 0.0004150200000000 ] - [ -0.0007513900000000, -0.0010886500000000, 0.0022706500000000 ] - [ -0.0000671800000000, -0.0000583000000000, 0.0002213800000000 ] - [ -0.0000295100000000, -0.0000126900000000, -0.0000990000000000 ] - [ 0.0005327300000000, 0.0008511700000000, -0.0041013600000000 ] - [ 0.0003694700000000, -0.0010749900000000, -0.0009151600000000 ] - [ -0.0008168000000000, 0.0105630900000000, 0.0174791500000000 ] - [ 0.0005801400000000, 0.0004502300000000, -0.0000543100000000 ] - [ -0.0002460900000000, -0.0003104100000000, 0.0015535500000000 ] - [ -0.0001400800000000, 0.0001235300000000, 0.0008807100000000 ] - [ -0.0015420400000000, 0.0011109700000000, 0.0009354400000000 ] - [ -0.0013036100000000, -0.0009734700000000, 0.0010370600000000 ] - [ 0.0004320500000000, 0.0003526300000000, 0.0006285700000000 ] - [ 0.0158113600000000, -0.0042914800000000, 0.0178866000000000 ] - [ 0.0017722700000000, -0.0019629000000000, 0.0000582600000000 ] - [ 0.0019619600000000, 0.0003701200000000, -0.0002556500000000 ] - [ -0.0005299400000000, 0.0002417800000000, 0.0003146400000000 ] - [ 0.0000646000000000, -0.0037102000000000, -0.0003247200000000 ] - [ 0.0004545200000000, 0.0004911400000000, 0.0000374900000000 ] - [ 0.0001497600000000, 0.0002878100000000, 0.0002359100000000 ] - [ 0.0001173100000000, -0.0010351000000000, 0.0000027400000000 ] - [ -0.0005848100000000, 0.0001819500000000, -0.0000930100000000 ] - [ -0.0037949700000000, 0.0005910600000000, -0.0019572800000000 ] - [ -0.0012742100000000, -0.0004997300000000, 0.0005102200000000 ] - [ 0.0004046200000000, 0.0001767900000000, 0.0005933400000000 ] - [ -0.0002784000000000, 0.0002396700000000, 0.0002117400000000 ] - [ 0.0009562700000000, 0.0027161300000000, 0.0010220100000000 ] - [ -0.0204460700000000, -0.0069179200000000, -0.0430299500000000 ] - [ -0.0001503500000000, 0.0001188900000000, 0.0001530200000000 ] - [ -0.0001033200000000, 0.0001872200000000, 0.0004486100000000 ] - [ 0.0002202400000000, 0.0000329300000000, 0.0002264500000000 ] - [ 0.0006203900000000, 0.0001302500000000, 0.0017654000000000 ] - [ 0.0026565300000000, -0.0067295700000000, -0.0012792600000000 ] - [ -0.0001285400000000, -0.0003098300000000, 0.0006455900000000 ] - [ 0.0001228600000000, -0.0001006500000000, -0.0000125300000000 ] - [ 0.0000057000000000, 0.0000639400000000, 0.0000786300000000 ] - [ 0.0003952500000000, -0.0007493000000000, -0.0024661100000000 ] - [ -0.0001289600000000, -0.0001005100000000, 0.0000157600000000 ] - [ -0.0009516100000000, 0.0010593000000000, -0.0012030900000000 ] - [ 0.0000409400000000, 0.0001754200000000, 0.0000347400000000 ] - [ 0.0000734700000000, -0.0002282800000000, -0.0006979800000000 ] - [ -0.0004702800000000, -0.0000324100000000, 0.0001698400000000 ] - [ 0.0002456100000000, -0.0001045700000000, 0.0003112500000000 ] - [ -0.0001086900000000, 0.0001196300000000, -0.0007071700000000 ] - [ 0.0002343900000000, 0.0000463800000000, -0.0001482100000000 ] - [ 0.0002308700000000, -0.0000929000000000, -0.0005184100000000 ] - [ 0.0000277100000000, -0.0001045800000000, -0.0004116800000000 ] - [ -0.0000518800000000, -0.0003630100000000, 0.0000348200000000 ] - [ 0.0000720900000000, 0.0002153100000000, 0.0001003800000000 ] - [ -0.0000027800000000, 0.0002244400000000, -0.0001494600000000 ] - [ -0.0002937700000000, 0.0001523800000000, -0.0007011400000000 ] - [ -0.0000409400000000, 0.0001145000000000, 0.0000078100000000 ] - [ -0.0000049300000000, -0.0001486100000000, 0.0001109100000000 ] - [ 0.0000686400000000, 0.0000237800000000, -0.0000367200000000 ] - [ -0.0000431800000000, -0.0001411400000000, 0.0001253800000000 ] - [ 0.0000758900000000, 0.0000970800000000, 0.0000827200000000 ] - [ -0.0000386400000000, 0.0002395900000000, -0.0001166900000000 ] - [ -0.0000832000000000, 0.0000265800000000, 0.0001965900000000 ] - [ 0.0000493600000000, -0.0002943200000000, -0.0000929400000000 ] - [ -0.0001082600000000, 0.0000644700000000, -0.0000017100000000 ] - [ 0.0001635800000000, 0.0000432800000000, -0.0001008100000000 ] - [ 0.0003218100000000, -0.0000406600000000, -0.0001124800000000 ] - [ 0.0001016600000000, 0.0001070200000000, 0.0003080300000000 ] - [ 0.0002451900000000, -0.0000346000000000, -0.0002930600000000 ] - [ -0.0000143500000000, -0.0000911100000000, 0.0002906100000000 ] - [ 0.0000644400000000, -0.0000455100000000, 0.0001590700000000 ] - [ 0.0020680100000000, -0.0028269500000000, 0.0001087700000000 ] - [ -0.0003941100000000, 0.0002392600000000, -0.0003936900000000 ] - [ 0.0030172000000000, 0.0012558200000000, 0.0000215800000000 ] - [ -0.0003357200000000, -0.0001108500000000, -0.0003862300000000 ] - [ -0.0001893300000000, -0.0000597200000000, 0.0002465200000000 ] - [ -0.0002016200000000, -0.0001497700000000, 0.0001117600000000 ] - [ -0.0003016900000000, 0.0001359100000000, 0.0000270100000000 ] - [ 0.0006348200000000, -0.0003269100000000, 0.0017661900000000 ] - [ -0.0001309200000000, 0.0002256000000000, 0.0002383700000000 ] - [ 0.0001032200000000, -0.0000061600000000, -0.0000542800000000 ] - [ -0.0004470800000000, 0.0003407100000000, -0.0002179900000000 ] - [ -0.0000866700000000, 0.0002710400000000, 0.0003225000000000 ] - [ 0.0082810100000000, 0.0087111800000000, 0.0056033700000000 ] - [ 0.0002746100000000, 0.0004232700000000, 0.0003826500000000 ] - [ -0.0006270400000000, 0.0009519200000000, 0.0002002600000000 ] - [ 0.0000206600000000, -0.0000220000000000, 0.0000457600000000 ] - [ 0.0004797900000000, -0.0000558400000000, 0.0017300200000000 ] - [ -0.0038135100000000, 0.0018420200000000, 0.0054911300000000 ] - [ -0.0000288400000000, -0.0000471800000000, 0.0000325100000000 ] - [ -0.0001869200000000, -0.0001292200000000, -0.0000884300000000 ] - [ -0.0002273000000000, 0.0001161500000000, -0.0006188300000000 ] - [ -0.0005580700000000, 0.0004501700000000, -0.0002781300000000 ] - [ 0.0000952100000000, 0.0001034200000000, -0.0000240500000000 ] - [ 0.0000145200000000, -0.0002658300000000, 0.0000162900000000 ] - [ -0.0026229400000000, 0.0010618700000000, -0.0022116100000000 ] - [ 0.0000337800000000, 0.0005035300000000, -0.0001649900000000 ] - [ 0.0001270400000000, -0.0001278800000000, -0.0002524400000000 ] - [ 0.0000329600000000, 0.0002685200000000, -0.0000655000000000 ] - [ 0.0001690100000000, -0.0000459000000000, -0.0003185500000000 ] - [ -0.0002082700000000, 0.0001376000000000, -0.0004642900000000 ] - [ 0.0002962200000000, -0.0048474100000000, 0.0011859800000000 ] - [ 0.0001064000000000, 0.0000175200000000, -0.0001362400000000 ] - [ -0.0000733000000000, 0.0002827300000000, -0.0003502700000000 ] - [ 0.0004399800000000, 0.0001644400000000, -0.0001183900000000 ] - [ -0.0002016200000000, -0.0003148300000000, -0.0002859700000000 ] - [ 0.0005898400000000, 0.0004753800000000, -0.0011397000000000 ] - [ -0.0000832000000000, -0.0000453600000000, -0.0002948400000000 ] - [ 0.0000353000000000, 0.0000557000000000, 0.0003465000000000 ] - [ 0.0002393800000000, -0.0000705300000000, 0.0000242300000000 ] - [ -0.0001205700000000, 0.0001577000000000, -0.0003386200000000 ] - [ -0.0000868700000000, -0.0001039800000000, 0.0003117700000000 ] - [ 0.0002991000000000, 0.0001063000000000, -0.0003678300000000 ] - [ -0.0001888900000000, 0.0004758000000000, 0.0006524400000000 ] - [ 0.0000667100000000, -0.0003501900000000, -0.0001510100000000 ] - [ 0.0002798800000000, -0.0000950700000000, -0.0002158500000000 ] - [ -0.0002088400000000, 0.0001956000000000, 0.0000545500000000 ] - [ -0.0003593000000000, 0.0000544000000000, -0.0002045500000000 ] - [ 0.0002100900000000, 0.0000273000000000, 0.0000377900000000 ] - [ 0.0000971100000000, -0.0000543800000000, -0.0003537000000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001583200000000, 0.0002901800000000, -0.0010408400000000 ] - [ -0.0002966400000000, -0.0007329600000000, -0.0000373400000000 ] - [ 0.0005544900000000, 0.0001148800000000, -0.0000343100000000 ] - [ 0.0005389300000000, -0.0004043100000000, 0.0005080600000000 ] - [ 0.0000537200000000, -0.0000428700000000, 0.0000939500000000 ] - [ 0.0000174800000000, 0.0000429500000000, 0.0001248400000000 ] - [ 0.0000276400000000, 0.0000584200000000, -0.0001844600000000 ] - [ 0.0000182300000000, -0.0000318900000000, 0.0001986700000000 ] - [ 0.0000149600000000, -0.0000646000000000, -0.0000739000000000 ] - [ -0.0000543500000000, 0.0000083700000000, -0.0000111600000000 ] - [ 0.0002466600000000, -0.0000721500000000, 0.0007172500000000 ] - [ 0.0001305700000000, 0.0000366000000000, 0.0002929200000000 ] - [ -0.0001699300000000, -0.0002038600000000, 0.0010417700000000 ] - [ 0.0001166400000000, 0.0001780400000000, 0.0011504100000000 ] - [ -0.0000195100000000, -0.0000120000000000, 0.0000622800000000 ] - [ -0.0001295600000000, -0.0004046700000000, -0.0005149200000000 ] - [ 0.0003256100000000, 0.0004434000000000, -0.0006171400000000 ] - [ 0.0000399600000000, 0.0000696200000000, 0.0001908100000000 ] - [ 0.0008706800000000, 0.0010823200000000, -0.0020217000000000 ] - [ 0.0000323400000000, 0.0001567900000000, 0.0000184700000000 ] - [ 0.0001537300000000, 0.0000130000000000, -0.0002500100000000 ] - [ -0.0018214300000000, -0.0003480300000000, 0.0046053100000000 ] - [ -0.0001665900000000, -0.0002728400000000, 0.0014221900000000 ] - [ 0.0016207800000000, -0.0097321800000000, -0.0163062400000000 ] - [ 0.0004867700000000, 0.0004017100000000, 0.0005721000000000 ] - [ 0.0007329100000000, -0.0008313100000000, -0.0004793800000000 ] - [ -0.0010646900000000, 0.0000331800000000, 0.0001997000000000 ] - [ 0.0002632900000000, -0.0006199100000000, -0.0003666000000000 ] - [ 0.0015101000000000, -0.0003739700000000, -0.0004666000000000 ] - [ 0.0003291300000000, 0.0006147000000000, 0.0004031100000000 ] - [ -0.0150636200000000, 0.0052958800000000, -0.0172539200000000 ] - [ -0.0012927300000000, 0.0008048300000000, 0.0009747000000000 ] - [ -0.0031556800000000, -0.0001993200000000, 0.0012961400000000 ] - [ -0.0007358700000000, 0.0002559800000000, 0.0002601600000000 ] - [ 0.0001313100000000, 0.0023424800000000, 0.0009026200000000 ] - [ 0.0002962200000000, 0.0004677700000000, 0.0010287700000000 ] - [ 0.0009077900000000, 0.0005589700000000, 0.0003398800000000 ] - [ 0.0003423800000000, -0.0000991600000000, 0.0010619100000000 ] - [ -0.0006263500000000, -0.0000204500000000, 0.0011562300000000 ] - [ 0.0038202700000000, -0.0006469500000000, 0.0016268100000000 ] - [ 0.0010788500000000, 0.0002203500000000, -0.0004940100000000 ] - [ -0.0001832900000000, 0.0000060600000000, -0.0006077600000000 ] - [ -0.0003122000000000, 0.0001928800000000, -0.0002734200000000 ] - [ -0.0011058900000000, -0.0027807300000000, -0.0009074900000000 ] - [ 0.0207987100000000, 0.0064934500000000, 0.0425630000000000 ] - [ -0.0001173200000000, -0.0000139600000000, -0.0001698000000000 ] - [ 0.0000000600000000, -0.0000415500000000, -0.0005810100000000 ] - [ 0.0004551600000000, 0.0002657900000000, -0.0002900600000000 ] - [ -0.0006485100000000, 0.0002309400000000, -0.0014530800000000 ] - [ -0.0021926400000000, 0.0066176100000000, 0.0003473800000000 ] - [ -0.0001680100000000, 0.0000879000000000, -0.0003396600000000 ] - [ 0.0000329200000000, 0.0000040500000000, 0.0001228400000000 ] - [ 0.0001845100000000, -0.0000518300000000, -0.0002101200000000 ] - [ -0.0008043200000000, 0.0012069800000000, 0.0016268900000000 ] - [ 0.0000448000000000, -0.0000681800000000, -0.0001480200000000 ] - [ 0.0007304400000000, -0.0015785500000000, 0.0003585400000000 ] - [ -0.0001944100000000, 0.0001134000000000, -0.0000205600000000 ] - [ -0.0003239900000000, -0.0001302400000000, -0.0002177300000000 ] - [ 0.0004552100000000, 0.0000365300000000, 0.0004952700000000 ] - [ 0.0000917400000000, -0.0000422800000000, -0.0000083400000000 ] - [ -0.0000799500000000, 0.0002755100000000, -0.0002065000000000 ] - [ 0.0002548900000000, 0.0002390900000000, 0.0000633000000000 ] - [ 0.0003355900000000, 0.0001862400000000, -0.0003162300000000 ] - [ -0.0000895000000000, 0.0000957800000000, 0.0001068000000000 ] - [ -0.0000297100000000, -0.0003701900000000, -0.0000975000000000 ] - [ 0.0002530600000000, -0.0002187300000000, -0.0000825200000000 ] - [ -0.0004897400000000, 0.0000607600000000, 0.0000621000000000 ] - [ 0.0003214000000000, -0.0000930100000000, 0.0003952300000000 ] - [ 0.0000437800000000, 0.0000661300000000, 0.0001035500000000 ] - [ 0.0000515000000000, -0.0001309400000000, -0.0001298000000000 ] - [ 0.0000243900000000, -0.0000009700000000, -0.0002905600000000 ] - [ -0.0001474700000000, -0.0001135200000000, 0.0000583500000000 ] - [ 0.0001903000000000, 0.0000278400000000, 0.0000076600000000 ] - [ -0.0005494500000000, 0.0001980500000000, -0.0000590100000000 ] - [ -0.0000499000000000, -0.0000684600000000, 0.0000118300000000 ] - [ -0.0000492100000000, -0.0002750200000000, -0.0001610700000000 ] - [ -0.0001361200000000, 0.0001131700000000, 0.0000952000000000 ] - [ -0.0002651000000000, 0.0000979800000000, -0.0000011500000000 ] - [ 0.0003515700000000, 0.0003299400000000, -0.0000652000000000 ] - [ -0.0001163500000000, 0.0003137500000000, 0.0000584300000000 ] - [ 0.0001640600000000, -0.0000368400000000, -0.0005923600000000 ] - [ -0.0003428300000000, -0.0001381700000000, 0.0000762200000000 ] - [ 0.0000375500000000, -0.0000493200000000, 0.0000483100000000 ] - [ -0.0018788400000000, 0.0028321300000000, -0.0002140600000000 ] - [ 0.0000484000000000, 0.0001989400000000, -0.0005020000000000 ] - [ -0.0030699200000000, -0.0014122000000000, -0.0001270900000000 ] - [ 0.0001243900000000, -0.0004010100000000, -0.0005107200000000 ] - [ 0.0000604500000000, 0.0003497100000000, -0.0000650800000000 ] - [ -0.0000694800000000, -0.0001661100000000, -0.0009923600000000 ] - [ 0.0002981800000000, -0.0001340900000000, 0.0003784400000000 ] - [ -0.0002695300000000, 0.0001365500000000, -0.0013729900000000 ] - [ -0.0000112700000000, 0.0001645900000000, -0.0011221200000000 ] - [ 0.0003867500000000, 0.0002877700000000, -0.0001981300000000 ] - [ 0.0009869900000000, -0.0002557000000000, -0.0006779600000000 ] - [ 0.0000622100000000, -0.0003644900000000, -0.0006466400000000 ] - [ -0.0085042300000000, -0.0095833400000000, -0.0058172700000000 ] - [ 0.0000417400000000, -0.0004545400000000, -0.0001998100000000 ] - [ 0.0001324600000000, -0.0006550400000000, -0.0004538800000000 ] - [ -0.0000848500000000, 0.0000905300000000, -0.0003705700000000 ] - [ -0.0004445400000000, 0.0001880800000000, -0.0015048000000000 ] - [ 0.0038403400000000, -0.0021869500000000, -0.0054762800000000 ] - [ 0.0000939800000000, 0.0000364300000000, -0.0001267100000000 ] - [ -0.0000550700000000, -0.0000742800000000, 0.0001085000000000 ] - [ 0.0004887100000000, 0.0000097700000000, 0.0004762500000000 ] - [ -0.0000362000000000, -0.0000143200000000, 0.0000225200000000 ] - [ -0.0002197800000000, -0.0001391400000000, 0.0000260400000000 ] - [ -0.0000176900000000, -0.0003054600000000, -0.0000520800000000 ] - [ 0.0023707600000000, -0.0008880100000000, 0.0020494300000000 ] - [ -0.0001366400000000, -0.0003566700000000, -0.0000941100000000 ] - [ 0.0005450900000000, 0.0004219400000000, -0.0000043700000000 ] - [ -0.0000475300000000, 0.0001546000000000, 0.0003416000000000 ] - [ 0.0002492800000000, 0.0000003400000000, -0.0003707500000000 ] - [ -0.0001509000000000, -0.0003673400000000, 0.0007358400000000 ] - [ -0.0002190300000000, 0.0047927600000000, -0.0011817500000000 ] - [ 0.0000734100000000, 0.0000039600000000, -0.0001209500000000 ] - [ -0.0002315200000000, 0.0001495900000000, -0.0004330600000000 ] - [ -0.0005062100000000, -0.0003259500000000, -0.0001393600000000 ] - [ -0.0000201500000000, -0.0001641900000000, -0.0004982900000000 ] - [ -0.0006400800000000, -0.0001590700000000, 0.0011504900000000 ] - [ -0.0001676300000000, -0.0002910400000000, -0.0003919400000000 ] - [ -0.0000346700000000, -0.0000540100000000, 0.0001408100000000 ] - [ 0.0001383900000000, -0.0001251000000000, 0.0002504700000000 ] - [ -0.0000477200000000, 0.0002258400000000, -0.0003478900000000 ] - [ 0.0005819000000000, 0.0003888300000000, -0.0003426200000000 ] - [ 0.0002279300000000, -0.0000509400000000, -0.0004155900000000 ] - [ 0.0001546300000000, -0.0005160600000000, -0.0007146000000000 ] - [ -0.0001471400000000, -0.0003837000000000, -0.0001024200000000 ] - [ 0.0000146000000000, -0.0000022700000000, 0.0002364700000000 ] - [ -0.0002811200000000, 0.0000950000000000, -0.0000895100000000 ] - [ 0.0003394500000000, 0.0000086200000000, 0.0001169500000000 ] - [ -0.0001808900000000, 0.0000964900000000, -0.0000360900000000 ] - [ -0.0001192800000000, -0.0002357500000000, 0.0002115000000000 ]- atom: 47 displacement: [ 0.0100000000000000, 0.0000000000065404, 0.0000000000000000 ] forces: - [ 0.0006052300000000, 0.0005865000000000, -0.0000910900000000 ] - [ -0.0004136500000000, -0.0003202500000000, -0.0011621000000000 ] - [ -0.0002950200000000, -0.0003796900000000, 0.0003163600000000 ] - [ 0.0007598700000000, 0.0008815700000000, 0.0015280400000000 ] - [ 0.0003430000000000, -0.0002352500000000, -0.0001543500000000 ] - [ -0.0004590900000000, 0.0000458900000000, 0.0003459300000000 ] - [ 0.0000447900000000, 0.0002244200000000, -0.0000111800000000 ] - [ -0.0002489200000000, -0.0006232200000000, 0.0001511400000000 ] - [ -0.0008057500000000, -0.0004599100000000, -0.0002198400000000 ] - [ 0.0003809200000000, 0.0002278300000000, -0.0001636300000000 ] - [ -0.0001864800000000, 0.0000856700000000, 0.0003103800000000 ] - [ -0.0005767900000000, 0.0000264300000000, 0.0001287900000000 ] - [ 0.0004296800000000, 0.0000991600000000, 0.0001533300000000 ] - [ -0.0023761900000000, 0.0016793500000000, 0.0003395900000000 ] - [ -0.0002453500000000, 0.0000567800000000, 0.0000143500000000 ] - [ 0.0000620100000000, -0.0000052100000000, -0.0002035100000000 ] - [ -0.0003846400000000, 0.0000921800000000, 0.0000139300000000 ] - [ -0.0001739300000000, -0.0002431400000000, 0.0002962400000000 ] - [ 0.0003512100000000, -0.0000935100000000, -0.0002058500000000 ] - [ -0.0000446600000000, -0.0003144100000000, 0.0004410100000000 ] - [ -0.0001509700000000, -0.0003009500000000, -0.0002658200000000 ] - [ 0.0159875000000000, 0.0124270300000000, 0.0018137100000000 ] - [ 0.0102154600000000, -0.0015829400000000, -0.0001415600000000 ] - [ 0.0032809200000000, 0.0032804700000000, 0.0026695900000000 ] - [ -0.0040967700000000, 0.0046651900000000, -0.0008729400000000 ] - [ -0.0002725100000000, -0.0000732000000000, -0.0013769100000000 ] - [ 0.0013186800000000, 0.0012432500000000, 0.0007082700000000 ] - [ -0.0005169300000000, -0.0001033500000000, 0.0004708300000000 ] - [ -0.0012189300000000, -0.0007374700000000, 0.0000911000000000 ] - [ -0.0004733000000000, -0.0002193800000000, 0.0006199000000000 ] - [ 0.0007529300000000, 0.0014738500000000, 0.0006781000000000 ] - [ 0.0005591000000000, -0.0002083900000000, 0.0005172700000000 ] - [ -0.0022191800000000, 0.0007723800000000, -0.0002527500000000 ] - [ -0.0020035700000000, -0.0000688300000000, 0.0000263700000000 ] - [ 0.0004730100000000, -0.0012550300000000, 0.0006120200000000 ] - [ -0.0005136000000000, 0.0003934400000000, 0.0004982500000000 ] - [ -0.0002171500000000, -0.0011371500000000, 0.0000887300000000 ] - [ -0.0031449700000000, -0.0032361700000000, 0.0012404800000000 ] - [ -0.0017616200000000, -0.0034765100000000, 0.0004185000000000 ] - [ 0.0000407600000000, -0.0001832400000000, -0.0000299200000000 ] - [ 0.0009912300000000, -0.0007295900000000, 0.0008108000000000 ] - [ -0.0001284300000000, 0.0004952400000000, -0.0003910200000000 ] - [ 0.0033995100000000, 0.0037059400000000, -0.0000824200000000 ] - [ -0.0003364200000000, 0.0002020800000000, 0.0000116400000000 ] - [ -0.0001938200000000, -0.0006074300000000, -0.0000950500000000 ] - [ 0.0001021300000000, 0.0007935400000000, 0.0005499200000000 ] - [ -0.0263496600000000, -0.0227827600000000, 0.0018594200000000 ] - [ 0.0024309400000000, 0.0029369000000000, -0.0007256300000000 ] - [ -0.0006566700000000, 0.0017121600000000, -0.0038170800000000 ] - [ -0.0002214200000000, -0.0002501700000000, -0.0003802800000000 ] - [ -0.0019370200000000, 0.0008491800000000, 0.0024609400000000 ] - [ 0.0003174400000000, 0.0003954000000000, 0.0000706000000000 ] - [ 0.0090064500000000, 0.0001644100000000, 0.0002445600000000 ] - [ -0.0011725000000000, -0.0001131900000000, -0.0003833700000000 ] - [ 0.0001854600000000, -0.0052164500000000, 0.0003178300000000 ] - [ -0.0007388600000000, -0.0002660400000000, -0.0005449700000000 ] - [ 0.0005009000000000, 0.0005239000000000, -0.0002412400000000 ] - [ -0.0000262700000000, -0.0002121700000000, -0.0005900300000000 ] - [ -0.0006484500000000, -0.0006054400000000, 0.0013115500000000 ] - [ 0.0005129800000000, -0.0004820500000000, -0.0004255000000000 ] - [ -0.0003076800000000, -0.0000106500000000, -0.0005588100000000 ] - [ 0.0000282800000000, 0.0001558700000000, -0.0000473500000000 ] - [ 0.0001462500000000, -0.0005713800000000, -0.0003595700000000 ] - [ 0.0001245600000000, 0.0000804100000000, -0.0001018200000000 ] - [ 0.0004139200000000, -0.0011408200000000, -0.0001192400000000 ] - [ 0.0000166000000000, -0.0000918500000000, -0.0000040400000000 ] - [ 0.0002576300000000, 0.0001839800000000, -0.0000134900000000 ] - [ -0.0000477400000000, 0.0000302400000000, -0.0001893200000000 ] - [ 0.0004149100000000, -0.0000233600000000, 0.0001002500000000 ] - [ 0.0003466900000000, -0.0000565000000000, -0.0002226900000000 ] - [ 0.0004238400000000, 0.0005481600000000, -0.0006585900000000 ] - [ 0.0002623600000000, 0.0002705000000000, 0.0002291600000000 ] - [ -0.0018870800000000, 0.0003489100000000, -0.0023982000000000 ] - [ 0.0002933200000000, 0.0003308100000000, 0.0000891900000000 ] - [ -0.0009679800000000, 0.0029127600000000, 0.0012590100000000 ] - [ 0.0000497800000000, 0.0000369700000000, -0.0000408200000000 ] - [ 0.0002273000000000, 0.0000352400000000, 0.0007682100000000 ] - [ 0.0000919300000000, 0.0002990900000000, -0.0000475100000000 ] - [ 0.0001526200000000, 0.0000745000000000, -0.0001246200000000 ] - [ -0.0000601200000000, 0.0002978400000000, 0.0000863700000000 ] - [ 0.0003862000000000, 0.0001401400000000, -0.0004801500000000 ] - [ 0.0001097400000000, -0.0001070700000000, 0.0002464900000000 ] - [ 0.0009739000000000, 0.0000387500000000, -0.0000418200000000 ] - [ 0.0001324600000000, -0.0000857300000000, -0.0000605400000000 ] - [ -0.0001148400000000, 0.0003374300000000, -0.0004087500000000 ] - [ 0.0003457600000000, -0.0000934100000000, -0.0000941700000000 ] - [ 0.0003241100000000, -0.0004160900000000, -0.0004752800000000 ] - [ -0.0001445900000000, 0.0000787900000000, 0.0001249700000000 ] - [ -0.0002179200000000, -0.0002176000000000, -0.0004575600000000 ] - [ 0.0001349700000000, -0.0001225200000000, 0.0002237800000000 ] - [ 0.0001997100000000, -0.0005543000000000, -0.0001654900000000 ] - [ 0.0004394200000000, 0.0000121100000000, -0.0001350500000000 ] - [ 0.0005846700000000, 0.0002163500000000, -0.0001404200000000 ] - [ 0.0002556200000000, -0.0003334700000000, -0.0003760700000000 ] - [ -0.0000214200000000, -0.0000150300000000, -0.0001919600000000 ] - [ -0.0000386200000000, -0.0009389600000000, -0.0006349300000000 ] - [ 0.0008784500000000, 0.0003056300000000, -0.0001275300000000 ] - [ -0.0005100000000000, 0.0000726700000000, -0.0001512100000000 ] - [ 0.0006322200000000, 0.0000958300000000, 0.0003544000000000 ] - [ -0.0047878000000000, -0.0026251300000000, -0.0008805500000000 ] - [ -0.0031856900000000, -0.0022271900000000, 0.0014389600000000 ] - [ -0.0003526300000000, -0.0005886900000000, 0.0008821400000000 ] - [ -0.0002785900000000, -0.0001525200000000, 0.0000031500000000 ] - [ 0.0004790500000000, 0.0000167500000000, 0.0002338000000000 ] - [ -0.0004880100000000, 0.0001545800000000, -0.0001333000000000 ] - [ 0.0002126600000000, -0.0001296300000000, -0.0000206300000000 ] - [ 0.0007563400000000, -0.0007366000000000, 0.0001971300000000 ] - [ -0.0001792600000000, -0.0000569800000000, -0.0001751600000000 ] - [ 0.0000910400000000, 0.0003459800000000, -0.0001370200000000 ] - [ 0.0006891600000000, 0.0002553100000000, -0.0000976300000000 ] - [ 0.0001640100000000, 0.0002691400000000, 0.0001565200000000 ] - [ 0.0002964300000000, -0.0000176300000000, -0.0002742800000000 ] - [ -0.0002069400000000, -0.0000199900000000, 0.0001222900000000 ] - [ -0.0003495800000000, -0.0002919400000000, 0.0001206800000000 ] - [ 0.0002507100000000, 0.0001501600000000, -0.0000746200000000 ] - [ 0.0007956300000000, 0.0004211300000000, -0.0004340400000000 ] - [ 0.0002461800000000, 0.0001517300000000, -0.0001568500000000 ] - [ -0.0003206000000000, 0.0002164500000000, -0.0004037200000000 ] - [ -0.0001533000000000, -0.0000761000000000, -0.0001622300000000 ] - [ 0.0001323100000000, 0.0000381000000000, -0.0007219800000000 ] - [ 0.0003741700000000, 0.0005832800000000, 0.0002404500000000 ] - [ 0.0002943800000000, 0.0000998800000000, 0.0001771000000000 ] - [ 0.0000553700000000, 0.0005184500000000, -0.0000766700000000 ] - [ -0.0001723700000000, 0.0044217200000000, 0.0014481100000000 ] - [ 0.0007192300000000, 0.0012363100000000, -0.0003811200000000 ] - [ 0.0002844600000000, 0.0012125600000000, -0.0068016900000000 ] - [ 0.0000552100000000, -0.0000229100000000, -0.0000857800000000 ] - [ 0.0001912900000000, 0.0001853000000000, 0.0001454300000000 ] - [ 0.0008091700000000, 0.0008946900000000, -0.0003907000000000 ] - [ 0.0013721500000000, -0.0001694100000000, 0.0025398900000000 ] - [ -0.0000248700000000, 0.0003034600000000, -0.0000910500000000 ] - [ 0.0000587800000000, -0.0000021600000000, -0.0001629000000000 ]- atom: 47 displacement: [ -0.0100000000000000, -0.0000000000065404, 0.0000000000000000 ] forces: - [ -0.0006802600000000, -0.0006708800000000, 0.0003525800000000 ] - [ 0.0003509600000000, 0.0002206100000000, 0.0008370600000000 ] - [ 0.0002368300000000, 0.0004827200000000, -0.0006453200000000 ] - [ -0.0007490700000000, -0.0008780300000000, -0.0009311200000000 ] - [ -0.0002332800000000, 0.0002114300000000, 0.0004084700000000 ] - [ 0.0004220700000000, 0.0000574400000000, -0.0000842000000000 ] - [ 0.0000779200000000, -0.0002226900000000, -0.0003178400000000 ] - [ 0.0001763500000000, 0.0005364500000000, 0.0000849400000000 ] - [ 0.0007444500000000, 0.0003450000000000, -0.0001111700000000 ] - [ -0.0004395000000000, -0.0001215900000000, -0.0001664100000000 ] - [ 0.0001876200000000, -0.0000880900000000, 0.0002833000000000 ] - [ 0.0006833900000000, -0.0000452100000000, 0.0001063500000000 ] - [ -0.0004670800000000, 0.0000007800000000, 0.0000837200000000 ] - [ 0.0024935300000000, -0.0016778700000000, -0.0006733100000000 ] - [ 0.0001775400000000, -0.0001369100000000, 0.0002246800000000 ] - [ -0.0001201000000000, -0.0001028800000000, -0.0001461500000000 ] - [ 0.0003222200000000, 0.0000140700000000, -0.0003641700000000 ] - [ 0.0001735900000000, 0.0002430700000000, 0.0003158300000000 ] - [ -0.0002469800000000, 0.0000760700000000, 0.0004457600000000 ] - [ 0.0000056800000000, 0.0004136500000000, -0.0001972900000000 ] - [ 0.0002745100000000, 0.0003024500000000, -0.0000840500000000 ] - [ -0.0173022400000000, -0.0116671500000000, -0.0012880300000000 ] - [ -0.0100004100000000, 0.0004008900000000, 0.0006096200000000 ] - [ -0.0025439700000000, -0.0023040600000000, -0.0015641700000000 ] - [ 0.0051572100000000, -0.0037749700000000, 0.0013604900000000 ] - [ 0.0007561000000000, -0.0010621000000000, 0.0024651400000000 ] - [ -0.0025170300000000, -0.0010865900000000, 0.0003923300000000 ] - [ -0.0007601600000000, 0.0005925100000000, 0.0000708100000000 ] - [ 0.0014264800000000, -0.0006197300000000, 0.0004482600000000 ] - [ 0.0012204100000000, 0.0011826200000000, 0.0004247700000000 ] - [ 0.0003098900000000, -0.0006152000000000, -0.0001421600000000 ] - [ -0.0000805400000000, -0.0009349400000000, 0.0005272900000000 ] - [ 0.0010180300000000, -0.0006206100000000, 0.0013078800000000 ] - [ 0.0007325800000000, 0.0005776900000000, 0.0005228100000000 ] - [ -0.0002777400000000, -0.0000957100000000, -0.0000625700000000 ] - [ 0.0012514900000000, 0.0005750000000000, 0.0005854000000000 ] - [ 0.0012802700000000, 0.0019857700000000, 0.0004585600000000 ] - [ 0.0036081500000000, 0.0021324400000000, -0.0001672400000000 ] - [ 0.0005548300000000, 0.0036319400000000, 0.0006679400000000 ] - [ -0.0000025000000000, 0.0001277600000000, -0.0002734700000000 ] - [ -0.0011772300000000, 0.0004577000000000, -0.0008040000000000 ] - [ 0.0003462700000000, -0.0003139700000000, 0.0003766300000000 ] - [ -0.0040203700000000, -0.0033366800000000, 0.0000230400000000 ] - [ 0.0001736500000000, -0.0002939900000000, 0.0000986200000000 ] - [ 0.0002010500000000, 0.0000376900000000, 0.0000099500000000 ] - [ -0.0003667500000000, -0.0006927100000000, -0.0005649800000000 ] - [ 0.0260663800000000, 0.0225170000000000, -0.0020155100000000 ] - [ -0.0017656200000000, -0.0026525400000000, 0.0006664200000000 ] - [ 0.0006045600000000, -0.0013464400000000, 0.0041156500000000 ] - [ 0.0006565200000000, 0.0002175700000000, -0.0005354300000000 ] - [ 0.0016503600000000, -0.0010559500000000, -0.0021269600000000 ] - [ -0.0001547700000000, -0.0004906400000000, 0.0000391000000000 ] - [ -0.0086285900000000, -0.0000997100000000, -0.0003656100000000 ] - [ 0.0008100500000000, 0.0005633600000000, -0.0004513600000000 ] - [ -0.0002531900000000, 0.0049732900000000, -0.0004430600000000 ] - [ 0.0005282800000000, -0.0002721000000000, -0.0002907200000000 ] - [ -0.0006550600000000, -0.0002348100000000, 0.0002532600000000 ] - [ -0.0002220900000000, -0.0001454600000000, -0.0003243400000000 ] - [ 0.0006435400000000, 0.0006040800000000, -0.0006537500000000 ] - [ -0.0001729900000000, 0.0003319100000000, 0.0007236300000000 ] - [ 0.0001177100000000, 0.0004028500000000, -0.0003545500000000 ] - [ 0.0004582500000000, 0.0001327900000000, -0.0000348200000000 ] - [ 0.0004218400000000, 0.0006612500000000, -0.0004748900000000 ] - [ -0.0001894500000000, -0.0000884800000000, -0.0001988100000000 ] - [ -0.0004912700000000, 0.0003996600000000, 0.0000557700000000 ] - [ 0.0003066000000000, 0.0000903000000000, 0.0000209700000000 ] - [ -0.0007511800000000, 0.0000976100000000, -0.0000706300000000 ] - [ 0.0000766100000000, 0.0000325500000000, -0.0001117700000000 ] - [ -0.0004147700000000, 0.0002072700000000, 0.0000093800000000 ] - [ -0.0002991800000000, -0.0002225500000000, 0.0002066700000000 ] - [ -0.0003282500000000, -0.0005276800000000, 0.0003331600000000 ] - [ -0.0004518600000000, -0.0005237800000000, -0.0000479500000000 ] - [ 0.0021367500000000, -0.0002223400000000, 0.0024713400000000 ] - [ -0.0008854100000000, 0.0001081900000000, -0.0002652000000000 ] - [ 0.0008147800000000, -0.0029273500000000, -0.0010393300000000 ] - [ -0.0000449100000000, -0.0006040100000000, -0.0002097300000000 ] - [ -0.0004694000000000, 0.0001402000000000, -0.0006684200000000 ] - [ -0.0001949600000000, -0.0001549100000000, -0.0000474200000000 ] - [ 0.0005220400000000, 0.0002196200000000, -0.0000543100000000 ] - [ 0.0000431500000000, 0.0001289600000000, 0.0002770000000000 ] - [ 0.0000213300000000, -0.0002079900000000, -0.0004082700000000 ] - [ -0.0004698900000000, -0.0001243300000000, 0.0001197600000000 ] - [ -0.0008626000000000, -0.0001340800000000, 0.0002467200000000 ] - [ 0.0000438800000000, 0.0001091500000000, -0.0000327100000000 ] - [ -0.0002300800000000, 0.0001045600000000, -0.0004872900000000 ] - [ -0.0004147600000000, -0.0000681900000000, 0.0000011600000000 ] - [ -0.0005368100000000, -0.0000957400000000, -0.0004231300000000 ] - [ 0.0000139800000000, 0.0002087500000000, 0.0000547100000000 ] - [ -0.0000500800000000, -0.0000969800000000, -0.0004281600000000 ] - [ -0.0001369300000000, 0.0001260500000000, 0.0001807100000000 ] - [ 0.0001787300000000, 0.0003631000000000, 0.0005350000000000 ] - [ -0.0005847400000000, 0.0003774200000000, -0.0007579700000000 ] - [ -0.0000962600000000, 0.0000684100000000, -0.0001106400000000 ] - [ 0.0002953800000000, 0.0004192400000000, -0.0005216500000000 ] - [ -0.0000056200000000, -0.0000831100000000, -0.0001338600000000 ] - [ -0.0000437500000000, 0.0002038200000000, 0.0004628000000000 ] - [ -0.0005660200000000, -0.0003421700000000, 0.0003097900000000 ] - [ 0.0000174300000000, 0.0002112900000000, -0.0001010200000000 ] - [ -0.0006971100000000, -0.0000250900000000, -0.0006782100000000 ] - [ 0.0048247300000000, 0.0027809300000000, 0.0010855800000000 ] - [ 0.0031676600000000, 0.0019183800000000, -0.0013643000000000 ] - [ 0.0004180000000000, 0.0005732100000000, -0.0009716800000000 ] - [ 0.0000380700000000, -0.0000513200000000, 0.0000159000000000 ] - [ -0.0002184800000000, 0.0001091900000000, -0.0003710800000000 ] - [ -0.0001091800000000, 0.0002790600000000, -0.0001208100000000 ] - [ -0.0003393900000000, 0.0000885600000000, 0.0000212600000000 ] - [ -0.0007532600000000, 0.0001627200000000, -0.0002299700000000 ] - [ -0.0000622100000000, 0.0002264800000000, 0.0000387900000000 ] - [ -0.0001958200000000, -0.0002039300000000, -0.0001149200000000 ] - [ -0.0000148500000000, 0.0000430600000000, -0.0001586700000000 ] - [ -0.0001796400000000, 0.0001571000000000, 0.0001194700000000 ] - [ 0.0001201900000000, -0.0000267900000000, -0.0004179600000000 ] - [ -0.0001550000000000, -0.0002129400000000, 0.0001542100000000 ] - [ 0.0004479700000000, 0.0002023800000000, -0.0001210300000000 ] - [ -0.0000693200000000, -0.0001293900000000, -0.0001756100000000 ] - [ -0.0011018900000000, 0.0000119600000000, -0.0003503700000000 ] - [ -0.0003146900000000, -0.0003155800000000, -0.0000936800000000 ] - [ 0.0000985400000000, -0.0006985000000000, -0.0003820400000000 ] - [ 0.0000912300000000, 0.0003792900000000, 0.0001799700000000 ] - [ -0.0003791100000000, -0.0003753900000000, 0.0000325100000000 ] - [ -0.0003734900000000, -0.0005833300000000, 0.0002440700000000 ] - [ 0.0000874400000000, -0.0002961400000000, 0.0000979400000000 ] - [ -0.0002230200000000, -0.0001356900000000, -0.0006161900000000 ] - [ 0.0006691200000000, -0.0041321100000000, -0.0014776400000000 ] - [ -0.0001882200000000, -0.0011825300000000, -0.0004030700000000 ] - [ -0.0003022000000000, -0.0013022000000000, 0.0067333000000000 ] - [ -0.0001336500000000, -0.0007135900000000, -0.0001673300000000 ] - [ 0.0001036800000000, -0.0002777600000000, -0.0001245000000000 ] - [ -0.0012593700000000, -0.0005948300000000, 0.0003436100000000 ] - [ -0.0014010400000000, 0.0002424300000000, -0.0026397100000000 ] - [ 0.0000491400000000, -0.0001741500000000, 0.0000893000000000 ] - [ -0.0000803300000000, -0.0002856300000000, 0.0000245600000000 ]- atom: 47 displacement: [ -0.0050000000104457, 0.0086602540318135, 0.0000000000000000 ] forces: - [ 0.0009395000000000, -0.0002562200000000, 0.0019631500000000 ] - [ -0.0008645500000000, 0.0010173600000000, -0.0008431400000000 ] - [ -0.0009139100000000, -0.0004310100000000, 0.0006825500000000 ] - [ 0.0003891200000000, 0.0026118700000000, -0.0006143800000000 ] - [ 0.0003464500000000, -0.0010541300000000, -0.0010135100000000 ] - [ -0.0000966600000000, 0.0003886500000000, 0.0000504000000000 ] - [ 0.0005351900000000, -0.0001842400000000, -0.0003155500000000 ] - [ -0.0008024200000000, -0.0016263600000000, 0.0002049600000000 ] - [ -0.0009748700000000, 0.0001063600000000, -0.0001564700000000 ] - [ 0.0012374900000000, -0.0011237700000000, -0.0000563500000000 ] - [ 0.0003517400000000, -0.0004019600000000, 0.0002825000000000 ] - [ 0.0001142000000000, 0.0002745800000000, 0.0000969600000000 ] - [ 0.0010250000000000, -0.0015362500000000, -0.0000772400000000 ] - [ 0.0030315100000000, 0.0017636500000000, -0.0006510100000000 ] - [ 0.0001448500000000, 0.0001258900000000, 0.0001824000000000 ] - [ 0.0003670600000000, -0.0005629900000000, -0.0001706800000000 ] - [ -0.0001244100000000, 0.0004535900000000, -0.0000769300000000 ] - [ -0.0002412600000000, -0.0004390100000000, 0.0003167900000000 ] - [ 0.0000504600000000, -0.0005104700000000, -0.0006396900000000 ] - [ -0.0004621300000000, -0.0001409500000000, 0.0009071400000000 ] - [ -0.0004220400000000, -0.0004811600000000, -0.0003012700000000 ] - [ -0.0026207500000000, 0.0190385700000000, 0.0009991400000000 ] - [ -0.0011318400000000, 0.0278511700000000, -0.0017185600000000 ] - [ 0.0013947300000000, 0.0087583600000000, -0.0006818600000000 ] - [ 0.0064321200000000, 0.0058748800000000, 0.0010309200000000 ] - [ -0.0016758400000000, 0.0031392000000000, -0.0014363300000000 ] - [ 0.0021612300000000, 0.0012424300000000, 0.0037192600000000 ] - [ -0.0000084500000000, -0.0022361600000000, 0.0010938700000000 ] - [ -0.0001649200000000, -0.0006795800000000, 0.0002104000000000 ] - [ -0.0003132000000000, -0.0012709300000000, 0.0005195500000000 ] - [ 0.0024955900000000, -0.0000024600000000, -0.0009187200000000 ] - [ 0.0022279600000000, -0.0029215200000000, 0.0005793200000000 ] - [ 0.0007856200000000, 0.0006015200000000, 0.0010177400000000 ] - [ -0.0010814500000000, 0.0003664000000000, -0.0000925700000000 ] - [ 0.0006377800000000, -0.0033485600000000, 0.0010445500000000 ] - [ 0.0011660700000000, -0.0015389600000000, 0.0005639600000000 ] - [ -0.0016235100000000, -0.0020563900000000, -0.0000289800000000 ] - [ -0.0056545300000000, -0.0010459900000000, 0.0006662900000000 ] - [ -0.0036736200000000, -0.0066323100000000, 0.0000737900000000 ] - [ -0.0002637300000000, -0.0002007800000000, 0.0000064200000000 ] - [ -0.0010035000000000, -0.0006374200000000, -0.0005393200000000 ] - [ -0.0000222600000000, 0.0011404800000000, -0.0006612400000000 ] - [ 0.0057764100000000, -0.0014729300000000, 0.0009757200000000 ] - [ -0.0002558200000000, 0.0009344800000000, -0.0000492400000000 ] - [ -0.0003161700000000, -0.0007225500000000, 0.0000817100000000 ] - [ 0.0005980700000000, 0.0008247800000000, 0.0007348600000000 ] - [ -0.0066228400000000, -0.0762164300000000, -0.0008704200000000 ] - [ 0.0049078600000000, 0.0061271900000000, -0.0017051400000000 ] - [ 0.0026062700000000, 0.0009634300000000, -0.0069798000000000 ] - [ 0.0002454200000000, -0.0009421700000000, -0.0006257900000000 ] - [ 0.0008583300000000, 0.0020468600000000, 0.0086456500000000 ] - [ 0.0009219200000000, 0.0006434200000000, 0.0001273400000000 ] - [ 0.0032010100000000, -0.0067720400000000, -0.0004536400000000 ] - [ -0.0002021600000000, -0.0006204600000000, -0.0001884200000000 ] - [ -0.0118977200000000, 0.0031514500000000, -0.0001669600000000 ] - [ 0.0004164900000000, -0.0015453500000000, -0.0005912600000000 ] - [ 0.0006714700000000, 0.0004399700000000, -0.0002356000000000 ] - [ 0.0000574600000000, -0.0006639700000000, -0.0003621400000000 ] - [ -0.0002058100000000, -0.0018911000000000, -0.0004000000000000 ] - [ -0.0003754700000000, -0.0006527100000000, 0.0005527900000000 ] - [ -0.0004053200000000, 0.0000568600000000, -0.0003096900000000 ] - [ 0.0001682700000000, 0.0007631400000000, -0.0001302500000000 ] - [ -0.0001626000000000, -0.0014662100000000, -0.0004569600000000 ] - [ 0.0000735100000000, 0.0001674600000000, -0.0000348400000000 ] - [ -0.0010085300000000, -0.0000337500000000, -0.0001049400000000 ] - [ -0.0004092700000000, 0.0010986700000000, 0.0004092400000000 ] - [ 0.0001011600000000, -0.0000640500000000, 0.0000146100000000 ] - [ -0.0003872900000000, 0.0004348100000000, -0.0005172200000000 ] - [ -0.0000976700000000, 0.0000055500000000, 0.0000703100000000 ] - [ -0.0000193300000000, -0.0000294500000000, 0.0000178500000000 ] - [ 0.0008944700000000, 0.0009764600000000, -0.0011159400000000 ] - [ 0.0009550300000000, 0.0004124600000000, 0.0003885500000000 ] - [ -0.0036529400000000, 0.0012350900000000, -0.0063884800000000 ] - [ 0.0002997000000000, 0.0001715000000000, 0.0000711400000000 ] - [ -0.0029827000000000, 0.0079959900000000, 0.0031727500000000 ] - [ 0.0003511800000000, 0.0004547900000000, 0.0002023100000000 ] - [ 0.0001634600000000, -0.0010759500000000, -0.0008099900000000 ] - [ 0.0001144700000000, 0.0007680700000000, -0.0000504000000000 ] - [ 0.0000853700000000, 0.0008760500000000, -0.0004123700000000 ] - [ -0.0001563500000000, 0.0008455500000000, -0.0002126100000000 ] - [ 0.0003240300000000, 0.0003691500000000, -0.0003779600000000 ] - [ -0.0001030600000000, -0.0001553800000000, 0.0002143100000000 ] - [ -0.0004147800000000, -0.0009729100000000, 0.0003282300000000 ] - [ -0.0007292900000000, 0.0008770600000000, -0.0000302200000000 ] - [ -0.0004051200000000, 0.0007616000000000, -0.0002751900000000 ] - [ -0.0005078500000000, -0.0001698700000000, -0.0000161200000000 ] - [ -0.0002829200000000, -0.0000603900000000, -0.0004684400000000 ] - [ -0.0004957100000000, 0.0006868100000000, 0.0000693000000000 ] - [ -0.0006088000000000, 0.0003495600000000, -0.0005184300000000 ] - [ -0.0002138300000000, 0.0002775800000000, 0.0001839600000000 ] - [ -0.0004693000000000, 0.0001550200000000, 0.0009177300000000 ] - [ -0.0005023500000000, 0.0001309300000000, -0.0006574400000000 ] - [ 0.0001255000000000, -0.0002309200000000, -0.0001093600000000 ] - [ -0.0002488300000000, 0.0003894000000000, -0.0006961000000000 ] - [ -0.0002166400000000, 0.0005794900000000, 0.0002118600000000 ] - [ -0.0002836900000000, -0.0010110400000000, 0.0004023300000000 ] - [ 0.0004667200000000, -0.0012782500000000, -0.0001559100000000 ] - [ -0.0008707600000000, 0.0008529800000000, -0.0005765500000000 ] - [ 0.0006132300000000, -0.0002139100000000, 0.0005056700000000 ] - [ -0.0049399800000000, 0.0076480600000000, -0.0014163100000000 ] - [ -0.0021164600000000, -0.0007095300000000, 0.0100735300000000 ] - [ -0.0008193900000000, -0.0002807600000000, -0.0004761000000000 ] - [ -0.0008930900000000, 0.0001794700000000, -0.0001810000000000 ] - [ 0.0000270700000000, -0.0000213900000000, -0.0001325800000000 ] - [ -0.0008272800000000, 0.0005633600000000, -0.0002245200000000 ] - [ -0.0000290100000000, -0.0002892100000000, -0.0000686800000000 ] - [ -0.0005224000000000, -0.0000488100000000, -0.0001484400000000 ] - [ -0.0004680800000000, 0.0004723300000000, 0.0002109500000000 ] - [ 0.0000728700000000, 0.0007473800000000, -0.0001453700000000 ] - [ 0.0003526300000000, -0.0003156300000000, -0.0001720500000000 ] - [ 0.0000239300000000, 0.0002157400000000, 0.0001386100000000 ] - [ 0.0001221500000000, 0.0002026400000000, -0.0003542700000000 ] - [ -0.0002443300000000, 0.0002549200000000, 0.0000445500000000 ] - [ -0.0005452300000000, 0.0001367600000000, 0.0004256900000000 ] - [ 0.0004025500000000, 0.0000377000000000, -0.0000509900000000 ] - [ 0.0006179700000000, 0.0003476000000000, -0.0004614000000000 ] - [ 0.0007393900000000, 0.0004163200000000, -0.0001950100000000 ] - [ -0.0006358200000000, 0.0010856500000000, -0.0004351200000000 ] - [ -0.0003533800000000, -0.0007531200000000, -0.0000306900000000 ] - [ 0.0005000400000000, -0.0001860400000000, -0.0008552100000000 ] - [ 0.0003673000000000, 0.0009917300000000, 0.0002556000000000 ] - [ 0.0004704700000000, 0.0002140500000000, 0.0001834800000000 ] - [ 0.0003029100000000, 0.0008323600000000, 0.0001337300000000 ] - [ 0.0003335800000000, 0.0066578600000000, 0.0019540200000000 ] - [ 0.0014158400000000, 0.0019604400000000, -0.0002707200000000 ] - [ 0.0027864200000000, -0.0052425400000000, -0.0069065300000000 ] - [ 0.0002112000000000, 0.0001729300000000, -0.0000494500000000 ] - [ 0.0005300900000000, -0.0002038300000000, 0.0001399200000000 ] - [ 0.0076236100000000, 0.0034762800000000, -0.0026799300000000 ] - [ 0.0042025500000000, -0.0015102200000000, 0.0059084100000000 ] - [ -0.0000330200000000, 0.0006567700000000, -0.0003181900000000 ] - [ 0.0001451900000000, 0.0002935200000000, -0.0003586300000000 ]- atom: 47 displacement: [ 0.0050000000104457, -0.0086602540318135, 0.0000000000000000 ] forces: - [ -0.0010198400000000, 0.0001844700000000, -0.0017057100000000 ] - [ 0.0007995100000000, -0.0011301900000000, 0.0005114700000000 ] - [ 0.0008595800000000, 0.0005404400000000, -0.0010119900000000 ] - [ -0.0003716600000000, -0.0026288100000000, 0.0011825900000000 ] - [ -0.0002398900000000, 0.0010310700000000, 0.0012766500000000 ] - [ 0.0000652300000000, -0.0002834900000000, 0.0002070800000000 ] - [ -0.0004146900000000, 0.0001804700000000, -0.0000127600000000 ] - [ 0.0007322000000000, 0.0015544600000000, 0.0000286300000000 ] - [ 0.0009150900000000, -0.0002120000000000, -0.0001727800000000 ] - [ -0.0013056300000000, 0.0012375200000000, -0.0002740300000000 ] - [ -0.0003522600000000, 0.0004045800000000, 0.0003052300000000 ] - [ -0.0000079300000000, -0.0002985700000000, 0.0001371300000000 ] - [ -0.0010589200000000, 0.0016376400000000, 0.0003105700000000 ] - [ -0.0029403100000000, -0.0017430500000000, 0.0003243800000000 ] - [ -0.0002162200000000, -0.0002066600000000, 0.0000549600000000 ] - [ -0.0004294400000000, 0.0004568000000000, -0.0001789400000000 ] - [ 0.0000628400000000, -0.0003488100000000, -0.0002721100000000 ] - [ 0.0002425000000000, 0.0004388200000000, 0.0002882100000000 ] - [ 0.0000540000000000, 0.0004913300000000, 0.0008771500000000 ] - [ 0.0004289500000000, 0.0002381900000000, -0.0006723900000000 ] - [ 0.0005474000000000, 0.0004834300000000, -0.0000487600000000 ] - [ 0.0018355200000000, -0.0176641500000000, -0.0003074500000000 ] - [ 0.0009378700000000, -0.0308574700000000, 0.0025144000000000 ] - [ -0.0006478900000000, -0.0077868500000000, 0.0017923100000000 ] - [ -0.0053691400000000, -0.0050871700000000, -0.0005062300000000 ] - [ 0.0021565200000000, -0.0042767100000000, 0.0025146800000000 ] - [ -0.0033849800000000, -0.0011015100000000, -0.0026600000000000 ] - [ -0.0012702000000000, 0.0027338400000000, -0.0005363900000000 ] - [ 0.0003773000000000, -0.0006629200000000, 0.0003547100000000 ] - [ 0.0010741000000000, 0.0022495200000000, 0.0005123600000000 ] - [ -0.0014460600000000, 0.0008752700000000, 0.0014833000000000 ] - [ -0.0017645300000000, 0.0017845800000000, 0.0004545900000000 ] - [ -0.0020052300000000, -0.0004307200000000, 0.0000136300000000 ] - [ -0.0001836800000000, 0.0001271900000000, 0.0006662000000000 ] - [ -0.0004410500000000, 0.0020093300000000, -0.0004676300000000 ] - [ -0.0004192500000000, 0.0024984700000000, 0.0005060200000000 ] - [ 0.0026904300000000, 0.0029095500000000, 0.0006066300000000 ] - [ 0.0061437100000000, -0.0001024000000000, 0.0004065200000000 ] - [ 0.0024726000000000, 0.0068039200000000, 0.0009963000000000 ] - [ 0.0002999200000000, 0.0001450100000000, -0.0003097800000000 ] - [ 0.0008317700000000, 0.0003600000000000, 0.0005579300000000 ] - [ 0.0002406000000000, -0.0009606500000000, 0.0006427400000000 ] - [ -0.0063933500000000, 0.0019483200000000, -0.0010526700000000 ] - [ 0.0000953200000000, -0.0010276900000000, 0.0001603000000000 ] - [ 0.0003208100000000, 0.0001500800000000, -0.0001679200000000 ] - [ -0.0008693000000000, -0.0007210200000000, -0.0007553800000000 ] - [ 0.0064147300000000, 0.0771739000000000, 0.0003961900000000 ] - [ -0.0042295700000000, -0.0058191100000000, 0.0016292600000000 ] - [ -0.0026348900000000, -0.0006377800000000, 0.0072532900000000 ] - [ 0.0001919300000000, 0.0009099400000000, -0.0002776500000000 ] - [ -0.0011694800000000, -0.0022538900000000, -0.0084475800000000 ] - [ -0.0007681000000000, -0.0007398500000000, -0.0000175800000000 ] - [ -0.0030661600000000, 0.0067819400000000, 0.0003129100000000 ] - [ -0.0001605800000000, 0.0010673600000000, -0.0006447000000000 ] - [ 0.0120016700000000, -0.0034114600000000, 0.0000319300000000 ] - [ -0.0006309100000000, 0.0010196700000000, -0.0002439600000000 ] - [ -0.0008294300000000, -0.0001547600000000, 0.0002506100000000 ] - [ -0.0003099400000000, 0.0003046500000000, -0.0005449600000000 ] - [ 0.0001970600000000, 0.0019012800000000, 0.0010453000000000 ] - [ 0.0007099600000000, 0.0005125900000000, -0.0002553400000000 ] - [ 0.0002175500000000, 0.0003418900000000, -0.0005985800000000 ] - [ 0.0003211500000000, -0.0004786000000000, 0.0000477900000000 ] - [ 0.0007300200000000, 0.0015642300000000, -0.0003768300000000 ] - [ -0.0001362100000000, -0.0001773700000000, -0.0002691500000000 ] - [ 0.0009312400000000, -0.0006981500000000, 0.0000420600000000 ] - [ 0.0007370900000000, -0.0011065100000000, -0.0003942800000000 ] - [ -0.0005946000000000, 0.0003476600000000, -0.0001004000000000 ] - [ 0.0004181200000000, -0.0003771500000000, 0.0002163600000000 ] - [ 0.0000992900000000, 0.0001762200000000, 0.0000407600000000 ] - [ 0.0000660000000000, -0.0002490700000000, -0.0000379100000000 ] - [ -0.0008028500000000, -0.0009563000000000, 0.0007889000000000 ] - [ -0.0011473200000000, -0.0006695400000000, -0.0002057700000000 ] - [ 0.0039479800000000, -0.0011158800000000, 0.0065231400000000 ] - [ -0.0008901200000000, 0.0002660100000000, -0.0002481000000000 ] - [ 0.0028755800000000, -0.0080869700000000, -0.0029884200000000 ] - [ -0.0003519100000000, -0.0010270200000000, -0.0004580400000000 ] - [ -0.0004101600000000, 0.0012554800000000, 0.0009002000000000 ] - [ -0.0002181100000000, -0.0006306900000000, -0.0000503700000000 ] - [ 0.0005906400000000, -0.0005876500000000, 0.0002365400000000 ] - [ 0.0001417900000000, -0.0004273500000000, 0.0005796300000000 ] - [ 0.0000842200000000, -0.0004430800000000, -0.0005090200000000 ] - [ -0.0002555200000000, -0.0000752200000000, 0.0001498500000000 ] - [ 0.0005157500000000, 0.0008823000000000, -0.0001230700000000 ] - [ 0.0009105000000000, -0.0008611400000000, -0.0000689800000000 ] - [ 0.0000616700000000, -0.0003258000000000, -0.0006222400000000 ] - [ 0.0004395600000000, 0.0000074400000000, -0.0000834500000000 ] - [ 0.0000738800000000, -0.0004546600000000, -0.0004290500000000 ] - [ 0.0003688700000000, -0.0003971400000000, 0.0001115400000000 ] - [ 0.0003396400000000, -0.0006677200000000, -0.0003660500000000 ] - [ 0.0002127400000000, -0.0002786300000000, 0.0002216800000000 ] - [ 0.0008450000000000, -0.0003521000000000, -0.0005524500000000 ] - [ 0.0003631300000000, 0.0002578000000000, -0.0002286900000000 ] - [ 0.0003646500000000, 0.0005153700000000, -0.0001425700000000 ] - [ 0.0007978700000000, -0.0003112200000000, -0.0002006900000000 ] - [ 0.0001925500000000, -0.0006765900000000, -0.0005401200000000 ] - [ 0.0002004000000000, 0.0002744300000000, -0.0005811800000000 ] - [ -0.0001504300000000, 0.0012550500000000, 0.0003396400000000 ] - [ 0.0003807900000000, -0.0005678300000000, 0.0003214300000000 ] - [ -0.0006796900000000, 0.0002856700000000, -0.0008345900000000 ] - [ 0.0049201500000000, -0.0073812500000000, 0.0016021100000000 ] - [ 0.0020931200000000, 0.0004032800000000, -0.0099354900000000 ] - [ 0.0008904100000000, 0.0002743400000000, 0.0003816800000000 ] - [ 0.0006554500000000, -0.0003840400000000, 0.0002026100000000 ] - [ 0.0002362900000000, 0.0001465000000000, -0.0000055800000000 ] - [ 0.0002349900000000, -0.0001295000000000, -0.0000301100000000 ] - [ -0.0000959800000000, 0.0002514600000000, 0.0000697800000000 ] - [ 0.0005195700000000, -0.0005206000000000, 0.0001128400000000 ] - [ 0.0002272500000000, -0.0003051200000000, -0.0003527700000000 ] - [ -0.0001769300000000, -0.0006036600000000, -0.0001125100000000 ] - [ 0.0003222600000000, 0.0006137000000000, -0.0000836600000000 ] - [ -0.0000389900000000, 0.0002083000000000, 0.0001372100000000 ] - [ 0.0002957600000000, -0.0002480000000000, -0.0003349500000000 ] - [ -0.0001154100000000, -0.0004865000000000, 0.0002310700000000 ] - [ 0.0006384500000000, -0.0002298700000000, -0.0004240800000000 ] - [ -0.0002246500000000, -0.0000144300000000, -0.0002056200000000 ] - [ -0.0009257900000000, 0.0000854100000000, -0.0003220500000000 ] - [ -0.0008118300000000, -0.0005813200000000, -0.0000618400000000 ] - [ 0.0004139100000000, -0.0015663900000000, -0.0003500000000000 ] - [ 0.0002937800000000, 0.0010622900000000, 0.0000485100000000 ] - [ -0.0007542500000000, -0.0001486400000000, 0.0001704800000000 ] - [ -0.0003687500000000, -0.0009917600000000, 0.0002295900000000 ] - [ -0.0000935900000000, -0.0004106000000000, 0.0000907500000000 ] - [ -0.0004713500000000, -0.0004493800000000, -0.0008224500000000 ] - [ 0.0001550900000000, -0.0063885300000000, -0.0019922600000000 ] - [ -0.0008940400000000, -0.0019104900000000, -0.0005140500000000 ] - [ -0.0028211000000000, 0.0052589400000000, 0.0067898800000000 ] - [ -0.0002928000000000, -0.0009104700000000, -0.0002044400000000 ] - [ -0.0002348400000000, 0.0001071800000000, -0.0001174700000000 ] - [ -0.0081904000000000, -0.0032217700000000, 0.0026735500000000 ] - [ -0.0042174000000000, 0.0015640400000000, -0.0059828800000000 ] - [ 0.0000610100000000, -0.0005351700000000, 0.0003213200000000 ] - [ -0.0001688300000000, -0.0005860100000000, 0.0002198000000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005569300000000, 0.0007876600000000, -0.0006480600000000 ] - [ -0.0008033500000000, -0.0004089100000000, -0.0009492800000000 ] - [ 0.0002456300000000, 0.0003429200000000, -0.0003357700000000 ] - [ 0.0017544900000000, -0.0004962800000000, -0.0020045000000000 ] - [ 0.0001464100000000, -0.0004234900000000, 0.0000087500000000 ] - [ 0.0000893100000000, 0.0000807100000000, 0.0000826100000000 ] - [ 0.0001411000000000, -0.0000806000000000, -0.0002213700000000 ] - [ -0.0000222700000000, 0.0000329600000000, 0.0001845200000000 ] - [ -0.0000807500000000, -0.0000054800000000, -0.0000756100000000 ] - [ -0.0000948800000000, 0.0000493800000000, -0.0000746400000000 ] - [ -0.0000001600000000, 0.0000209200000000, 0.0003559400000000 ] - [ 0.0000599300000000, -0.0000198100000000, 0.0001790600000000 ] - [ 0.0000217300000000, 0.0000593600000000, 0.0002847200000000 ] - [ -0.0000946300000000, 0.0000591400000000, 0.0010323500000000 ] - [ -0.0000672500000000, -0.0000304200000000, 0.0000906900000000 ] - [ -0.0000403900000000, -0.0000771800000000, -0.0002053700000000 ] - [ 0.0001738400000000, 0.0000698900000000, -0.0002646100000000 ] - [ 0.0000245000000000, -0.0000072600000000, 0.0002588500000000 ] - [ -0.0000216100000000, -0.0002832000000000, -0.0001413400000000 ] - [ 0.0000732200000000, 0.0003574000000000, -0.0001573500000000 ] - [ 0.0000417900000000, -0.0000126800000000, -0.0002292700000000 ] - [ 0.0028103200000000, 0.0082495600000000, 0.0119644300000000 ] - [ -0.0020632400000000, -0.0092528100000000, 0.0120177600000000 ] - [ 0.0010385900000000, 0.0001309700000000, -0.0066607200000000 ] - [ 0.0007238200000000, 0.0003678200000000, 0.0015910700000000 ] - [ -0.0009124800000000, -0.0009149700000000, -0.0007673600000000 ] - [ -0.0014380100000000, 0.0009689900000000, -0.0007520300000000 ] - [ -0.0006535600000000, 0.0003820800000000, 0.0000655700000000 ] - [ 0.0000720000000000, -0.0006486100000000, 0.0001410200000000 ] - [ 0.0003975000000000, 0.0005357800000000, 0.0004800300000000 ] - [ 0.0012102700000000, -0.0001313300000000, -0.0001516400000000 ] - [ 0.0001663300000000, -0.0004862200000000, 0.0003775300000000 ] - [ -0.0012756500000000, 0.0003328400000000, 0.0001799000000000 ] - [ -0.0007301500000000, 0.0001454300000000, 0.0001958300000000 ] - [ 0.0001057400000000, -0.0003947000000000, 0.0002200400000000 ] - [ 0.0004456100000000, 0.0003832700000000, 0.0007098500000000 ] - [ 0.0003699800000000, 0.0001934700000000, 0.0002562300000000 ] - [ 0.0004285400000000, -0.0007393900000000, 0.0013360700000000 ] - [ -0.0006576500000000, -0.0003414600000000, 0.0008147500000000 ] - [ -0.0000784200000000, -0.0001111700000000, 0.0001764700000000 ] - [ 0.0007963300000000, -0.0003959500000000, 0.0002609300000000 ] - [ 0.0000202100000000, 0.0000532800000000, -0.0001697900000000 ] - [ 0.0000757100000000, 0.0011931100000000, -0.0012019900000000 ] - [ -0.0000553100000000, -0.0003053400000000, 0.0002025600000000 ] - [ -0.0003035700000000, 0.0000876800000000, 0.0004720100000000 ] - [ -0.0000714100000000, 0.0001088000000000, -0.0001257500000000 ] - [ 0.0019745500000000, 0.0004607300000000, -0.0236341300000000 ] - [ 0.0012300200000000, 0.0009975500000000, -0.0005552500000000 ] - [ -0.0022514700000000, -0.0047218800000000, -0.0001688600000000 ] - [ 0.0004628300000000, -0.0000679600000000, 0.0018741300000000 ] - [ 0.0007117900000000, 0.0058878100000000, 0.0001622500000000 ] - [ 0.0002381000000000, 0.0001758100000000, 0.0002023500000000 ] - [ -0.0000191900000000, -0.0003736300000000, -0.0016789000000000 ] - [ 0.0002972000000000, 0.0004172300000000, 0.0001826000000000 ] - [ 0.0000214000000000, 0.0003190500000000, -0.0016788700000000 ] - [ 0.0001912700000000, -0.0006770800000000, 0.0001712900000000 ] - [ -0.0001548500000000, 0.0000885200000000, -0.0000132400000000 ] - [ -0.0003323800000000, -0.0003232500000000, 0.0002603900000000 ] - [ 0.0009512800000000, -0.0002759500000000, 0.0017471600000000 ] - [ -0.0002318800000000, 0.0000459800000000, -0.0002235800000000 ] - [ -0.0002018300000000, 0.0004265600000000, 0.0002698400000000 ] - [ 0.0002395400000000, 0.0000407900000000, 0.0001018600000000 ] - [ 0.0004776200000000, -0.0000129000000000, -0.0001268800000000 ] - [ -0.0000340700000000, 0.0000184000000000, -0.0000745100000000 ] - [ -0.0000917100000000, -0.0003128200000000, -0.0000997500000000 ] - [ 0.0001291600000000, 0.0000637100000000, -0.0000086800000000 ] - [ -0.0001525100000000, 0.0001264500000000, 0.0000387500000000 ] - [ 0.0000528700000000, 0.0000216400000000, -0.0000365700000000 ] - [ -0.0000170400000000, 0.0001000500000000, 0.0000941700000000 ] - [ 0.0000277200000000, -0.0001071600000000, -0.0000595100000000 ] - [ 0.0000991100000000, 0.0000660800000000, -0.0003026300000000 ] - [ -0.0000626200000000, -0.0001048000000000, 0.0000873000000000 ] - [ 0.0001612400000000, -0.0003029600000000, -0.0001670100000000 ] - [ -0.0001616100000000, 0.0002491000000000, -0.0000820500000000 ] - [ 0.0005332400000000, -0.0012610400000000, -0.0005319700000000 ] - [ 0.0000120300000000, -0.0002376400000000, -0.0001613200000000 ] - [ 0.0000342900000000, -0.0000019300000000, -0.0001707400000000 ] - [ -0.0000602300000000, 0.0000468800000000, -0.0000365500000000 ] - [ 0.0003624300000000, 0.0000340000000000, -0.0000750500000000 ] - [ 0.0000044800000000, 0.0001774900000000, 0.0001781900000000 ] - [ 0.0002118300000000, -0.0000534900000000, -0.0005109700000000 ] - [ -0.0001703500000000, -0.0001223300000000, 0.0001518300000000 ] - [ 0.0000116300000000, -0.0000668200000000, 0.0000326400000000 ] - [ 0.0000217900000000, 0.0000831600000000, -0.0000401400000000 ] - [ -0.0001590500000000, 0.0002388200000000, -0.0004642700000000 ] - [ -0.0001653500000000, -0.0000949900000000, -0.0000303400000000 ] - [ -0.0000421900000000, -0.0003148900000000, -0.0004603100000000 ] - [ -0.0000481600000000, 0.0001612600000000, 0.0000571000000000 ] - [ -0.0001221200000000, -0.0001741100000000, -0.0005040200000000 ] - [ 0.0000231700000000, -0.0000438800000000, 0.0002536000000000 ] - [ 0.0001040300000000, -0.0000509800000000, 0.0000276600000000 ] - [ -0.0000125900000000, 0.0001705700000000, -0.0005641800000000 ] - [ 0.0002749600000000, 0.0001861100000000, -0.0001331600000000 ] - [ 0.0003648600000000, -0.0001016200000000, -0.0004267200000000 ] - [ -0.0000190800000000, -0.0000738500000000, -0.0002210700000000 ] - [ -0.0006269200000000, 0.0000445800000000, 0.0001222300000000 ] - [ 0.0000905900000000, -0.0000540500000000, -0.0000723400000000 ] - [ -0.0002101300000000, 0.0000144400000000, -0.0001155400000000 ] - [ 0.0000020600000000, 0.0001001200000000, -0.0002586100000000 ] - [ -0.0006338100000000, -0.0012127000000000, -0.0015556700000000 ] - [ -0.0005300500000000, 0.0040417400000000, 0.0049254500000000 ] - [ 0.0002058000000000, -0.0000129300000000, -0.0002725200000000 ] - [ 0.0000089100000000, -0.0001464400000000, 0.0001206500000000 ] - [ 0.0002046000000000, 0.0000516900000000, 0.0000794800000000 ] - [ -0.0002915600000000, 0.0002088500000000, -0.0000836200000000 ] - [ -0.0000810000000000, -0.0000167500000000, -0.0000005700000000 ] - [ -0.0000332300000000, -0.0002635300000000, -0.0000677100000000 ] - [ -0.0001277700000000, 0.0001653100000000, 0.0001481700000000 ] - [ -0.0000498300000000, 0.0000725700000000, -0.0001147700000000 ] - [ 0.0004446000000000, 0.0001991400000000, -0.0000303800000000 ] - [ -0.0000218600000000, 0.0002149200000000, 0.0002360200000000 ] - [ 0.0002091300000000, -0.0000140400000000, -0.0003701700000000 ] - [ -0.0001852000000000, -0.0001067400000000, 0.0002637500000000 ] - [ -0.0000407400000000, 0.0000727700000000, 0.0000217700000000 ] - [ 0.0001231600000000, 0.0000435600000000, -0.0001081900000000 ] - [ -0.0001788600000000, 0.0002083000000000, -0.0004203200000000 ] - [ -0.0000425700000000, -0.0000996500000000, -0.0001186800000000 ] - [ -0.0001648300000000, -0.0001523900000000, -0.0004236000000000 ] - [ -0.0005149000000000, -0.0000866800000000, 0.0007324900000000 ] - [ -0.0002720700000000, -0.0002274200000000, -0.0004593200000000 ] - [ -0.0000154400000000, 0.0000426900000000, 0.0002007000000000 ] - [ 0.0001877100000000, -0.0001061200000000, 0.0002673900000000 ] - [ -0.0000536400000000, 0.0002544000000000, -0.0003471400000000 ] - [ 0.0002104500000000, 0.0005726900000000, 0.0001397400000000 ] - [ 0.0002352200000000, 0.0000697600000000, -0.0004306900000000 ] - [ -0.0035779700000000, -0.0038644200000000, 0.0065344600000000 ] - [ -0.0000683400000000, -0.0003804200000000, -0.0000955600000000 ] - [ 0.0001914100000000, 0.0000700700000000, 0.0001965500000000 ] - [ -0.0007264600000000, 0.0000354100000000, 0.0000518100000000 ] - [ 0.0001935900000000, 0.0002805700000000, -0.0002120400000000 ] - [ 0.0000532300000000, -0.0000066300000000, 0.0000331800000000 ] - [ -0.0000386900000000, -0.0001646400000000, 0.0000286600000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004864900000000, -0.0008794700000000, 0.0009064300000000 ] - [ 0.0007506600000000, 0.0003113100000000, 0.0006223500000000 ] - [ -0.0003047700000000, -0.0002411600000000, 0.0000061400000000 ] - [ -0.0017695600000000, 0.0005009400000000, 0.0026085600000000 ] - [ -0.0000386700000000, 0.0004030600000000, 0.0002459400000000 ] - [ -0.0001242300000000, 0.0000243700000000, 0.0001747900000000 ] - [ -0.0000206500000000, 0.0000800800000000, -0.0001085900000000 ] - [ -0.0000513100000000, -0.0001164800000000, 0.0000494100000000 ] - [ 0.0000213400000000, -0.0001046000000000, -0.0002541400000000 ] - [ 0.0000358300000000, 0.0000576600000000, -0.0002547000000000 ] - [ 0.0000005000000000, -0.0000213500000000, 0.0002312600000000 ] - [ 0.0000461800000000, -0.0000025700000000, 0.0000548900000000 ] - [ -0.0000581800000000, 0.0000451500000000, -0.0000486600000000 ] - [ 0.0002165900000000, -0.0000571900000000, -0.0013647000000000 ] - [ -0.0000045900000000, -0.0000483300000000, 0.0001478900000000 ] - [ -0.0000209000000000, -0.0000298300000000, -0.0001428300000000 ] - [ -0.0002317200000000, 0.0000372800000000, -0.0000828400000000 ] - [ -0.0000241000000000, 0.0000074900000000, 0.0003470000000000 ] - [ 0.0001242400000000, 0.0002584700000000, 0.0003816800000000 ] - [ -0.0001069600000000, -0.0002527700000000, 0.0003996600000000 ] - [ 0.0000827400000000, 0.0000124500000000, -0.0001188100000000 ] - [ -0.0041656000000000, -0.0079338900000000, -0.0115796300000000 ] - [ 0.0022882800000000, 0.0081028600000000, -0.0116387100000000 ] - [ -0.0002773000000000, 0.0008367800000000, 0.0077307300000000 ] - [ 0.0003529300000000, 0.0004800200000000, -0.0010714700000000 ] - [ 0.0013733800000000, -0.0002378800000000, 0.0018603400000000 ] - [ 0.0002213100000000, -0.0007922000000000, 0.0018474100000000 ] - [ -0.0006193400000000, 0.0001078000000000, 0.0005022900000000 ] - [ 0.0001380600000000, -0.0006995600000000, 0.0004262600000000 ] - [ 0.0003611200000000, 0.0004311000000000, 0.0005491000000000 ] - [ -0.0001463200000000, 0.0009848800000000, 0.0007213600000000 ] - [ 0.0003024500000000, -0.0006606800000000, 0.0006508900000000 ] - [ 0.0000711900000000, -0.0001694000000000, 0.0008520800000000 ] - [ -0.0005345600000000, 0.0003565800000000, 0.0003734500000000 ] - [ 0.0000908600000000, -0.0009515200000000, 0.0003496800000000 ] - [ 0.0003011100000000, 0.0005810600000000, 0.0003607900000000 ] - [ 0.0006936600000000, 0.0006581400000000, 0.0003112500000000 ] - [ 0.0000242000000000, -0.0003885300000000, -0.0002657900000000 ] - [ -0.0005448000000000, 0.0005174000000000, 0.0002569800000000 ] - [ 0.0001119200000000, 0.0000573600000000, -0.0004797900000000 ] - [ -0.0009846300000000, 0.0001237600000000, -0.0002455500000000 ] - [ 0.0002002600000000, 0.0001266300000000, 0.0001561700000000 ] - [ -0.0006517800000000, -0.0007583100000000, 0.0011483000000000 ] - [ -0.0001062500000000, 0.0002210400000000, -0.0000903800000000 ] - [ 0.0003011100000000, -0.0006513300000000, -0.0005578800000000 ] - [ -0.0001961600000000, -0.0000032700000000, 0.0001120500000000 ] - [ -0.0019056700000000, -0.0003102800000000, 0.0235411100000000 ] - [ -0.0005724900000000, -0.0007191500000000, 0.0005020600000000 ] - [ 0.0022503700000000, 0.0051621600000000, 0.0004793800000000 ] - [ -0.0000306200000000, 0.0000361800000000, -0.0027973200000000 ] - [ -0.0010207900000000, -0.0062055300000000, 0.0001402400000000 ] - [ -0.0000848000000000, -0.0002765400000000, -0.0000910200000000 ] - [ 0.0001796500000000, 0.0003950600000000, 0.0015516800000000 ] - [ -0.0006506800000000, 0.0000344900000000, -0.0010174300000000 ] - [ -0.0001312700000000, -0.0004783000000000, 0.0015517100000000 ] - [ -0.0003970400000000, 0.0001362600000000, -0.0010079500000000 ] - [ 0.0000005200000000, 0.0002006000000000, 0.0000283400000000 ] - [ 0.0000864600000000, -0.0000323500000000, -0.0011757000000000 ] - [ -0.0009428200000000, 0.0002739700000000, -0.0010773100000000 ] - [ 0.0005726600000000, -0.0001936300000000, 0.0005318400000000 ] - [ 0.0000159700000000, -0.0000360500000000, -0.0011851500000000 ] - [ 0.0002489200000000, 0.0002418100000000, -0.0001872400000000 ] - [ 0.0000924000000000, 0.0001044800000000, -0.0007083100000000 ] - [ -0.0000277400000000, -0.0000258200000000, -0.0002280600000000 ] - [ 0.0000104900000000, -0.0004216400000000, 0.0000375300000000 ] - [ 0.0001966600000000, -0.0000688600000000, 0.0000268600000000 ] - [ -0.0003376000000000, 0.0001578900000000, -0.0001253700000000 ] - [ -0.0000233200000000, 0.0000367900000000, -0.0002653500000000 ] - [ 0.0000207900000000, 0.0000803500000000, 0.0000174000000000 ] - [ 0.0000185400000000, -0.0001732800000000, 0.0000421000000000 ] - [ -0.0000079800000000, -0.0000454000000000, -0.0000212800000000 ] - [ -0.0001303000000000, -0.0001499200000000, 0.0000941100000000 ] - [ 0.0000910000000000, 0.0004243100000000, 0.0002305800000000 ] - [ -0.0004261200000000, 0.0001908300000000, -0.0000961300000000 ] - [ -0.0006776400000000, 0.0012454500000000, 0.0007591000000000 ] - [ -0.0000110400000000, -0.0003316300000000, -0.0000908700000000 ] - [ -0.0002767000000000, 0.0001780200000000, 0.0002582600000000 ] - [ -0.0000426100000000, 0.0000954500000000, -0.0000647600000000 ] - [ 0.0003116600000000, 0.0002544200000000, -0.0001047300000000 ] - [ -0.0000201500000000, 0.0002448300000000, 0.0001844500000000 ] - [ 0.0001966700000000, -0.0000173300000000, -0.0003737100000000 ] - [ -0.0001878600000000, -0.0001072600000000, 0.0002121300000000 ] - [ 0.0000896600000000, -0.0000275900000000, 0.0001749100000000 ] - [ 0.0001553600000000, -0.0000617000000000, -0.0000594100000000 ] - [ -0.0001849200000000, 0.0001994600000000, -0.0004314500000000 ] - [ 0.0000947200000000, -0.0000668500000000, -0.0000696900000000 ] - [ -0.0001684900000000, -0.0001967200000000, -0.0004369200000000 ] - [ -0.0000804600000000, 0.0001280100000000, 0.0001230000000000 ] - [ -0.0001471700000000, -0.0001419900000000, -0.0003777500000000 ] - [ -0.0000250700000000, 0.0000460900000000, 0.0001529600000000 ] - [ 0.0002715700000000, -0.0001430500000000, 0.0003339800000000 ] - [ -0.0001281100000000, 0.0002193600000000, -0.0003201200000000 ] - [ 0.0002149800000000, 0.0000965800000000, -0.0001183400000000 ] - [ 0.0001836300000000, 0.0001856400000000, -0.0004691700000000 ] - [ -0.0000050600000000, -0.0000223800000000, -0.0001049400000000 ] - [ 0.0005346000000000, -0.0007737400000000, -0.0003000700000000 ] - [ 0.0002259400000000, 0.0000217100000000, 0.0002526100000000 ] - [ -0.0002810500000000, 0.0002719100000000, -0.0001368700000000 ] - [ -0.0000652400000000, -0.0000319400000000, -0.0000640100000000 ] - [ 0.0006790400000000, 0.0013315500000000, 0.0017786300000000 ] - [ 0.0004904100000000, -0.0042328500000000, -0.0047531300000000 ] - [ -0.0001380000000000, 0.0000020400000000, 0.0001726000000000 ] - [ -0.0002472000000000, -0.0000589500000000, -0.0001004800000000 ] - [ 0.0000579100000000, 0.0000740900000000, -0.0002187500000000 ] - [ -0.0003013300000000, 0.0002251300000000, -0.0001703200000000 ] - [ -0.0000439900000000, -0.0000206400000000, 0.0000013700000000 ] - [ 0.0000308400000000, -0.0003082800000000, 0.0000314200000000 ] - [ -0.0001149800000000, 0.0000060300000000, -0.0002868500000000 ] - [ -0.0000542000000000, 0.0000704400000000, -0.0001429100000000 ] - [ 0.0002267000000000, 0.0000965700000000, -0.0002246900000000 ] - [ 0.0000067600000000, 0.0002079800000000, 0.0000402800000000 ] - [ 0.0002093400000000, -0.0000319300000000, -0.0003207100000000 ] - [ -0.0001742700000000, -0.0001233400000000, 0.0000124300000000 ] - [ 0.0001343400000000, -0.0001617600000000, -0.0000223800000000 ] - [ 0.0000563100000000, -0.0000227600000000, -0.0001474800000000 ] - [ -0.0001251700000000, 0.0002233000000000, -0.0003642900000000 ] - [ -0.0000277200000000, -0.0000641200000000, -0.0001379100000000 ] - [ -0.0000551900000000, -0.0003298100000000, -0.0003620200000000 ] - [ 0.0004465500000000, 0.0003893000000000, -0.0007109900000000 ] - [ 0.0000207900000000, -0.0001105400000000, -0.0002319000000000 ] - [ 0.0000164300000000, -0.0000427000000000, 0.0002861100000000 ] - [ 0.0001896800000000, -0.0000902300000000, 0.0000074200000000 ] - [ -0.0001140900000000, 0.0001297100000000, -0.0003455100000000 ] - [ 0.0002873600000000, -0.0003205500000000, -0.0001837300000000 ] - [ 0.0002917000000000, -0.0000157600000000, -0.0003540500000000 ] - [ 0.0034456600000000, 0.0037059900000000, -0.0065134200000000 ] - [ -0.0000120300000000, -0.0003537900000000, -0.0001578500000000 ] - [ 0.0001052200000000, -0.0001623700000000, -0.0001759200000000 ] - [ 0.0002641700000000, 0.0002642300000000, -0.0000974000000000 ] - [ -0.0002270700000000, -0.0002071300000000, 0.0000944200000000 ] - [ -0.0000262300000000, 0.0001309700000000, -0.0000338600000000 ] - [ 0.0000158200000000, -0.0001263300000000, -0.0001687300000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000065404, 0.0000000000000000 ] forces: - [ 0.0024298900000000, -0.0002135600000000, -0.0000688100000000 ] - [ -0.0002206900000000, -0.0006264700000000, -0.0002766700000000 ] - [ 0.0035570400000000, 0.0020731800000000, -0.0013931300000000 ] - [ 0.0020958800000000, -0.0006620600000000, -0.0000768000000000 ] - [ 0.0000625600000000, -0.0000271700000000, 0.0000864400000000 ] - [ -0.0008633600000000, 0.0003554700000000, 0.0003225800000000 ] - [ 0.0000036100000000, 0.0003041200000000, -0.0001002800000000 ] - [ -0.0001672900000000, -0.0002279500000000, 0.0000763200000000 ] - [ -0.0007324700000000, -0.0002399000000000, -0.0006693500000000 ] - [ -0.0000308900000000, 0.0002122400000000, -0.0001389000000000 ] - [ -0.0003649600000000, 0.0000565600000000, 0.0003178800000000 ] - [ -0.0002874200000000, -0.0000198400000000, 0.0001294100000000 ] - [ -0.0001449900000000, 0.0008885800000000, 0.0004587100000000 ] - [ -0.0007495300000000, -0.0005308500000000, 0.0003221000000000 ] - [ -0.0001613700000000, 0.0000823500000000, 0.0001006800000000 ] - [ -0.0000436100000000, 0.0001498100000000, -0.0001992700000000 ] - [ -0.0002366600000000, -0.0000494400000000, -0.0001946700000000 ] - [ 0.0000533500000000, -0.0000520800000000, 0.0002914400000000 ] - [ 0.0005414800000000, 0.0000649400000000, 0.0001179200000000 ] - [ -0.0000221300000000, -0.0001318000000000, 0.0001432500000000 ] - [ -0.0000324400000000, -0.0001840500000000, -0.0000859900000000 ] - [ 0.0146420700000000, 0.0000714600000000, -0.0021695400000000 ] - [ 0.0009712200000000, -0.0026854400000000, 0.0005367900000000 ] - [ 0.0015487700000000, -0.0002132400000000, -0.0004615700000000 ] - [ -0.0006173500000000, 0.0033126300000000, -0.0009802700000000 ] - [ 0.0010690800000000, -0.0002937800000000, 0.0027021400000000 ] - [ 0.0001555800000000, 0.0005044500000000, 0.0007600400000000 ] - [ -0.0012436700000000, 0.0003367200000000, 0.0003258600000000 ] - [ -0.0011992500000000, -0.0006756800000000, 0.0003278300000000 ] - [ -0.0016868700000000, -0.0003096700000000, 0.0007722700000000 ] - [ -0.0003817900000000, 0.0008321300000000, 0.0000536500000000 ] - [ -0.0010145700000000, 0.0006813200000000, 0.0003349600000000 ] - [ -0.0031993700000000, -0.0000239400000000, 0.0001884300000000 ] - [ -0.0012654900000000, 0.0001074100000000, 0.0002864800000000 ] - [ 0.0012739900000000, 0.0007834500000000, 0.0001721400000000 ] - [ 0.0002748200000000, 0.0010863400000000, 0.0005705700000000 ] - [ 0.0004653900000000, -0.0009088600000000, 0.0003983800000000 ] - [ -0.0001598000000000, -0.0014161500000000, 0.0005554100000000 ] - [ 0.0009687400000000, -0.0017157600000000, -0.0003704300000000 ] - [ 0.0004135600000000, 0.0000012800000000, -0.0000395200000000 ] - [ 0.0013030500000000, 0.0000796700000000, 0.0002190700000000 ] - [ -0.0006589800000000, -0.0000128800000000, -0.0003585200000000 ] - [ -0.0001415800000000, 0.0006176600000000, -0.0001572400000000 ] - [ -0.0010397700000000, -0.0011231800000000, 0.0004643800000000 ] - [ 0.0000151600000000, -0.0002300100000000, 0.0005868100000000 ] - [ -0.0001141300000000, 0.0003136300000000, 0.0001673100000000 ] - [ -0.0006681200000000, 0.0027569400000000, -0.0023125600000000 ] - [ 0.0004884400000000, 0.0043927800000000, 0.0048303900000000 ] - [ -0.0253225500000000, -0.0007974000000000, 0.0064528900000000 ] - [ 0.0000475400000000, 0.0009761300000000, 0.0013580900000000 ] - [ -0.0004755900000000, 0.0001554400000000, 0.0003063400000000 ] - [ 0.0002161200000000, 0.0002449000000000, 0.0000070000000000 ] - [ 0.0014422200000000, -0.0027698700000000, 0.0047704300000000 ] - [ -0.0013395000000000, 0.0000512300000000, -0.0005120100000000 ] - [ -0.0010003400000000, -0.0004273600000000, 0.0000316200000000 ] - [ -0.0005409400000000, 0.0001021300000000, -0.0004084800000000 ] - [ 0.0014143100000000, 0.0008557700000000, -0.0002352600000000 ] - [ 0.0005988100000000, -0.0007434800000000, -0.0031424600000000 ] - [ -0.0005571700000000, -0.0000507200000000, 0.0003151400000000 ] - [ 0.0004425600000000, -0.0006876700000000, 0.0003053800000000 ] - [ -0.0001434600000000, -0.0000616800000000, -0.0006848300000000 ] - [ 0.0001979500000000, 0.0000904900000000, -0.0000536000000000 ] - [ 0.0001325100000000, -0.0004001900000000, -0.0005999600000000 ] - [ 0.0002459400000000, -0.0000356900000000, -0.0003322100000000 ] - [ 0.0001809400000000, -0.0008930000000000, -0.0000473000000000 ] - [ 0.0002307500000000, -0.0003389600000000, -0.0000465200000000 ] - [ 0.0001570500000000, 0.0001706700000000, -0.0002262700000000 ] - [ 0.0002222100000000, -0.0001046900000000, 0.0000509900000000 ] - [ 0.0003151700000000, -0.0000791600000000, 0.0000776600000000 ] - [ 0.0001410200000000, -0.0001899600000000, -0.0000709100000000 ] - [ 0.0000660200000000, 0.0004591200000000, -0.0001971000000000 ] - [ -0.0000423200000000, 0.0002370000000000, 0.0002789400000000 ] - [ -0.0001349500000000, 0.0001294100000000, -0.0001940300000000 ] - [ 0.0000131800000000, 0.0002465200000000, -0.0000486100000000 ] - [ -0.0001646100000000, 0.0002592000000000, 0.0001738800000000 ] - [ 0.0000781000000000, -0.0000889000000000, -0.0000862000000000 ] - [ 0.0000171400000000, 0.0000197700000000, 0.0003593400000000 ] - [ 0.0001200700000000, 0.0002063300000000, -0.0000646500000000 ] - [ 0.0003429100000000, 0.0000269700000000, -0.0001070300000000 ] - [ 0.0000790400000000, 0.0001873000000000, 0.0001636800000000 ] - [ 0.0004840500000000, 0.0000845300000000, -0.0003676700000000 ] - [ 0.0000743300000000, -0.0001104000000000, 0.0002564500000000 ] - [ 0.0004532000000000, -0.0002555600000000, 0.0002439300000000 ] - [ 0.0004424900000000, -0.0003049900000000, -0.0000397500000000 ] - [ 0.0003883500000000, 0.0003169900000000, -0.0004415500000000 ] - [ 0.0006006600000000, 0.0000272800000000, -0.0000423900000000 ] - [ 0.0005784600000000, -0.0005450100000000, -0.0004961300000000 ] - [ -0.0001601400000000, -0.0001487000000000, 0.0001099900000000 ] - [ 0.0000660200000000, -0.0003301100000000, -0.0004472200000000 ] - [ 0.0004830200000000, -0.0001181500000000, 0.0002310800000000 ] - [ 0.0004936600000000, -0.0002093300000000, -0.0001449100000000 ] - [ 0.0002958100000000, 0.0002048300000000, -0.0004992800000000 ] - [ 0.0006027800000000, 0.0002943600000000, -0.0001748100000000 ] - [ 0.0010018900000000, -0.0002338700000000, -0.0003531400000000 ] - [ -0.0000529000000000, -0.0003036100000000, -0.0003614600000000 ] - [ 0.0000283000000000, -0.0002879200000000, -0.0001654800000000 ] - [ 0.0003278300000000, 0.0002963500000000, 0.0000842400000000 ] - [ -0.0001220400000000, -0.0007900600000000, 0.0001067200000000 ] - [ 0.0000954300000000, 0.0001319900000000, -0.0001240200000000 ] - [ 0.0037533000000000, -0.0022213900000000, -0.0078065800000000 ] - [ -0.0005672200000000, -0.0003218200000000, 0.0005415500000000 ] - [ -0.0001769900000000, -0.0002909000000000, 0.0003110400000000 ] - [ -0.0001008800000000, -0.0002362000000000, 0.0000004300000000 ] - [ 0.0005599400000000, 0.0000467800000000, 0.0002350100000000 ] - [ -0.0003267300000000, -0.0000260300000000, -0.0000431900000000 ] - [ 0.0001233200000000, -0.0000851800000000, -0.0000051300000000 ] - [ 0.0003893200000000, -0.0006118400000000, 0.0000911100000000 ] - [ 0.0001545900000000, -0.0001997300000000, 0.0000196900000000 ] - [ -0.0001042100000000, -0.0001305700000000, -0.0001162600000000 ] - [ 0.0006321500000000, 0.0004308900000000, -0.0000986100000000 ] - [ 0.0000792700000000, 0.0002381900000000, 0.0001466400000000 ] - [ 0.0002147400000000, -0.0001019400000000, -0.0003248400000000 ] - [ -0.0002781700000000, -0.0002368700000000, 0.0002663900000000 ] - [ -0.0000187900000000, -0.0002293500000000, -0.0000561700000000 ] - [ 0.0000170900000000, 0.0002119300000000, -0.0001387000000000 ] - [ 0.0000045900000000, 0.0002488700000000, -0.0003934900000000 ] - [ -0.0005364200000000, 0.0000819500000000, -0.0001256500000000 ] - [ -0.0004422500000000, -0.0002515800000000, -0.0003534700000000 ] - [ 0.0000771800000000, 0.0003734300000000, 0.0001066600000000 ] - [ -0.0000833800000000, -0.0000660500000000, -0.0003498600000000 ] - [ -0.0000483500000000, 0.0001890400000000, 0.0002159500000000 ] - [ 0.0001765100000000, 0.0000509500000000, 0.0000692300000000 ] - [ -0.0002410700000000, 0.0002086000000000, -0.0001638800000000 ] - [ -0.0005489900000000, -0.0004220500000000, -0.0000452600000000 ] - [ 0.0003708400000000, 0.0004356800000000, -0.0003647000000000 ] - [ -0.0000440400000000, 0.0002361500000000, -0.0001145100000000 ] - [ 0.0003805300000000, 0.0002519300000000, -0.0001506600000000 ] - [ 0.0000281300000000, -0.0001374500000000, -0.0006961100000000 ] - [ -0.0001033100000000, 0.0003428900000000, -0.0000797500000000 ] - [ -0.0016440800000000, 0.0001369700000000, -0.0018376400000000 ] - [ 0.0001549800000000, 0.0001223300000000, 0.0000157500000000 ] - [ 0.0002018900000000, 0.0000027500000000, -0.0002896400000000 ]- atom: 49 displacement: [ -0.0100000000000000, -0.0000000000065404, 0.0000000000000000 ] forces: - [ -0.0027361800000000, 0.0001880400000000, 0.0002125500000000 ] - [ 0.0001590500000000, 0.0005260800000000, -0.0000518300000000 ] - [ -0.0035206400000000, -0.0018463800000000, 0.0009694500000000 ] - [ -0.0021049800000000, 0.0006720500000000, 0.0006744100000000 ] - [ 0.0000455600000000, 0.0000014900000000, 0.0001696500000000 ] - [ 0.0008248800000000, -0.0002470900000000, -0.0000628800000000 ] - [ 0.0001181200000000, -0.0003060700000000, -0.0002288900000000 ] - [ 0.0000945000000000, 0.0001467300000000, 0.0001573100000000 ] - [ 0.0006717200000000, 0.0001289400000000, 0.0003340700000000 ] - [ -0.0000306500000000, -0.0001047900000000, -0.0001914700000000 ] - [ 0.0003650700000000, -0.0000569400000000, 0.0002695600000000 ] - [ 0.0003934700000000, -0.0000024300000000, 0.0001039500000000 ] - [ 0.0001060700000000, -0.0007858000000000, -0.0002257000000000 ] - [ 0.0008747400000000, 0.0005339900000000, -0.0006578100000000 ] - [ 0.0000901800000000, -0.0001614000000000, 0.0001378400000000 ] - [ -0.0000182500000000, -0.0002570900000000, -0.0001489300000000 ] - [ 0.0001760700000000, 0.0001564000000000, -0.0001531200000000 ] - [ -0.0000530000000000, 0.0000523400000000, 0.0003157800000000 ] - [ -0.0004385900000000, -0.0000842700000000, 0.0001274000000000 ] - [ -0.0000125700000000, 0.0002320400000000, 0.0000973400000000 ] - [ 0.0001576900000000, 0.0001842000000000, -0.0002609300000000 ] - [ -0.0158805800000000, 0.0004049500000000, 0.0022902600000000 ] - [ -0.0007735000000000, 0.0013186700000000, -0.0000184000000000 ] - [ -0.0008064700000000, 0.0011729200000000, 0.0015756600000000 ] - [ 0.0016872500000000, -0.0024611400000000, 0.0014929300000000 ] - [ -0.0005814400000000, -0.0008559000000000, -0.0015857500000000 ] - [ -0.0013666600000000, -0.0003467300000000, 0.0003220100000000 ] - [ -0.0000298400000000, 0.0001456000000000, 0.0002393500000000 ] - [ 0.0014150800000000, -0.0006675800000000, 0.0002405500000000 ] - [ 0.0024372300000000, 0.0012717400000000, 0.0002581400000000 ] - [ 0.0014301900000000, 0.0000310500000000, 0.0005223100000000 ] - [ 0.0014870200000000, -0.0018346400000000, 0.0006939300000000 ] - [ 0.0019993300000000, 0.0001916700000000, 0.0008447000000000 ] - [ 0.0000009300000000, 0.0003904500000000, 0.0002840100000000 ] - [ -0.0010778600000000, -0.0021282800000000, 0.0003970100000000 ] - [ 0.0004697500000000, -0.0001210600000000, 0.0004963000000000 ] - [ 0.0005920900000000, 0.0017533900000000, 0.0001707100000000 ] - [ 0.0006223000000000, 0.0002875600000000, 0.0005106000000000 ] - [ -0.0021593700000000, 0.0018992100000000, 0.0014345200000000 ] - [ -0.0003804900000000, -0.0000559600000000, -0.0002679500000000 ] - [ -0.0014921400000000, -0.0003577000000000, -0.0002025600000000 ] - [ 0.0008797900000000, 0.0001886400000000, 0.0003468000000000 ] - [ -0.0004482000000000, -0.0001841300000000, 0.0000945800000000 ] - [ 0.0008819300000000, 0.0010367900000000, -0.0003516200000000 ] - [ -0.0000106100000000, -0.0003419200000000, -0.0006824700000000 ] - [ -0.0001537400000000, -0.0002083500000000, -0.0001826000000000 ] - [ 0.0005941000000000, -0.0025663200000000, 0.0021885600000000 ] - [ 0.0001593400000000, -0.0040687900000000, -0.0048438600000000 ] - [ 0.0254816800000000, 0.0009530800000000, -0.0057063400000000 ] - [ 0.0003905500000000, -0.0010164000000000, -0.0022855400000000 ] - [ 0.0001797400000000, -0.0003751400000000, 0.0000009300000000 ] - [ -0.0000605600000000, -0.0003419900000000, 0.0001036100000000 ] - [ -0.0012686500000000, 0.0027711200000000, -0.0048370200000000 ] - [ 0.0009782600000000, 0.0003981400000000, -0.0003259100000000 ] - [ 0.0009131800000000, 0.0002600400000000, -0.0001638800000000 ] - [ 0.0003309900000000, -0.0006356100000000, -0.0004285100000000 ] - [ -0.0015608300000000, -0.0005627700000000, 0.0002493800000000 ] - [ -0.0008435700000000, 0.0003796900000000, 0.0022043100000000 ] - [ 0.0005543900000000, 0.0000554000000000, 0.0003408600000000 ] - [ -0.0001059700000000, 0.0005380600000000, 0.0000000500000000 ] - [ -0.0000446100000000, 0.0004572600000000, -0.0002254700000000 ] - [ 0.0002911400000000, 0.0001952100000000, -0.0000307700000000 ] - [ 0.0004341900000000, 0.0004931900000000, -0.0002361100000000 ] - [ -0.0003076400000000, 0.0000269700000000, 0.0000270400000000 ] - [ -0.0002621400000000, 0.0001581400000000, -0.0000155600000000 ] - [ 0.0000945900000000, 0.0003361400000000, 0.0000645000000000 ] - [ -0.0006504200000000, 0.0001134300000000, 0.0001379600000000 ] - [ -0.0001933700000000, 0.0001642900000000, -0.0003542700000000 ] - [ -0.0003118900000000, 0.0002588000000000, 0.0000333400000000 ] - [ -0.0000951900000000, -0.0000906500000000, 0.0000534600000000 ] - [ 0.0000236500000000, -0.0004380600000000, -0.0001248100000000 ] - [ -0.0001522000000000, -0.0004925100000000, -0.0000964400000000 ] - [ 0.0003999100000000, -0.0000047500000000, 0.0002808600000000 ] - [ -0.0006053500000000, 0.0001922100000000, -0.0001299600000000 ] - [ 0.0000306300000000, -0.0002993300000000, 0.0000345400000000 ] - [ -0.0000779700000000, -0.0004791200000000, -0.0001667400000000 ] - [ -0.0002621200000000, 0.0001588000000000, -0.0002674000000000 ] - [ -0.0002233000000000, -0.0000645300000000, -0.0000366900000000 ] - [ 0.0003316800000000, 0.0002633900000000, -0.0000716300000000 ] - [ -0.0000945200000000, 0.0002343400000000, 0.0002011900000000 ] - [ -0.0000751900000000, -0.0001554800000000, -0.0005154100000000 ] - [ -0.0004328000000000, -0.0001194600000000, 0.0001090000000000 ] - [ -0.0003520100000000, 0.0001589100000000, -0.0000350400000000 ] - [ -0.0002645800000000, 0.0003255400000000, -0.0000602300000000 ] - [ -0.0007320900000000, 0.0001218100000000, -0.0004546400000000 ] - [ -0.0006702900000000, -0.0001895100000000, -0.0000577600000000 ] - [ -0.0007882600000000, 0.0000323800000000, -0.0004014200000000 ] - [ 0.0000316800000000, 0.0004379900000000, 0.0000708300000000 ] - [ -0.0003358200000000, 0.0000144200000000, -0.0004334600000000 ] - [ -0.0004852600000000, 0.0001202300000000, 0.0001741100000000 ] - [ -0.0001179200000000, 0.0000146300000000, 0.0005103200000000 ] - [ -0.0004371600000000, 0.0001846800000000, -0.0003840300000000 ] - [ -0.0001128600000000, -0.0000132400000000, -0.0000771900000000 ] - [ -0.0004584500000000, 0.0003190100000000, -0.0005428500000000 ] - [ 0.0000288400000000, 0.0002076100000000, 0.0000357900000000 ] - [ -0.0001120300000000, -0.0004465500000000, -0.0000131900000000 ] - [ -0.0000114400000000, -0.0003274500000000, 0.0000980800000000 ] - [ -0.0003684800000000, 0.0010819600000000, -0.0003596300000000 ] - [ -0.0001593300000000, -0.0000635900000000, -0.0001999900000000 ] - [ -0.0037798300000000, 0.0024039600000000, 0.0081731200000000 ] - [ 0.0005821000000000, 0.0000529500000000, -0.0005136800000000 ] - [ 0.0002432600000000, 0.0002801400000000, -0.0004073200000000 ] - [ -0.0001392000000000, 0.0000317100000000, 0.0000200700000000 ] - [ -0.0002982800000000, 0.0000783800000000, -0.0003758100000000 ] - [ -0.0002656300000000, 0.0004613400000000, -0.0002117700000000 ] - [ -0.0002484600000000, 0.0000475900000000, 0.0000060800000000 ] - [ -0.0003919500000000, 0.0000395100000000, -0.0001268500000000 ] - [ -0.0003985100000000, 0.0003712000000000, -0.0001627200000000 ] - [ -0.0000003400000000, 0.0002738100000000, -0.0001416300000000 ] - [ 0.0000402300000000, -0.0001369000000000, -0.0001577500000000 ] - [ -0.0000943200000000, 0.0001845300000000, 0.0001293400000000 ] - [ 0.0002035200000000, 0.0000556000000000, -0.0003649100000000 ] - [ -0.0000812700000000, 0.0000061700000000, 0.0000088300000000 ] - [ 0.0001145000000000, 0.0001388100000000, 0.0000550700000000 ] - [ 0.0001625400000000, -0.0001903200000000, -0.0001174800000000 ] - [ -0.0003100600000000, 0.0001823400000000, -0.0003909100000000 ] - [ 0.0004650700000000, -0.0002444400000000, -0.0001303200000000 ] - [ 0.0002225800000000, -0.0002327900000000, -0.0004318900000000 ] - [ -0.0001384000000000, -0.0000673800000000, -0.0000889700000000 ] - [ -0.0001682600000000, -0.0002710500000000, -0.0003379100000000 ] - [ 0.0000484400000000, -0.0001900400000000, 0.0002703400000000 ] - [ 0.0002007000000000, -0.0002465500000000, 0.0002050500000000 ] - [ 0.0000720300000000, 0.0001735900000000, -0.0005277500000000 ] - [ 0.0010433700000000, 0.0006532100000000, 0.0000053100000000 ] - [ 0.0001541400000000, -0.0003839600000000, -0.0004201600000000 ] - [ 0.0000051400000000, -0.0002925400000000, 0.0000153100000000 ] - [ -0.0004590500000000, -0.0009826500000000, -0.0001032100000000 ] - [ 0.0002666300000000, 0.0000400200000000, 0.0007099400000000 ] - [ -0.0003862300000000, -0.0000526800000000, 0.0000435300000000 ] - [ 0.0015690700000000, -0.0000678500000000, 0.0016889400000000 ] - [ -0.0001277300000000, 0.0000017600000000, -0.0000154600000000 ] - [ -0.0002243500000000, -0.0002924000000000, 0.0001478600000000 ]- atom: 49 displacement: [ -0.0050000000104457, 0.0086602540318135, 0.0000000000000000 ] forces: - [ -0.0016931100000000, 0.0020360500000000, 0.0002432800000000 ] - [ -0.0005002900000000, 0.0000262000000000, -0.0002271200000000 ] - [ -0.0001711900000000, 0.0027192300000000, -0.0006595200000000 ] - [ -0.0016026500000000, 0.0044506200000000, 0.0017986800000000 ] - [ -0.0000507700000000, -0.0004929500000000, 0.0000932400000000 ] - [ 0.0007515600000000, 0.0001905500000000, -0.0000409800000000 ] - [ 0.0004234700000000, -0.0005407400000000, -0.0002279800000000 ] - [ -0.0002068300000000, -0.0002053200000000, 0.0001169400000000 ] - [ -0.0000239000000000, 0.0005394000000000, -0.0000337400000000 ] - [ 0.0001140000000000, -0.0003041900000000, -0.0001750000000000 ] - [ 0.0002077900000000, -0.0000172300000000, 0.0002511500000000 ] - [ 0.0003120400000000, 0.0000167900000000, 0.0001178800000000 ] - [ 0.0004418300000000, -0.0006140300000000, -0.0003143600000000 ] - [ 0.0003195600000000, 0.0006830300000000, -0.0003435100000000 ] - [ 0.0002014000000000, -0.0001595000000000, 0.0001334000000000 ] - [ 0.0001719700000000, -0.0003412600000000, -0.0001203400000000 ] - [ -0.0000227000000000, 0.0001070100000000, -0.0001703000000000 ] - [ -0.0000586500000000, -0.0002125700000000, 0.0003430600000000 ] - [ -0.0001181200000000, 0.0001465800000000, 0.0003102600000000 ] - [ -0.0001961500000000, -0.0000729200000000, 0.0001339700000000 ] - [ -0.0000840100000000, 0.0000640000000000, -0.0002112000000000 ] - [ -0.0083817400000000, 0.0116363800000000, 0.0056984000000000 ] - [ -0.0016324700000000, -0.0023947200000000, 0.0018483900000000 ] - [ -0.0007260000000000, 0.0021994700000000, -0.0005706800000000 ] - [ 0.0032801600000000, -0.0020265100000000, 0.0023310300000000 ] - [ -0.0000610700000000, 0.0012798200000000, -0.0014357400000000 ] - [ -0.0005886400000000, -0.0008781900000000, -0.0003541200000000 ] - [ -0.0004613500000000, -0.0004426000000000, 0.0003227400000000 ] - [ 0.0008176200000000, -0.0002830200000000, 0.0002725300000000 ] - [ 0.0005387300000000, 0.0007586900000000, 0.0005287200000000 ] - [ 0.0012296600000000, 0.0007689800000000, 0.0003372600000000 ] - [ 0.0017483600000000, -0.0016972400000000, 0.0007161700000000 ] - [ 0.0006255600000000, 0.0006075900000000, 0.0006865300000000 ] - [ -0.0001985700000000, -0.0002999800000000, 0.0002383400000000 ] - [ 0.0009843600000000, -0.0043948900000000, 0.0009706700000000 ] - [ 0.0010971500000000, -0.0010562100000000, 0.0003587800000000 ] - [ -0.0004856500000000, -0.0004172100000000, 0.0004478200000000 ] - [ -0.0003738600000000, -0.0010504200000000, 0.0005546300000000 ] - [ -0.0019045700000000, -0.0018245900000000, -0.0009444600000000 ] - [ -0.0002066000000000, -0.0001591300000000, -0.0001849100000000 ] - [ -0.0005356300000000, -0.0005395500000000, -0.0000350700000000 ] - [ 0.0003770900000000, 0.0013956300000000, 0.0002897400000000 ] - [ 0.0003356000000000, 0.0002152700000000, -0.0000742700000000 ] - [ -0.0005283200000000, 0.0023743300000000, -0.0012318300000000 ] - [ 0.0000964500000000, -0.0008378600000000, -0.0004064100000000 ] - [ -0.0000090300000000, 0.0002368600000000, 0.0000878700000000 ] - [ 0.0015856500000000, 0.0003342500000000, -0.0032109000000000 ] - [ 0.0031069900000000, 0.0008918300000000, 0.0021818000000000 ] - [ 0.0119356700000000, -0.0207263500000000, -0.0082339600000000 ] - [ 0.0013079300000000, -0.0006418000000000, 0.0004478100000000 ] - [ 0.0005926000000000, 0.0006340900000000, -0.0005093100000000 ] - [ 0.0004020200000000, 0.0002483300000000, 0.0000044900000000 ] - [ -0.0022633400000000, 0.0012952200000000, -0.0056909900000000 ] - [ 0.0002436000000000, -0.0001799200000000, -0.0000790200000000 ] - [ 0.0001555800000000, 0.0004268800000000, -0.0004657100000000 ] - [ 0.0002120800000000, -0.0004085300000000, -0.0001322100000000 ] - [ -0.0001448600000000, -0.0003392700000000, 0.0001059500000000 ] - [ -0.0011120100000000, -0.0008072700000000, 0.0018311400000000 ] - [ 0.0002141600000000, -0.0002118600000000, 0.0003123700000000 ] - [ -0.0008454600000000, 0.0005895100000000, -0.0004962000000000 ] - [ -0.0002953700000000, 0.0011673900000000, 0.0005201200000000 ] - [ 0.0003825600000000, 0.0005749100000000, 0.0000343800000000 ] - [ 0.0001832300000000, 0.0000479600000000, -0.0000732900000000 ] - [ -0.0000917700000000, -0.0001340400000000, -0.0002162600000000 ] - [ -0.0005676900000000, 0.0004067900000000, -0.0000739900000000 ] - [ -0.0000139600000000, 0.0005814700000000, 0.0001046300000000 ] - [ -0.0006401600000000, -0.0000147500000000, 0.0001185300000000 ] - [ -0.0002015200000000, 0.0002442900000000, -0.0003917900000000 ] - [ -0.0004230600000000, 0.0002646300000000, 0.0000258500000000 ] - [ -0.0001147400000000, 0.0000424200000000, 0.0000026300000000 ] - [ 0.0004117200000000, 0.0003135300000000, -0.0004109800000000 ] - [ 0.0004301500000000, -0.0001416800000000, 0.0002935100000000 ] - [ 0.0001725600000000, 0.0002235500000000, -0.0001144400000000 ] - [ -0.0004506500000000, -0.0000226400000000, -0.0000409100000000 ] - [ -0.0000648100000000, 0.0004732300000000, 0.0001028200000000 ] - [ 0.0001776200000000, -0.0002340300000000, -0.0000974500000000 ] - [ -0.0003010600000000, -0.0001338100000000, -0.0005356500000000 ] - [ -0.0000884800000000, 0.0000346300000000, -0.0000397700000000 ] - [ 0.0003327900000000, 0.0005590300000000, -0.0000651100000000 ] - [ -0.0000283300000000, 0.0003210400000000, 0.0002006700000000 ] - [ 0.0001756700000000, -0.0000700800000000, -0.0004466800000000 ] - [ -0.0002863600000000, -0.0001909500000000, 0.0001827900000000 ] - [ -0.0005782600000000, -0.0002765200000000, 0.0000414000000000 ] - [ -0.0001993900000000, 0.0002567900000000, -0.0000537300000000 ] - [ -0.0004401800000000, 0.0002987200000000, -0.0004270400000000 ] - [ -0.0004207600000000, -0.0001835500000000, -0.0000502700000000 ] - [ -0.0003344000000000, -0.0002815100000000, -0.0004246000000000 ] - [ -0.0001616100000000, 0.0004653200000000, 0.0000982000000000 ] - [ -0.0003815600000000, 0.0000181800000000, -0.0004181300000000 ] - [ -0.0002397300000000, 0.0000019300000000, 0.0001604300000000 ] - [ -0.0000720200000000, -0.0001251400000000, 0.0004693400000000 ] - [ -0.0002481300000000, 0.0001167200000000, -0.0004052200000000 ] - [ -0.0000020200000000, 0.0000690900000000, -0.0000754300000000 ] - [ -0.0002768100000000, 0.0000359200000000, -0.0005313900000000 ] - [ -0.0002218200000000, 0.0005764400000000, 0.0003441900000000 ] - [ 0.0001169400000000, -0.0007282400000000, -0.0000053700000000 ] - [ 0.0001408000000000, -0.0001145600000000, 0.0000943900000000 ] - [ -0.0010192700000000, 0.0008069000000000, -0.0003310100000000 ] - [ -0.0000180200000000, 0.0000577800000000, -0.0001515900000000 ] - [ -0.0043084300000000, -0.0002550800000000, 0.0061337800000000 ] - [ -0.0005712200000000, -0.0006478800000000, 0.0011666500000000 ] - [ 0.0000508400000000, 0.0002764400000000, -0.0003785200000000 ] - [ -0.0004654800000000, 0.0001826600000000, 0.0000192500000000 ] - [ -0.0000998100000000, 0.0000200600000000, -0.0002238700000000 ] - [ -0.0007922600000000, 0.0005301100000000, -0.0002758300000000 ] - [ -0.0001772500000000, -0.0000754600000000, -0.0000177100000000 ] - [ -0.0006317100000000, 0.0002179400000000, -0.0001613600000000 ] - [ -0.0004033700000000, 0.0001739200000000, -0.0002270600000000 ] - [ 0.0000482000000000, 0.0008526100000000, -0.0001636300000000 ] - [ 0.0002980100000000, 0.0000013600000000, -0.0001610400000000 ] - [ -0.0000712900000000, 0.0002971300000000, 0.0001270900000000 ] - [ 0.0001173100000000, 0.0001638900000000, -0.0003331900000000 ] - [ -0.0002246300000000, 0.0002117000000000, -0.0003105200000000 ] - [ -0.0001431300000000, -0.0000744200000000, 0.0001185500000000 ] - [ 0.0000866500000000, 0.0001876200000000, -0.0001251800000000 ] - [ -0.0001719700000000, 0.0003276600000000, -0.0003725800000000 ] - [ 0.0006125900000000, 0.0003043100000000, -0.0002113800000000 ] - [ -0.0003350500000000, 0.0002469500000000, -0.0003115400000000 ] - [ 0.0001541700000000, 0.0001229500000000, 0.0000544200000000 ] - [ -0.0000414600000000, -0.0001118500000000, -0.0003484900000000 ] - [ 0.0000287500000000, 0.0004124600000000, 0.0003152800000000 ] - [ 0.0003083700000000, -0.0000160700000000, 0.0000862300000000 ] - [ 0.0000246500000000, 0.0002778500000000, -0.0000937400000000 ] - [ 0.0005690300000000, -0.0005456200000000, 0.0004350900000000 ] - [ 0.0005113500000000, 0.0005006400000000, -0.0003425900000000 ] - [ 0.0002334500000000, -0.0002527300000000, -0.0004961700000000 ] - [ 0.0002124200000000, -0.0003458000000000, -0.0001333000000000 ] - [ 0.0003995800000000, -0.0008392300000000, -0.0001233500000000 ] - [ 0.0002584400000000, 0.0003803700000000, -0.0001202000000000 ] - [ 0.0014496900000000, -0.0001904200000000, 0.0016420300000000 ] - [ 0.0000717100000000, 0.0001474600000000, 0.0000077300000000 ] - [ 0.0000166900000000, -0.0000834700000000, -0.0001238300000000 ]- atom: 49 displacement: [ 0.0050000000104457, -0.0086602540318135, 0.0000000000000000 ] forces: - [ 0.0015090900000000, -0.0020994700000000, -0.0000430700000000 ] - [ 0.0004408800000000, -0.0001302100000000, -0.0001017300000000 ] - [ 0.0001212300000000, -0.0026274700000000, 0.0003254800000000 ] - [ 0.0016682700000000, -0.0047762700000000, -0.0013696600000000 ] - [ 0.0001609900000000, 0.0004716200000000, 0.0001624300000000 ] - [ -0.0007893300000000, -0.0000872400000000, 0.0003000100000000 ] - [ -0.0003047700000000, 0.0005413900000000, -0.0001011500000000 ] - [ 0.0001349300000000, 0.0001259700000000, 0.0001166900000000 ] - [ -0.0000331000000000, -0.0006518800000000, -0.0002973100000000 ] - [ -0.0001753900000000, 0.0004137800000000, -0.0001556800000000 ] - [ -0.0002077500000000, 0.0000176300000000, 0.0003354000000000 ] - [ -0.0002070100000000, -0.0000404600000000, 0.0001153600000000 ] - [ -0.0004785700000000, 0.0007199100000000, 0.0005462600000000 ] - [ -0.0001972500000000, -0.0006835000000000, 0.0000116100000000 ] - [ -0.0002741800000000, 0.0000799200000000, 0.0001046500000000 ] - [ -0.0002339000000000, 0.0002357000000000, -0.0002277400000000 ] - [ -0.0000376800000000, -0.0000009800000000, -0.0001779000000000 ] - [ 0.0000584500000000, 0.0002131600000000, 0.0002627600000000 ] - [ 0.0002206000000000, -0.0001654400000000, -0.0000650700000000 ] - [ 0.0001631500000000, 0.0001739400000000, 0.0001061800000000 ] - [ 0.0002099600000000, -0.0000630200000000, -0.0001369900000000 ] - [ 0.0071536800000000, -0.0112331300000000, -0.0055244400000000 ] - [ 0.0018417400000000, 0.0010322700000000, -0.0013410100000000 ] - [ 0.0014791700000000, -0.0012512800000000, 0.0016811300000000 ] - [ -0.0022237200000000, 0.0028789300000000, -0.0018303500000000 ] - [ 0.0005454300000000, -0.0024468200000000, 0.0025477700000000 ] - [ -0.0006230900000000, 0.0010429200000000, 0.0014518400000000 ] - [ -0.0008110200000000, 0.0009357900000000, 0.0002429100000000 ] - [ -0.0006057500000000, -0.0010655900000000, 0.0002948100000000 ] - [ 0.0002236200000000, 0.0002102300000000, 0.0005010100000000 ] - [ -0.0001791300000000, 0.0000956600000000, 0.0002359600000000 ] - [ -0.0012772000000000, 0.0005548000000000, 0.0003139000000000 ] - [ -0.0018358100000000, -0.0004407300000000, 0.0003459500000000 ] - [ -0.0010715600000000, 0.0007980100000000, 0.0003329300000000 ] - [ -0.0007855000000000, 0.0030348600000000, -0.0003953300000000 ] - [ -0.0003547400000000, 0.0020235000000000, 0.0007080400000000 ] - [ 0.0015472100000000, 0.0012708600000000, 0.0001220600000000 ] - [ 0.0008370500000000, -0.0000794400000000, 0.0005128800000000 ] - [ 0.0006996900000000, 0.0020186200000000, 0.0020069600000000 ] - [ 0.0002415900000000, 0.0001044800000000, -0.0001205200000000 ] - [ 0.0003542400000000, 0.0002638700000000, 0.0000521200000000 ] - [ -0.0001519700000000, -0.0012076300000000, -0.0002976200000000 ] - [ -0.0009292300000000, 0.0002192700000000, 0.0000114300000000 ] - [ 0.0003634600000000, -0.0024410500000000, 0.0013246000000000 ] - [ -0.0000926000000000, 0.0002677600000000, 0.0003153200000000 ] - [ -0.0002592600000000, -0.0001331400000000, -0.0001042000000000 ] - [ -0.0016950400000000, -0.0001353200000000, 0.0030972600000000 ] - [ -0.0024399600000000, -0.0006416700000000, -0.0022415200000000 ] - [ -0.0119559400000000, 0.0215507600000000, 0.0090158400000000 ] - [ -0.0008761800000000, 0.0006139600000000, -0.0013657400000000 ] - [ -0.0008975400000000, -0.0008591600000000, 0.0008239000000000 ] - [ -0.0002481800000000, -0.0003472600000000, 0.0001063800000000 ] - [ 0.0024754400000000, -0.0012725200000000, 0.0056481600000000 ] - [ -0.0006053600000000, 0.0006319200000000, -0.0007592000000000 ] - [ -0.0002425800000000, -0.0005964600000000, 0.0003385400000000 ] - [ -0.0004261100000000, -0.0001224200000000, -0.0007078200000000 ] - [ -0.0000115700000000, 0.0006289800000000, -0.0000906700000000 ] - [ 0.0008686900000000, 0.0004572400000000, -0.0027619200000000 ] - [ -0.0002175200000000, 0.0002189600000000, 0.0003440300000000 ] - [ 0.0011928800000000, -0.0007401800000000, 0.0008090200000000 ] - [ 0.0001103400000000, -0.0007853200000000, -0.0014453700000000 ] - [ 0.0001050200000000, -0.0002931600000000, -0.0001196700000000 ] - [ 0.0003859400000000, 0.0000493100000000, -0.0007658000000000 ] - [ 0.0000293500000000, 0.0001260100000000, -0.0000870000000000 ] - [ 0.0004893500000000, -0.0011445400000000, 0.0000125700000000 ] - [ 0.0003399700000000, -0.0005890900000000, -0.0000874300000000 ] - [ 0.0001481600000000, 0.0003002900000000, -0.0002064400000000 ] - [ 0.0002307100000000, -0.0001863000000000, 0.0000891700000000 ] - [ 0.0004287800000000, -0.0000840800000000, 0.0000852800000000 ] - [ 0.0001625100000000, -0.0003226200000000, -0.0000209100000000 ] - [ -0.0003209400000000, -0.0002949900000000, 0.0000886300000000 ] - [ -0.0006250600000000, -0.0001152000000000, -0.0001123200000000 ] - [ 0.0000913700000000, -0.0000994700000000, 0.0002013400000000 ] - [ -0.0001409500000000, 0.0004623700000000, -0.0001373600000000 ] - [ -0.0000698200000000, -0.0005166000000000, 0.0001059200000000 ] - [ -0.0001779200000000, -0.0003362800000000, -0.0001559300000000 ] - [ 0.0000568800000000, 0.0003145400000000, 0.0006315900000000 ] - [ -0.0000149700000000, 0.0001056400000000, -0.0000607400000000 ] - [ 0.0003411200000000, -0.0002717600000000, -0.0001135000000000 ] - [ 0.0000125500000000, 0.0001001200000000, 0.0001639900000000 ] - [ 0.0002319900000000, -0.0000015400000000, -0.0004388900000000 ] - [ -0.0000723600000000, -0.0000389100000000, 0.0001822900000000 ] - [ 0.0006836300000000, 0.0001843300000000, 0.0001662600000000 ] - [ 0.0003785600000000, -0.0002381400000000, -0.0000454100000000 ] - [ 0.0000949100000000, 0.0001382000000000, -0.0004694700000000 ] - [ 0.0003525400000000, 0.0000217000000000, -0.0000489000000000 ] - [ 0.0001245600000000, -0.0002302200000000, -0.0004733300000000 ] - [ 0.0000339000000000, -0.0001771700000000, 0.0000824400000000 ] - [ 0.0001124800000000, -0.0003351700000000, -0.0004638000000000 ] - [ 0.0002375400000000, -0.0000010600000000, 0.0002450000000000 ] - [ 0.0004494300000000, -0.0000701900000000, -0.0001053000000000 ] - [ 0.0001081100000000, 0.0002725800000000, -0.0004804000000000 ] - [ 0.0004933400000000, 0.0002143200000000, -0.0001765600000000 ] - [ 0.0008243000000000, 0.0000457700000000, -0.0003647100000000 ] - [ 0.0001974000000000, -0.0006722200000000, -0.0006690700000000 ] - [ -0.0002011700000000, -0.0000047400000000, -0.0001730800000000 ] - [ 0.0001758600000000, 0.0000844700000000, 0.0000875900000000 ] - [ 0.0005246400000000, -0.0005190900000000, 0.0000779300000000 ] - [ -0.0000455700000000, 0.0000112700000000, -0.0001726100000000 ] - [ 0.0043056000000000, 0.0003593800000000, -0.0058329800000000 ] - [ 0.0005815600000000, 0.0003815800000000, -0.0011373900000000 ] - [ 0.0000165300000000, -0.0002876900000000, 0.0002827100000000 ] - [ 0.0002274400000000, -0.0003882400000000, 0.0000000100000000 ] - [ 0.0003625400000000, 0.0001059400000000, 0.0000842700000000 ] - [ 0.0001982100000000, -0.0000967200000000, 0.0000212100000000 ] - [ 0.0000523800000000, 0.0000388600000000, 0.0000189100000000 ] - [ 0.0006319700000000, -0.0007911100000000, 0.0001263300000000 ] - [ 0.0001608200000000, -0.0000055400000000, 0.0000845300000000 ] - [ -0.0001513000000000, -0.0007080900000000, -0.0000936300000000 ] - [ 0.0003755700000000, 0.0002954400000000, -0.0000946200000000 ] - [ 0.0000568700000000, 0.0001265100000000, 0.0001489300000000 ] - [ 0.0003011900000000, -0.0002103000000000, -0.0003576200000000 ] - [ -0.0001348100000000, -0.0004420600000000, 0.0005834500000000 ] - [ 0.0002386700000000, -0.0000177700000000, -0.0001197000000000 ] - [ 0.0000937300000000, -0.0001667400000000, -0.0001301900000000 ] - [ -0.0001321900000000, 0.0001040100000000, -0.0004118600000000 ] - [ -0.0006790100000000, -0.0004676800000000, -0.0000445700000000 ] - [ 0.0001175200000000, -0.0007326700000000, -0.0004734600000000 ] - [ -0.0002157300000000, 0.0001842500000000, -0.0000364500000000 ] - [ -0.0002097400000000, -0.0002249600000000, -0.0003403900000000 ] - [ -0.0000270700000000, -0.0004141500000000, 0.0001714500000000 ] - [ 0.0000697800000000, -0.0001807800000000, 0.0001884800000000 ] - [ -0.0001928100000000, 0.0001034600000000, -0.0005995000000000 ] - [ -0.0000732400000000, 0.0007811900000000, -0.0004693600000000 ] - [ 0.0000132000000000, -0.0004508400000000, -0.0004425700000000 ] - [ -0.0002738100000000, 0.0001979700000000, 0.0004003600000000 ] - [ -0.0002943700000000, -0.0003905100000000, -0.0001200400000000 ] - [ -0.0001050800000000, 0.0007465200000000, 0.0001428600000000 ] - [ -0.0007506800000000, -0.0000915500000000, 0.0000845300000000 ] - [ -0.0015210300000000, 0.0002643000000000, -0.0017911900000000 ] - [ -0.0000451400000000, -0.0000238500000000, -0.0000075700000000 ] - [ -0.0000399800000000, -0.0002080800000000, -0.0000158500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0032684500000000, 0.0007075200000000, 0.0016011600000000 ] - [ -0.0004942400000000, -0.0005540800000000, 0.0000838400000000 ] - [ 0.0014232000000000, 0.0010729200000000, 0.0012941700000000 ] - [ 0.0005013400000000, -0.0023257300000000, 0.0016017300000000 ] - [ -0.0000259500000000, -0.0002009200000000, 0.0002720700000000 ] - [ 0.0007447300000000, -0.0002311300000000, 0.0004424200000000 ] - [ 0.0002202600000000, -0.0001164100000000, -0.0000357800000000 ] - [ -0.0002147400000000, -0.0000478100000000, 0.0002277200000000 ] - [ -0.0010610900000000, -0.0001238700000000, 0.0002765900000000 ] - [ -0.0000094100000000, 0.0001332200000000, -0.0000861100000000 ] - [ 0.0000993800000000, -0.0000401200000000, 0.0004003900000000 ] - [ 0.0000010200000000, -0.0000456500000000, 0.0001896900000000 ] - [ 0.0009154300000000, -0.0010014100000000, 0.0004057000000000 ] - [ 0.0012175300000000, 0.0005126500000000, 0.0001732600000000 ] - [ 0.0000018500000000, -0.0000656400000000, -0.0001126700000000 ] - [ -0.0000046600000000, -0.0000945400000000, -0.0004675700000000 ] - [ -0.0000052300000000, 0.0000490600000000, -0.0003838100000000 ] - [ 0.0000506100000000, -0.0000483500000000, -0.0000145100000000 ] - [ 0.0001001700000000, -0.0000910700000000, -0.0022181400000000 ] - [ -0.0000629300000000, 0.0000473800000000, -0.0001342900000000 ] - [ -0.0000332900000000, 0.0000343100000000, -0.0007953700000000 ] - [ -0.0032919400000000, 0.0062416800000000, 0.0915954700000000 ] - [ 0.0005573800000000, 0.0037050100000000, 0.0014916700000000 ] - [ 0.0002041400000000, 0.0020810000000000, -0.0096902200000000 ] - [ -0.0020357000000000, 0.0039320100000000, 0.0014862900000000 ] - [ -0.0002667000000000, 0.0005000900000000, -0.0102726600000000 ] - [ -0.0006298800000000, -0.0000792300000000, -0.0018157700000000 ] - [ -0.0006682900000000, 0.0001754100000000, -0.0003068300000000 ] - [ 0.0001148500000000, -0.0006261900000000, -0.0007183600000000 ] - [ 0.0014771200000000, 0.0010262300000000, 0.0009213100000000 ] - [ 0.0008342100000000, 0.0004415600000000, -0.0022878100000000 ] - [ -0.0004118300000000, -0.0001306100000000, 0.0010043200000000 ] - [ -0.0014150000000000, -0.0000788000000000, 0.0008679800000000 ] - [ -0.0005180200000000, 0.0002598600000000, 0.0006529400000000 ] - [ -0.0009977600000000, 0.0034661900000000, 0.0020751900000000 ] - [ 0.0006280900000000, -0.0000112700000000, 0.0010954500000000 ] - [ 0.0007979500000000, 0.0013073400000000, 0.0011131900000000 ] - [ 0.0004666700000000, -0.0007890900000000, 0.0008783900000000 ] - [ -0.0025362900000000, -0.0056751200000000, 0.0019221300000000 ] - [ 0.0002288000000000, -0.0001260000000000, 0.0002604500000000 ] - [ 0.0007024900000000, 0.0000805600000000, -0.0004564700000000 ] - [ -0.0006288200000000, 0.0002454200000000, -0.0021472700000000 ] - [ -0.0006763500000000, 0.0000071100000000, -0.0003259800000000 ] - [ 0.0014918500000000, -0.0049330000000000, 0.0009014400000000 ] - [ 0.0003920200000000, -0.0002498000000000, 0.0015709900000000 ] - [ -0.0000783600000000, -0.0001014400000000, -0.0004190400000000 ] - [ -0.0040381500000000, -0.0104814000000000, -0.0004198900000000 ] - [ 0.0063981100000000, 0.0080435600000000, -0.0016802500000000 ] - [ 0.0061785200000000, -0.0064719500000000, -0.1118752200000000 ] - [ 0.0021108200000000, 0.0016862300000000, 0.0043208900000000 ] - [ 0.0003535400000000, 0.0003582700000000, -0.0017365300000000 ] - [ 0.0001065800000000, 0.0000104400000000, 0.0000719100000000 ] - [ 0.0086829500000000, -0.0076109300000000, -0.0000831400000000 ] - [ -0.0001609200000000, 0.0006476100000000, 0.0023876600000000 ] - [ 0.0001288800000000, -0.0006487800000000, -0.0004460100000000 ] - [ -0.0000603600000000, -0.0002480600000000, 0.0002934900000000 ] - [ -0.0012855800000000, -0.0002020000000000, -0.0005157800000000 ] - [ -0.0025927500000000, 0.0005137700000000, 0.0044566200000000 ] - [ 0.0001651300000000, -0.0004736700000000, 0.0015889700000000 ] - [ -0.0005016000000000, 0.0001379700000000, -0.0017369200000000 ] - [ -0.0002996500000000, 0.0010831400000000, 0.0006323500000000 ] - [ 0.0002798900000000, 0.0002564100000000, 0.0001189900000000 ] - [ 0.0002647300000000, 0.0001260600000000, 0.0003224600000000 ] - [ -0.0002396100000000, 0.0000745300000000, 0.0001542400000000 ] - [ 0.0000466300000000, -0.0007099600000000, -0.0003075500000000 ] - [ 0.0001838400000000, -0.0000485500000000, -0.0001337700000000 ] - [ -0.0004592400000000, 0.0000840000000000, 0.0004516100000000 ] - [ 0.0001087000000000, 0.0000068400000000, 0.0000220800000000 ] - [ -0.0001570200000000, 0.0001718700000000, 0.0000490100000000 ] - [ 0.0001009200000000, -0.0000375300000000, -0.0003294700000000 ] - [ 0.0005704800000000, 0.0003018200000000, -0.0015065200000000 ] - [ 0.0006549800000000, 0.0002368800000000, 0.0003766900000000 ] - [ 0.0004738800000000, -0.0001247500000000, 0.0006621000000000 ] - [ 0.0000443900000000, 0.0001199200000000, 0.0004790100000000 ] - [ 0.0000959900000000, -0.0005240100000000, -0.0002356300000000 ] - [ -0.0000183500000000, -0.0004130800000000, -0.0003297100000000 ] - [ 0.0001772900000000, -0.0000509800000000, 0.0009342300000000 ] - [ -0.0000325100000000, 0.0000830000000000, 0.0000478400000000 ] - [ 0.0003142800000000, 0.0001727300000000, 0.0000363200000000 ] - [ 0.0000009400000000, 0.0002025600000000, 0.0003048800000000 ] - [ 0.0002544900000000, -0.0000544000000000, -0.0009306200000000 ] - [ -0.0000592900000000, -0.0001246700000000, 0.0004032600000000 ] - [ 0.0005634200000000, 0.0000117600000000, -0.0003088500000000 ] - [ -0.0000054500000000, 0.0000831100000000, 0.0000763800000000 ] - [ -0.0002059800000000, 0.0001533000000000, -0.0005508100000000 ] - [ -0.0001220000000000, -0.0000852800000000, 0.0000805800000000 ] - [ -0.0002187700000000, -0.0002019300000000, -0.0005474700000000 ] - [ -0.0001500300000000, 0.0003213300000000, 0.0001057200000000 ] - [ -0.0002574100000000, -0.0001284600000000, -0.0009339400000000 ] - [ 0.0000116900000000, -0.0000139800000000, 0.0002449500000000 ] - [ -0.0002611400000000, 0.0000124700000000, 0.0008625400000000 ] - [ -0.0001463900000000, 0.0002274900000000, -0.0008995800000000 ] - [ 0.0002445100000000, 0.0002363300000000, -0.0002383300000000 ] - [ 0.0006757100000000, -0.0000898100000000, -0.0007026400000000 ] - [ 0.0000777800000000, -0.0004122300000000, -0.0009521100000000 ] - [ -0.0003451000000000, -0.0003446000000000, 0.0006037800000000 ] - [ 0.0000152600000000, -0.0001275400000000, 0.0001267900000000 ] - [ 0.0002869200000000, -0.0002727800000000, -0.0007259800000000 ] - [ -0.0001631000000000, 0.0001269500000000, -0.0004949600000000 ] - [ -0.0118829900000000, 0.0032389400000000, -0.0025976400000000 ] - [ -0.0067556400000000, -0.0047397500000000, 0.0112003900000000 ] - [ -0.0001794400000000, -0.0002985200000000, 0.0005544700000000 ] - [ -0.0001804900000000, -0.0000552000000000, 0.0001872100000000 ] - [ 0.0001887400000000, 0.0000538800000000, 0.0001289200000000 ] - [ 0.0000306000000000, 0.0001284100000000, -0.0000505800000000 ] - [ -0.0000842700000000, 0.0000389500000000, 0.0001172600000000 ] - [ 0.0003198800000000, -0.0004542000000000, 0.0001074500000000 ] - [ 0.0001740800000000, 0.0000539000000000, 0.0003828200000000 ] - [ -0.0001475900000000, -0.0004412800000000, -0.0001317900000000 ] - [ 0.0004518900000000, 0.0002526300000000, -0.0000981700000000 ] - [ -0.0000263700000000, 0.0002216200000000, 0.0002613000000000 ] - [ 0.0001737200000000, 0.0000339900000000, -0.0001386800000000 ] - [ -0.0001398100000000, -0.0004699000000000, 0.0008215000000000 ] - [ -0.0003923400000000, -0.0000969900000000, 0.0006295800000000 ] - [ 0.0001219100000000, -0.0000813200000000, -0.0001580000000000 ] - [ -0.0001790700000000, 0.0002639000000000, -0.0003786400000000 ] - [ -0.0004211500000000, -0.0007098300000000, -0.0002809200000000 ] - [ -0.0006129200000000, 0.0007600100000000, -0.0004683400000000 ] - [ -0.0000214200000000, 0.0001719400000000, 0.0005540800000000 ] - [ -0.0001396800000000, -0.0001342600000000, -0.0001551500000000 ] - [ -0.0000953100000000, 0.0003989700000000, -0.0000394200000000 ] - [ 0.0001888700000000, -0.0001830900000000, 0.0003598700000000 ] - [ 0.0001550400000000, 0.0006185900000000, 0.0005691400000000 ] - [ 0.0005233600000000, 0.0092232600000000, 0.0015570900000000 ] - [ 0.0005997100000000, 0.0007385000000000, -0.0003169600000000 ] - [ -0.0002106200000000, -0.0003416700000000, 0.0008901100000000 ] - [ -0.0006977900000000, -0.0011180100000000, -0.0001278500000000 ] - [ -0.0000967000000000, 0.0003879300000000, 0.0020028700000000 ] - [ -0.0005204100000000, -0.0000404200000000, 0.0000896900000000 ] - [ 0.0082280000000000, -0.0010483900000000, 0.0105291100000000 ] - [ 0.0001324900000000, 0.0000441600000000, 0.0001340300000000 ] - [ -0.0001312500000000, -0.0002450100000000, 0.0001543000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0031131500000000, -0.0007723100000000, -0.0013969300000000 ] - [ 0.0004309100000000, 0.0004459000000000, -0.0004163600000000 ] - [ -0.0013898700000000, -0.0008765800000000, -0.0016997000000000 ] - [ -0.0004777400000000, 0.0022224300000000, -0.0010511800000000 ] - [ 0.0001338500000000, 0.0001774200000000, -0.0000145700000000 ] - [ -0.0007750400000000, 0.0003329400000000, -0.0001862400000000 ] - [ -0.0000979500000000, 0.0001147100000000, -0.0002947000000000 ] - [ 0.0001427700000000, -0.0000346400000000, 0.0000094200000000 ] - [ 0.0010010100000000, 0.0000143400000000, -0.0005969600000000 ] - [ -0.0000534900000000, -0.0000265900000000, -0.0002428300000000 ] - [ -0.0000988200000000, 0.0000396300000000, 0.0001953100000000 ] - [ 0.0001054500000000, 0.0000249100000000, 0.0000473000000000 ] - [ -0.0009472000000000, 0.0010996800000000, -0.0001609100000000 ] - [ -0.0010899400000000, -0.0005084200000000, -0.0004958700000000 ] - [ -0.0000714800000000, -0.0000148500000000, 0.0003509300000000 ] - [ -0.0000543300000000, -0.0000145300000000, 0.0001162300000000 ] - [ -0.0000550000000000, 0.0000564400000000, 0.0000335700000000 ] - [ -0.0000499900000000, 0.0000464800000000, 0.0006248200000000 ] - [ 0.0000066700000000, 0.0000627500000000, 0.0024438200000000 ] - [ 0.0000258500000000, 0.0000530800000000, 0.0003743300000000 ] - [ 0.0001547300000000, -0.0000348700000000, 0.0004426700000000 ] - [ 0.0018127600000000, -0.0052829000000000, -0.0859662100000000 ] - [ -0.0003659500000000, -0.0050558400000000, -0.0009678700000000 ] - [ 0.0005634400000000, -0.0010682600000000, 0.0107345900000000 ] - [ 0.0031115700000000, -0.0030802600000000, -0.0009608200000000 ] - [ 0.0007036100000000, -0.0016086000000000, 0.0113120000000000 ] - [ -0.0005828900000000, 0.0002413400000000, 0.0028988800000000 ] - [ -0.0006105800000000, 0.0003161200000000, 0.0008422400000000 ] - [ 0.0000880600000000, -0.0007261600000000, 0.0012547600000000 ] - [ -0.0007243900000000, -0.0000509800000000, 0.0001200500000000 ] - [ 0.0002416100000000, 0.0004161200000000, 0.0028162200000000 ] - [ 0.0008815800000000, -0.0010022300000000, 0.0000387800000000 ] - [ 0.0002016100000000, 0.0002333000000000, 0.0001755800000000 ] - [ -0.0007500800000000, 0.0002408600000000, -0.0001056300000000 ] - [ 0.0011890200000000, -0.0047905000000000, -0.0015362000000000 ] - [ 0.0001112200000000, 0.0009695400000000, -0.0000038200000000 ] - [ 0.0002687500000000, -0.0004533900000000, -0.0005651600000000 ] - [ 0.0000031300000000, -0.0003359900000000, 0.0002103600000000 ] - [ 0.0013124200000000, 0.0058052700000000, -0.0007972700000000 ] - [ -0.0001931300000000, 0.0000678100000000, -0.0005565700000000 ] - [ -0.0008716400000000, -0.0003550200000000, 0.0004716300000000 ] - [ 0.0008428600000000, -0.0000798100000000, 0.0021204800000000 ] - [ 0.0000813500000000, 0.0004265900000000, 0.0002593300000000 ] - [ -0.0016548800000000, 0.0048400900000000, -0.0007771500000000 ] - [ -0.0003950900000000, -0.0003157000000000, -0.0016469900000000 ] - [ -0.0001883700000000, 0.0002043200000000, 0.0004029500000000 ] - [ 0.0038945400000000, 0.0105358600000000, 0.0002320900000000 ] - [ -0.0056645800000000, -0.0076980800000000, 0.0015249600000000 ] - [ -0.0059885000000000, 0.0064415900000000, 0.1073033100000000 ] - [ -0.0016818700000000, -0.0017237900000000, -0.0052106400000000 ] - [ -0.0006481400000000, -0.0005724400000000, 0.0020283300000000 ] - [ 0.0000527900000000, -0.0001071300000000, 0.0000390800000000 ] - [ -0.0084120200000000, 0.0075580300000000, -0.0001013000000000 ] - [ -0.0001980300000000, -0.0002036600000000, -0.0032192900000000 ] - [ -0.0002111900000000, 0.0004813500000000, 0.0003129300000000 ] - [ -0.0001465300000000, -0.0002957800000000, -0.0011250500000000 ] - [ 0.0011182900000000, 0.0004816900000000, 0.0005311500000000 ] - [ 0.0023530000000000, -0.0008751300000000, -0.0053450700000000 ] - [ -0.0001629200000000, 0.0004622500000000, -0.0009255400000000 ] - [ 0.0008337000000000, -0.0002791000000000, 0.0020280100000000 ] - [ 0.0001100600000000, -0.0006859900000000, -0.0015358400000000 ] - [ 0.0002078800000000, 0.0000294500000000, -0.0002004500000000 ] - [ 0.0003050600000000, -0.0000419600000000, -0.0011527600000000 ] - [ 0.0001746800000000, -0.0000819000000000, -0.0004512500000000 ] - [ -0.0001269300000000, -0.0000267000000000, 0.0002428100000000 ] - [ 0.0001409300000000, 0.0000448600000000, 0.0001496400000000 ] - [ -0.0000274200000000, 0.0001968800000000, -0.0005335600000000 ] - [ -0.0000774900000000, 0.0000535100000000, -0.0003199100000000 ] - [ 0.0001564900000000, 0.0000119300000000, 0.0000623200000000 ] - [ -0.0000542300000000, -0.0002408100000000, 0.0003117900000000 ] - [ -0.0004747600000000, -0.0002827900000000, 0.0011746500000000 ] - [ -0.0008420500000000, -0.0004920500000000, -0.0001971600000000 ] - [ -0.0002083900000000, 0.0002468700000000, -0.0005718700000000 ] - [ -0.0006262200000000, 0.0003193100000000, -0.0006543400000000 ] - [ -0.0002298700000000, 0.0004765000000000, 0.0004398000000000 ] - [ 0.0000215600000000, -0.0001580500000000, 0.0000766400000000 ] - [ -0.0004155300000000, 0.0002188500000000, -0.0008483600000000 ] - [ -0.0000709300000000, 0.0000590800000000, -0.0001436000000000 ] - [ 0.0003608900000000, 0.0001184400000000, -0.0002142800000000 ] - [ -0.0000171200000000, 0.0002210900000000, 0.0000595700000000 ] - [ 0.0001526500000000, -0.0000166700000000, 0.0000407300000000 ] - [ -0.0003001500000000, -0.0001074800000000, -0.0000396500000000 ] - [ -0.0004578400000000, -0.0001044200000000, 0.0005106700000000 ] - [ 0.0001820100000000, -0.0000607300000000, -0.0001705500000000 ] - [ -0.0001388400000000, 0.0002851000000000, -0.0003468600000000 ] - [ 0.0000514600000000, -0.0000780400000000, -0.0001749700000000 ] - [ 0.0000071400000000, -0.0003121700000000, -0.0003511500000000 ] - [ 0.0000197500000000, -0.0000327500000000, 0.0000732100000000 ] - [ -0.0000107900000000, -0.0001881900000000, 0.0000463600000000 ] - [ -0.0000132700000000, 0.0000148800000000, 0.0001607800000000 ] - [ 0.0006367100000000, -0.0002074900000000, -0.0004986600000000 ] - [ 0.0000052400000000, 0.0001603000000000, 0.0000094000000000 ] - [ 0.0002446800000000, 0.0000497500000000, -0.0000127900000000 ] - [ -0.0001231000000000, 0.0001709800000000, -0.0001950100000000 ] - [ -0.0001041100000000, 0.0003120800000000, 0.0006228400000000 ] - [ 0.0002512600000000, -0.0003888400000000, -0.0007779100000000 ] - [ 0.0002993100000000, 0.0000979400000000, 0.0000534300000000 ] - [ -0.0007748300000000, 0.0005506500000000, 0.0004736700000000 ] - [ 0.0000987600000000, -0.0000548300000000, 0.0001694200000000 ] - [ 0.0117759900000000, -0.0030744500000000, 0.0026873300000000 ] - [ 0.0066459900000000, 0.0043958800000000, -0.0109934100000000 ] - [ 0.0002486600000000, 0.0002851000000000, -0.0006511600000000 ] - [ -0.0000559800000000, -0.0001505600000000, -0.0001654600000000 ] - [ 0.0000745700000000, 0.0000707800000000, -0.0002615700000000 ] - [ -0.0006255100000000, 0.0003039000000000, -0.0002019900000000 ] - [ -0.0000418600000000, -0.0000805100000000, -0.0001168300000000 ] - [ -0.0003203500000000, -0.0001180300000000, -0.0001431600000000 ] - [ -0.0004149500000000, 0.0001163200000000, -0.0005140100000000 ] - [ 0.0000420500000000, 0.0005819400000000, -0.0001210300000000 ] - [ 0.0002229700000000, 0.0000471500000000, -0.0001559900000000 ] - [ 0.0000102500000000, 0.0002040500000000, 0.0000168200000000 ] - [ 0.0002428700000000, -0.0000779700000000, -0.0005530500000000 ] - [ -0.0002223100000000, 0.0002368900000000, -0.0005385400000000 ] - [ 0.0004831500000000, 0.0000069700000000, -0.0006265900000000 ] - [ 0.0000580700000000, 0.0001029800000000, -0.0000933200000000 ] - [ -0.0001272800000000, 0.0001689200000000, -0.0004069300000000 ] - [ 0.0003487200000000, 0.0005419600000000, 0.0000299200000000 ] - [ 0.0003883400000000, -0.0012332000000000, -0.0003208200000000 ] - [ -0.0000498400000000, 0.0001254200000000, -0.0005306800000000 ] - [ -0.0001103400000000, -0.0002025400000000, -0.0005350900000000 ] - [ 0.0000947200000000, -0.0003974300000000, 0.0005215900000000 ] - [ 0.0001915000000000, -0.0000138000000000, -0.0000822600000000 ] - [ -0.0003197500000000, -0.0002302400000000, -0.0012602500000000 ] - [ -0.0000271900000000, -0.0088208800000000, -0.0015830500000000 ] - [ -0.0000707700000000, -0.0006807700000000, -0.0004687500000000 ] - [ 0.0001672800000000, 0.0002733600000000, -0.0009925700000000 ] - [ 0.0006179600000000, 0.0003780600000000, -0.0001240800000000 ] - [ 0.0003951700000000, -0.0004735500000000, -0.0019694300000000 ] - [ 0.0000272800000000, 0.0003274000000000, -0.0001254100000000 ] - [ -0.0081519700000000, 0.0011046900000000, -0.0105137400000000 ] - [ -0.0001061600000000, 0.0000823900000000, -0.0001335900000000 ] - [ 0.0001079800000000, -0.0000461300000000, -0.0002890200000000 ]- atom: 50 displacement: [ 0.0100000000000000, 0.0000000000065404, 0.0000000000000000 ] forces: - [ 0.0023287700000000, -0.0013406900000000, -0.0004127100000000 ] - [ 0.0033776600000000, 0.0009839100000000, -0.0004469500000000 ] - [ -0.0002750600000000, -0.0006471700000000, -0.0003681500000000 ] - [ 0.0041001100000000, -0.0006761900000000, 0.0017333200000000 ] - [ 0.0003472700000000, 0.0003509900000000, 0.0000437000000000 ] - [ -0.0006675100000000, -0.0000067700000000, 0.0000524600000000 ] - [ -0.0002797500000000, 0.0003303700000000, -0.0002082000000000 ] - [ 0.0000020500000000, -0.0000729100000000, 0.0001401700000000 ] - [ -0.0002464200000000, -0.0001960000000000, -0.0001351700000000 ] - [ -0.0000481800000000, 0.0002648900000000, -0.0001364900000000 ] - [ -0.0001574600000000, 0.0001475300000000, 0.0003440400000000 ] - [ -0.0002882100000000, -0.0000439100000000, 0.0001886800000000 ] - [ 0.0001181000000000, 0.0001428700000000, 0.0001261000000000 ] - [ 0.0002763700000000, 0.0000705400000000, 0.0001634800000000 ] - [ -0.0004240900000000, 0.0000284500000000, 0.0001123700000000 ] - [ -0.0000967500000000, 0.0001702000000000, -0.0001778000000000 ] - [ -0.0008167200000000, -0.0000143800000000, -0.0006492300000000 ] - [ -0.0001098800000000, -0.0001740600000000, 0.0002519200000000 ] - [ 0.0005763000000000, -0.0004430800000000, 0.0002236800000000 ] - [ 0.0004996400000000, -0.0004486000000000, -0.0000902200000000 ] - [ -0.0000530300000000, -0.0002562500000000, -0.0001676000000000 ] - [ 0.0009685400000000, -0.0006186200000000, -0.0010008600000000 ] - [ 0.0021116100000000, -0.0004379500000000, -0.0002406400000000 ] - [ 0.0151002200000000, 0.0015096800000000, 0.0010887500000000 ] - [ -0.0005120400000000, 0.0009415700000000, -0.0005123500000000 ] - [ -0.0036399100000000, -0.0009862300000000, 0.0030600700000000 ] - [ -0.0015266600000000, 0.0022128300000000, 0.0023074900000000 ] - [ -0.0007045000000000, 0.0010373300000000, 0.0003070200000000 ] - [ -0.0016375200000000, -0.0006029000000000, 0.0001356600000000 ] - [ -0.0003904600000000, 0.0004550900000000, 0.0004677400000000 ] - [ -0.0003039400000000, 0.0023998200000000, -0.0014592100000000 ] - [ -0.0000945100000000, 0.0008238600000000, 0.0006445100000000 ] - [ -0.0042427300000000, 0.0014357600000000, 0.0010632300000000 ] - [ -0.0025029100000000, -0.0005149900000000, 0.0004795000000000 ] - [ 0.0003829500000000, -0.0007730800000000, 0.0002715600000000 ] - [ -0.0002792000000000, 0.0006067400000000, 0.0006185400000000 ] - [ 0.0004072300000000, -0.0009345900000000, 0.0004321800000000 ] - [ 0.0001285800000000, -0.0013750800000000, 0.0007067300000000 ] - [ -0.0006435000000000, -0.0007256500000000, 0.0006182300000000 ] - [ 0.0009270800000000, -0.0009007100000000, 0.0002034800000000 ] - [ 0.0023471500000000, -0.0010666200000000, -0.0011355600000000 ] - [ 0.0000121200000000, 0.0001945000000000, -0.0000921100000000 ] - [ -0.0008693000000000, 0.0004731700000000, -0.0005353600000000 ] - [ -0.0005276600000000, 0.0001893000000000, 0.0001877300000000 ] - [ -0.0008656500000000, -0.0026588100000000, 0.0023817300000000 ] - [ -0.0001411700000000, 0.0003053300000000, -0.0000690600000000 ] - [ -0.0004922100000000, -0.0001457100000000, 0.0001823200000000 ] - [ 0.0004114200000000, 0.0005521500000000, 0.0000893400000000 ] - [ -0.0001919300000000, 0.0013487100000000, 0.0020558500000000 ] - [ -0.0253783900000000, -0.0023731200000000, -0.0012828500000000 ] - [ -0.0013192100000000, -0.0006398200000000, 0.0007885400000000 ] - [ -0.0000619500000000, 0.0006908700000000, 0.0000318300000000 ] - [ 0.0001237200000000, 0.0000757600000000, 0.0001904900000000 ] - [ 0.0042658600000000, 0.0038100700000000, -0.0075759400000000 ] - [ -0.0003515300000000, -0.0002857600000000, 0.0001662900000000 ] - [ -0.0008481600000000, -0.0030788900000000, -0.0037253200000000 ] - [ 0.0003190800000000, 0.0004123000000000, -0.0000202800000000 ] - [ 0.0009507500000000, 0.0003013600000000, -0.0009553200000000 ] - [ -0.0009451700000000, -0.0000940500000000, -0.0002652900000000 ] - [ 0.0011212300000000, -0.0003909500000000, 0.0010249300000000 ] - [ 0.0001859600000000, -0.0007408600000000, -0.0010268900000000 ] - [ -0.0000176200000000, -0.0004709100000000, -0.0000994800000000 ] - [ 0.0005728900000000, -0.0003509100000000, -0.0008026700000000 ] - [ 0.0001863000000000, 0.0000395500000000, -0.0001006600000000 ] - [ 0.0002548700000000, -0.0007173900000000, 0.0000211700000000 ] - [ 0.0002290100000000, -0.0004516400000000, -0.0000441900000000 ] - [ 0.0007219900000000, 0.0002493400000000, -0.0001042400000000 ] - [ 0.0001324400000000, -0.0001875800000000, -0.0000058600000000 ] - [ 0.0006324000000000, -0.0000293300000000, 0.0001703100000000 ] - [ 0.0003188900000000, -0.0000413900000000, -0.0002651200000000 ] - [ 0.0001401200000000, 0.0002185000000000, -0.0003281900000000 ] - [ -0.0001016900000000, 0.0000172600000000, 0.0000606700000000 ] - [ -0.0001982800000000, -0.0000554000000000, -0.0004071200000000 ] - [ 0.0004602800000000, 0.0004716700000000, -0.0001958200000000 ] - [ -0.0001687000000000, -0.0001502400000000, 0.0001238000000000 ] - [ -0.0001100000000000, -0.0001842300000000, -0.0001668000000000 ] - [ 0.0001612800000000, -0.0001143200000000, -0.0003242100000000 ] - [ 0.0000370800000000, 0.0000219400000000, -0.0000510000000000 ] - [ 0.0002800600000000, -0.0003558100000000, -0.0001630000000000 ] - [ -0.0000015900000000, 0.0001079400000000, 0.0001469800000000 ] - [ 0.0003104800000000, -0.0000273800000000, -0.0004754400000000 ] - [ 0.0000224700000000, -0.0001254300000000, 0.0001592600000000 ] - [ 0.0004424500000000, 0.0001236900000000, 0.0001012700000000 ] - [ 0.0004522800000000, -0.0004465400000000, -0.0000111600000000 ] - [ -0.0000318200000000, 0.0001227000000000, -0.0004707500000000 ] - [ 0.0005734500000000, -0.0000858000000000, 0.0000731600000000 ] - [ 0.0005194800000000, -0.0006011200000000, -0.0005164800000000 ] - [ -0.0000046100000000, 0.0000616200000000, 0.0000878600000000 ] - [ -0.0001173600000000, -0.0003163100000000, -0.0005262700000000 ] - [ 0.0002893300000000, -0.0003781900000000, 0.0002043600000000 ] - [ 0.0002099400000000, -0.0002181700000000, 0.0004311000000000 ] - [ 0.0002349600000000, 0.0000794700000000, -0.0008906800000000 ] - [ 0.0007281500000000, 0.0003501100000000, -0.0002532100000000 ] - [ 0.0003758700000000, -0.0006894800000000, -0.0005159800000000 ] - [ 0.0000189000000000, -0.0001076700000000, -0.0002230900000000 ] - [ -0.0010309100000000, -0.0002156700000000, 0.0003801600000000 ] - [ 0.0002272400000000, 0.0001723500000000, 0.0001905000000000 ] - [ -0.0003623800000000, -0.0002024900000000, -0.0001380900000000 ] - [ 0.0001965100000000, 0.0002376000000000, -0.0003585200000000 ] - [ -0.0008832400000000, 0.0001962700000000, -0.0001999900000000 ] - [ -0.0004394900000000, -0.0006207700000000, 0.0007101900000000 ] - [ 0.0001791600000000, -0.0001080200000000, -0.0002140700000000 ] - [ 0.0003204000000000, -0.0004025800000000, 0.0000166100000000 ] - [ 0.0007763400000000, -0.0000302000000000, 0.0004449500000000 ] - [ -0.0003412100000000, 0.0000211600000000, -0.0000917700000000 ] - [ 0.0002725600000000, -0.0001322300000000, -0.0000009900000000 ] - [ 0.0004005800000000, -0.0004998200000000, 0.0000227500000000 ] - [ -0.0000180600000000, -0.0003721900000000, -0.0002543200000000 ] - [ 0.0001300200000000, 0.0003141800000000, -0.0001217500000000 ] - [ 0.0014007300000000, 0.0004833500000000, -0.0003182600000000 ] - [ 0.0002724500000000, 0.0003404300000000, 0.0001871300000000 ] - [ 0.0003149200000000, -0.0000586600000000, -0.0003468300000000 ] - [ -0.0001991300000000, -0.0000703100000000, 0.0001727200000000 ] - [ -0.0002518800000000, -0.0004754600000000, 0.0001922100000000 ] - [ 0.0002511100000000, 0.0003955300000000, -0.0001785600000000 ] - [ 0.0001673900000000, 0.0003254600000000, -0.0003839700000000 ] - [ 0.0000738500000000, 0.0000895600000000, -0.0001209800000000 ] - [ -0.0001389900000000, -0.0001946700000000, -0.0003949900000000 ] - [ 0.0016699100000000, 0.0039801500000000, 0.0069551700000000 ] - [ -0.0000317700000000, 0.0000703500000000, -0.0000731400000000 ] - [ 0.0001248500000000, 0.0001748500000000, 0.0001989900000000 ] - [ 0.0002104100000000, 0.0000910000000000, 0.0002029700000000 ] - [ -0.0000846900000000, 0.0003399800000000, -0.0003821200000000 ] - [ 0.0001356300000000, 0.0004719200000000, 0.0000094400000000 ] - [ 0.0003273300000000, 0.0003656900000000, -0.0003935700000000 ] - [ -0.0002429100000000, -0.0000220100000000, 0.0001711300000000 ] - [ 0.0000171800000000, -0.0000922600000000, -0.0000570900000000 ] - [ 0.0004079900000000, 0.0007100500000000, -0.0000185000000000 ] - [ -0.0006473200000000, 0.0001461000000000, 0.0000392100000000 ] - [ -0.0001428900000000, 0.0002832900000000, -0.0006695100000000 ] - [ -0.0000571400000000, 0.0001203200000000, -0.0000004100000000 ] - [ -0.0000147800000000, -0.0001923300000000, -0.0000093000000000 ]- atom: 50 displacement: [ -0.0100000000000000, -0.0000000000065404, 0.0000000000000000 ] forces: - [ -0.0023916900000000, 0.0012645100000000, 0.0006777900000000 ] - [ -0.0035422500000000, -0.0012081800000000, 0.0001952600000000 ] - [ 0.0002188400000000, 0.0007483600000000, 0.0000389200000000 ] - [ -0.0038436800000000, 0.0005908100000000, -0.0009798100000000 ] - [ -0.0002380900000000, -0.0003748300000000, 0.0002128300000000 ] - [ 0.0006316600000000, 0.0001114100000000, 0.0002054900000000 ] - [ 0.0004001900000000, -0.0003293900000000, -0.0001203900000000 ] - [ -0.0000757700000000, -0.0000080800000000, 0.0000931700000000 ] - [ 0.0001848600000000, 0.0000857200000000, -0.0001954100000000 ] - [ -0.0000121700000000, -0.0001558800000000, -0.0001940100000000 ] - [ 0.0001565500000000, -0.0001478400000000, 0.0002416800000000 ] - [ 0.0003937300000000, 0.0000206600000000, 0.0000439400000000 ] - [ -0.0001521000000000, -0.0000372600000000, 0.0001081400000000 ] - [ -0.0001535600000000, -0.0000705700000000, -0.0005011000000000 ] - [ 0.0003522300000000, -0.0001068300000000, 0.0001259200000000 ] - [ 0.0000356800000000, -0.0002755200000000, -0.0001709800000000 ] - [ 0.0007553300000000, 0.0001202200000000, 0.0003039400000000 ] - [ 0.0001106700000000, 0.0001742400000000, 0.0003531200000000 ] - [ -0.0004671600000000, 0.0004234400000000, 0.0000149100000000 ] - [ -0.0005358900000000, 0.0005460000000000, 0.0003308900000000 ] - [ 0.0001774500000000, 0.0002553900000000, -0.0001813900000000 ] - [ -0.0022130900000000, 0.0011238600000000, 0.0014901600000000 ] - [ -0.0019023800000000, -0.0009242400000000, 0.0007323800000000 ] - [ -0.0143314200000000, -0.0005490600000000, 0.0003426100000000 ] - [ 0.0015801100000000, -0.0000896400000000, 0.0010180800000000 ] - [ 0.0041079400000000, -0.0001574200000000, -0.0019575100000000 ] - [ 0.0003359800000000, -0.0020522000000000, -0.0012130100000000 ] - [ -0.0005730000000000, -0.0005474500000000, 0.0002596000000000 ] - [ 0.0018417400000000, -0.0007474200000000, 0.0004344400000000 ] - [ 0.0011478000000000, 0.0005092200000000, 0.0005644000000000 ] - [ 0.0013366200000000, -0.0015281600000000, 0.0020349200000000 ] - [ 0.0005572000000000, -0.0019685700000000, 0.0003894500000000 ] - [ 0.0030475300000000, -0.0012799600000000, -0.0000312100000000 ] - [ 0.0012407200000000, 0.0010207900000000, 0.0000934800000000 ] - [ -0.0001842700000000, -0.0005671400000000, 0.0003045400000000 ] - [ 0.0010276300000000, 0.0003587100000000, 0.0004510500000000 ] - [ 0.0006567500000000, 0.0017868100000000, 0.0001417100000000 ] - [ 0.0003300600000000, 0.0002413200000000, 0.0003564800000000 ] - [ -0.0005591700000000, 0.0008923700000000, 0.0004525400000000 ] - [ -0.0008945400000000, 0.0008557200000000, -0.0005163400000000 ] - [ -0.0025483600000000, 0.0008010400000000, 0.0011672900000000 ] - [ 0.0002064500000000, -0.0000138600000000, 0.0000747300000000 ] - [ 0.0002805600000000, -0.0000390400000000, 0.0004770800000000 ] - [ 0.0003650400000000, -0.0002788100000000, -0.0000773200000000 ] - [ 0.0009045100000000, 0.0020611500000000, -0.0024678000000000 ] - [ -0.0001268800000000, -0.0002013000000000, 0.0000538600000000 ] - [ 0.0003865000000000, 0.0002998800000000, -0.0003110700000000 ] - [ 0.0002597600000000, -0.0002572300000000, -0.0001531300000000 ] - [ 0.0001507800000000, -0.0009763100000000, -0.0017366300000000 ] - [ 0.0255913800000000, 0.0025423300000000, -0.0000960700000000 ] - [ 0.0010179800000000, 0.0004188900000000, -0.0004807100000000 ] - [ 0.0002188200000000, -0.0007907900000000, 0.0000771500000000 ] - [ 0.0000592000000000, -0.0000557500000000, -0.0003190800000000 ] - [ -0.0045944300000000, -0.0032957400000000, 0.0066243300000000 ] - [ 0.0002629300000000, 0.0001156000000000, -0.0002951300000000 ] - [ 0.0005908900000000, 0.0025667800000000, 0.0028763000000000 ] - [ -0.0004723100000000, -0.0001222800000000, 0.0000343900000000 ] - [ -0.0011934900000000, -0.0006541600000000, 0.0000340100000000 ] - [ 0.0009245900000000, 0.0000961500000000, 0.0009226400000000 ] - [ -0.0007728200000000, 0.0002407600000000, -0.0007120800000000 ] - [ -0.0003746000000000, 0.0011285400000000, 0.0001043400000000 ] - [ 0.0005060700000000, 0.0007571700000000, 0.0000144600000000 ] - [ -0.0000063400000000, 0.0004398100000000, -0.0000368400000000 ] - [ -0.0002473300000000, -0.0000470300000000, -0.0002027700000000 ] - [ -0.0003345900000000, -0.0000190400000000, -0.0000834100000000 ] - [ 0.0000972900000000, 0.0004447500000000, 0.0000611100000000 ] - [ -0.0012108900000000, 0.0000354100000000, 0.0000164900000000 ] - [ -0.0001020200000000, 0.0002457500000000, -0.0002969700000000 ] - [ -0.0006284000000000, 0.0002091900000000, -0.0000593800000000 ] - [ -0.0002719800000000, -0.0002396900000000, 0.0002477500000000 ] - [ -0.0000483400000000, -0.0001967300000000, 0.0000021900000000 ] - [ -0.0000901700000000, -0.0002716500000000, 0.0001216400000000 ] - [ 0.0004618900000000, 0.0001817600000000, 0.0004962600000000 ] - [ -0.0010470600000000, -0.0000322300000000, 0.0000183900000000 ] - [ 0.0000350500000000, 0.0001096200000000, 0.0000851500000000 ] - [ 0.0001111000000000, -0.0003851900000000, -0.0000866700000000 ] - [ -0.0004050800000000, 0.0002908900000000, 0.0004149900000000 ] - [ -0.0001385800000000, 0.0001208400000000, -0.0000506500000000 ] - [ 0.0003941400000000, 0.0006455600000000, -0.0000153000000000 ] - [ -0.0000130900000000, 0.0003133400000000, 0.0002174400000000 ] - [ 0.0000989100000000, -0.0000436000000000, -0.0004101700000000 ] - [ -0.0003794300000000, -0.0001039700000000, 0.0002051700000000 ] - [ -0.0003388900000000, -0.0002174500000000, 0.0001065200000000 ] - [ -0.0002708400000000, 0.0004632700000000, -0.0000887500000000 ] - [ -0.0003102800000000, 0.0003155200000000, -0.0004252700000000 ] - [ -0.0006365600000000, -0.0000744600000000, -0.0001742800000000 ] - [ -0.0007300800000000, 0.0000900800000000, -0.0003808300000000 ] - [ -0.0001243300000000, 0.0002265400000000, 0.0000929500000000 ] - [ -0.0001513500000000, -0.0000004300000000, -0.0003563500000000 ] - [ -0.0002901200000000, 0.0003814400000000, 0.0002017900000000 ] - [ 0.0001677000000000, 0.0000220800000000, -0.0000645900000000 ] - [ -0.0003758500000000, 0.0003113000000000, 0.0000080900000000 ] - [ -0.0002380600000000, -0.0000676600000000, 0.0000015200000000 ] - [ 0.0001751500000000, 0.0007758600000000, -0.0003800800000000 ] - [ -0.0000426600000000, 0.0000102600000000, -0.0001045200000000 ] - [ 0.0009691900000000, -0.0005289800000000, -0.0005572200000000 ] - [ 0.0000907600000000, -0.0002012400000000, -0.0000073100000000 ] - [ -0.0001282400000000, 0.0004866000000000, -0.0001155900000000 ] - [ -0.0002608000000000, -0.0001698500000000, 0.0000358900000000 ] - [ 0.0009096100000000, -0.0000638400000000, 0.0004095600000000 ] - [ 0.0003885400000000, 0.0002847100000000, -0.0005693100000000 ] - [ -0.0001145900000000, 0.0000960100000000, 0.0001207100000000 ] - [ -0.0005618700000000, 0.0001976300000000, 0.0000020600000000 ] - [ -0.0005141200000000, 0.0001564600000000, -0.0005862700000000 ] - [ -0.0002513800000000, 0.0004117700000000, -0.0001626500000000 ] - [ -0.0003963000000000, 0.0000949800000000, 0.0000018700000000 ] - [ -0.0004014200000000, -0.0000729900000000, -0.0000582000000000 ] - [ -0.0002217300000000, 0.0005395700000000, 0.0001101500000000 ] - [ -0.0002344600000000, -0.0001734500000000, -0.0001367000000000 ] - [ -0.0007320400000000, -0.0001885300000000, 0.0000624800000000 ] - [ -0.0002869900000000, 0.0000822300000000, 0.0000870900000000 ] - [ 0.0001034200000000, 0.0000123900000000, -0.0003432900000000 ] - [ -0.0001605300000000, -0.0001610200000000, 0.0001024700000000 ] - [ 0.0003451000000000, 0.0003810000000000, -0.0001905300000000 ] - [ -0.0000718600000000, -0.0003760900000000, -0.0000782600000000 ] - [ -0.0004717800000000, 0.0001063700000000, -0.0003999700000000 ] - [ -0.0001453300000000, -0.0002538700000000, -0.0001360800000000 ] - [ -0.0000822900000000, -0.0002863700000000, -0.0003902900000000 ] - [ -0.0017276400000000, -0.0037248200000000, -0.0070434100000000 ] - [ -0.0002189100000000, -0.0004066200000000, -0.0006149000000000 ] - [ -0.0001243000000000, -0.0001745800000000, 0.0002878100000000 ] - [ 0.0001674400000000, -0.0002869300000000, 0.0000704400000000 ] - [ -0.0000831400000000, 0.0000441100000000, -0.0003080100000000 ] - [ 0.0003557100000000, -0.0001931100000000, -0.0000423200000000 ] - [ 0.0001993500000000, -0.0003114000000000, -0.0003907200000000 ] - [ 0.0002089900000000, 0.0000100700000000, -0.0002104400000000 ] - [ -0.0000974700000000, -0.0006420800000000, -0.0001963300000000 ] - [ -0.0001117800000000, -0.0008020700000000, 0.0000393500000000 ] - [ 0.0001589700000000, 0.0001452300000000, -0.0000734400000000 ] - [ 0.0001146300000000, -0.0002185100000000, 0.0005697300000000 ] - [ 0.0000857200000000, 0.0000040500000000, 0.0000011200000000 ] - [ -0.0000069800000000, -0.0000979800000000, -0.0001323300000000 ]- atom: 50 displacement: [ -0.0050000000104457, 0.0086602540318135, 0.0000000000000000 ] forces: - [ -0.0026090400000000, 0.0061747000000000, 0.0023221100000000 ] - [ -0.0006140300000000, 0.0023367800000000, -0.0004127300000000 ] - [ -0.0004441200000000, 0.0001959900000000, -0.0001689200000000 ] - [ -0.0024550300000000, 0.0021444600000000, -0.0006836100000000 ] - [ 0.0001533600000000, -0.0008388200000000, 0.0003256300000000 ] - [ 0.0003263300000000, 0.0002134400000000, 0.0001283000000000 ] - [ 0.0004405000000000, -0.0003353400000000, -0.0000689100000000 ] - [ -0.0000979400000000, -0.0002416900000000, 0.0001141000000000 ] - [ 0.0000136800000000, 0.0000350200000000, -0.0001697300000000 ] - [ 0.0001524100000000, -0.0002527800000000, -0.0002211900000000 ] - [ 0.0002341600000000, -0.0001459400000000, 0.0002568900000000 ] - [ 0.0002149300000000, 0.0001199600000000, 0.0000724100000000 ] - [ -0.0000451200000000, -0.0002240800000000, 0.0000352900000000 ] - [ 0.0000272600000000, 0.0004182100000000, -0.0004495500000000 ] - [ 0.0002238600000000, -0.0000143200000000, 0.0001010600000000 ] - [ 0.0001420900000000, -0.0004913400000000, -0.0001326200000000 ] - [ -0.0000324400000000, 0.0004062600000000, -0.0000622400000000 ] - [ -0.0001219000000000, -0.0001150600000000, 0.0003284600000000 ] - [ -0.0006092200000000, -0.0003256600000000, 0.0004890200000000 ] - [ -0.0005462300000000, -0.0003904500000000, -0.0001863600000000 ] - [ -0.0000071100000000, -0.0000695400000000, -0.0001853100000000 ] - [ -0.0021341200000000, 0.0016724600000000, -0.0004014400000000 ] - [ -0.0007980000000000, -0.0004083000000000, 0.0019212000000000 ] - [ -0.0060897800000000, 0.0128228600000000, 0.0013026500000000 ] - [ 0.0015234000000000, 0.0007611400000000, 0.0008263900000000 ] - [ 0.0004866600000000, 0.0011227100000000, -0.0002317900000000 ] - [ 0.0031331100000000, -0.0020204800000000, -0.0017759300000000 ] - [ -0.0000325300000000, -0.0014538300000000, 0.0001841700000000 ] - [ 0.0011659300000000, -0.0005685300000000, 0.0004026600000000 ] - [ 0.0009672800000000, -0.0000988500000000, 0.0005662600000000 ] - [ 0.0039142300000000, -0.0011637400000000, 0.0031038500000000 ] - [ 0.0016846700000000, -0.0026968600000000, 0.0002816600000000 ] - [ 0.0025394000000000, 0.0004392200000000, -0.0000143000000000 ] - [ -0.0004787800000000, 0.0006372200000000, 0.0002515300000000 ] - [ -0.0003938300000000, -0.0027044200000000, 0.0000640200000000 ] - [ 0.0006091300000000, -0.0001784100000000, 0.0004065000000000 ] - [ -0.0004510800000000, -0.0005501100000000, 0.0004709000000000 ] - [ -0.0005304900000000, -0.0004185200000000, 0.0006011800000000 ] - [ -0.0012370600000000, -0.0002865600000000, 0.0004599800000000 ] - [ -0.0012555800000000, 0.0001873700000000, -0.0001451500000000 ] - [ -0.0019756200000000, -0.0006139500000000, 0.0008181800000000 ] - [ 0.0003787900000000, 0.0002176400000000, 0.0002673900000000 ] - [ 0.0002450100000000, 0.0000510300000000, -0.0001998900000000 ] - [ 0.0004177600000000, 0.0012244100000000, 0.0001666800000000 ] - [ -0.0024378600000000, 0.0047541300000000, -0.0071045300000000 ] - [ 0.0000352400000000, 0.0001390400000000, -0.0000728900000000 ] - [ -0.0000346500000000, -0.0008539000000000, -0.0002327900000000 ] - [ 0.0004563200000000, 0.0001331200000000, 0.0000033300000000 ] - [ 0.0009302300000000, -0.0005301600000000, 0.0006831000000000 ] - [ 0.0108038200000000, -0.0265437800000000, -0.0038574100000000 ] - [ 0.0001191400000000, 0.0008742600000000, -0.0023087400000000 ] - [ 0.0006848400000000, 0.0006762200000000, -0.0001444700000000 ] - [ 0.0003713700000000, -0.0004819700000000, -0.0002105200000000 ] - [ 0.0014196700000000, -0.0017035500000000, -0.0005959100000000 ] - [ -0.0003253000000000, -0.0001332400000000, -0.0002744000000000 ] - [ -0.0031010100000000, 0.0049693300000000, 0.0068131500000000 ] - [ -0.0001452000000000, 0.0000639100000000, 0.0000156300000000 ] - [ -0.0004685100000000, -0.0007521600000000, 0.0000025200000000 ] - [ 0.0003133000000000, -0.0008959400000000, 0.0007805500000000 ] - [ -0.0005727700000000, 0.0000680700000000, -0.0005092000000000 ] - [ -0.0008205700000000, 0.0010123900000000, -0.0001050100000000 ] - [ 0.0002372400000000, 0.0012267700000000, 0.0001560700000000 ] - [ -0.0001835400000000, -0.0005240800000000, -0.0001329900000000 ] - [ -0.0001381600000000, 0.0000363400000000, -0.0001333400000000 ] - [ -0.0003049100000000, -0.0000940500000000, -0.0000779700000000 ] - [ -0.0000702900000000, 0.0007104500000000, 0.0001016000000000 ] - [ -0.0005909200000000, -0.0000276500000000, 0.0000309500000000 ] - [ -0.0003227600000000, 0.0004120400000000, -0.0004806200000000 ] - [ -0.0002886500000000, 0.0001082200000000, 0.0000035400000000 ] - [ -0.0000600700000000, -0.0001113900000000, 0.0000450800000000 ] - [ 0.0002076100000000, 0.0001496700000000, -0.0003157800000000 ] - [ 0.0000390200000000, -0.0001251200000000, 0.0001153800000000 ] - [ 0.0002050600000000, 0.0002438200000000, 0.0005966200000000 ] - [ -0.0005311300000000, 0.0001308500000000, -0.0000778200000000 ] - [ -0.0001087300000000, 0.0003541200000000, 0.0000013800000000 ] - [ -0.0000038200000000, 0.0000009700000000, -0.0001268500000000 ] - [ -0.0002120500000000, -0.0000920700000000, -0.0000199200000000 ] - [ -0.0000910400000000, 0.0003230300000000, -0.0000427800000000 ] - [ 0.0002865700000000, 0.0008741100000000, 0.0000434100000000 ] - [ -0.0000788300000000, 0.0004098700000000, 0.0002489100000000 ] - [ 0.0001206000000000, 0.0000467000000000, -0.0004187000000000 ] - [ -0.0003054200000000, -0.0001390400000000, 0.0001692400000000 ] - [ -0.0002295600000000, -0.0002785500000000, 0.0001168200000000 ] - [ -0.0006599700000000, 0.0008494900000000, -0.0001191300000000 ] - [ -0.0005092500000000, 0.0004157300000000, -0.0004047400000000 ] - [ -0.0009193800000000, -0.0002958000000000, -0.0001968800000000 ] - [ -0.0005756100000000, -0.0000036900000000, -0.0003979100000000 ] - [ -0.0001070200000000, 0.0003685700000000, 0.0000830400000000 ] - [ -0.0002802300000000, 0.0000733700000000, -0.0002973800000000 ] - [ -0.0004076900000000, 0.0002816900000000, 0.0002112800000000 ] - [ 0.0000584000000000, -0.0000961800000000, -0.0003033400000000 ] - [ -0.0003255500000000, 0.0001556800000000, -0.0000933000000000 ] - [ -0.0000524300000000, -0.0002526400000000, -0.0000840200000000 ] - [ -0.0003846100000000, 0.0005099300000000, -0.0003782800000000 ] - [ -0.0000553500000000, 0.0002905300000000, 0.0001435800000000 ] - [ 0.0008353400000000, -0.0015926400000000, -0.0005736800000000 ] - [ 0.0002141500000000, -0.0003335800000000, 0.0000475800000000 ] - [ -0.0004257500000000, 0.0011452200000000, -0.0000791400000000 ] - [ 0.0001128300000000, -0.0000833900000000, -0.0000760900000000 ] - [ 0.0008689800000000, -0.0001658000000000, 0.0010366300000000 ] - [ -0.0001651100000000, -0.0009471500000000, 0.0007749700000000 ] - [ -0.0003562600000000, -0.0001146900000000, 0.0004348300000000 ] - [ -0.0009151100000000, 0.0003030100000000, -0.0000902200000000 ] - [ -0.0003138500000000, 0.0000037600000000, -0.0003910800000000 ] - [ -0.0004280600000000, 0.0005806900000000, -0.0002113500000000 ] - [ -0.0001654800000000, -0.0001516100000000, -0.0000273400000000 ] - [ -0.0002780200000000, -0.0001357300000000, -0.0000370600000000 ] - [ -0.0006304900000000, 0.0007979500000000, 0.0001759900000000 ] - [ 0.0000090300000000, 0.0004450900000000, -0.0001484200000000 ] - [ 0.0001735700000000, -0.0005331000000000, -0.0001462600000000 ] - [ -0.0000425400000000, 0.0001731600000000, 0.0000965700000000 ] - [ 0.0001636300000000, 0.0000815900000000, -0.0003294400000000 ] - [ -0.0001329100000000, 0.0001438600000000, 0.0000150400000000 ] - [ 0.0000918500000000, 0.0006039800000000, -0.0003543500000000 ] - [ 0.0003617900000000, -0.0000328600000000, -0.0001360600000000 ] - [ -0.0000713300000000, 0.0002217600000000, -0.0003918400000000 ] - [ 0.0005241800000000, 0.0001446100000000, -0.0001157600000000 ] - [ -0.0000916000000000, -0.0000624500000000, -0.0004118300000000 ] - [ 0.0021372000000000, -0.0015195200000000, 0.0011232500000000 ] - [ 0.0000366200000000, -0.0002000000000000, -0.0002864200000000 ] - [ 0.0000885200000000, 0.0001245400000000, 0.0002641300000000 ] - [ 0.0003452400000000, 0.0000343300000000, 0.0001467300000000 ] - [ 0.0000448500000000, 0.0002859100000000, -0.0004145100000000 ] - [ 0.0004735200000000, 0.0001459800000000, -0.0000825900000000 ] - [ 0.0004057500000000, 0.0002227300000000, -0.0003784100000000 ] - [ -0.0000729500000000, -0.0007068600000000, -0.0008724300000000 ] - [ -0.0000703900000000, -0.0002019400000000, -0.0001250800000000 ] - [ 0.0003452200000000, -0.0004348000000000, -0.0000552400000000 ] - [ 0.0001749800000000, 0.0002699400000000, -0.0000134700000000 ] - [ 0.0002127600000000, -0.0001798100000000, 0.0002025600000000 ] - [ -0.0000581400000000, 0.0002854000000000, 0.0000118100000000 ] - [ -0.0000225200000000, 0.0000816200000000, -0.0001883500000000 ]- atom: 50 displacement: [ 0.0050000000104457, -0.0086602540318135, 0.0000000000000000 ] forces: - [ 0.0024301900000000, -0.0058960300000000, -0.0018523400000000 ] - [ 0.0005475800000000, -0.0024353400000000, 0.0000945900000000 ] - [ 0.0003864700000000, -0.0000897500000000, -0.0001581700000000 ] - [ 0.0025999100000000, -0.0021730200000000, 0.0013682500000000 ] - [ -0.0000438200000000, 0.0008177000000000, -0.0000708200000000 ] - [ -0.0003598000000000, -0.0001082600000000, 0.0001304400000000 ] - [ -0.0003207300000000, 0.0003334900000000, -0.0002605300000000 ] - [ 0.0000253000000000, 0.0001608900000000, 0.0001194900000000 ] - [ -0.0000746400000000, -0.0001439700000000, -0.0001610400000000 ] - [ -0.0002127700000000, 0.0003608000000000, -0.0001090900000000 ] - [ -0.0002332800000000, 0.0001467700000000, 0.0003295000000000 ] - [ -0.0001094200000000, -0.0001425700000000, 0.0001604000000000 ] - [ 0.0000102500000000, 0.0003281100000000, 0.0001975500000000 ] - [ 0.0000967300000000, -0.0004140900000000, 0.0001121400000000 ] - [ -0.0002962100000000, -0.0000654000000000, 0.0001368700000000 ] - [ -0.0002037100000000, 0.0003843500000000, -0.0002154900000000 ] - [ -0.0000351800000000, -0.0002983500000000, -0.0002865000000000 ] - [ 0.0001211700000000, 0.0001138800000000, 0.0002771700000000 ] - [ 0.0007094700000000, 0.0003078800000000, -0.0002483100000000 ] - [ 0.0005165000000000, 0.0004853100000000, 0.0004273900000000 ] - [ 0.0001321700000000, 0.0000702600000000, -0.0001638900000000 ] - [ 0.0008719900000000, -0.0011623200000000, 0.0008867300000000 ] - [ 0.0010152200000000, -0.0009559000000000, -0.0014349900000000 ] - [ 0.0068493500000000, -0.0118370600000000, 0.0001291100000000 ] - [ -0.0004576800000000, 0.0000853900000000, -0.0003168200000000 ] - [ 0.0000189500000000, -0.0022700700000000, 0.0013127500000000 ] - [ -0.0043579100000000, 0.0021785800000000, 0.0028771700000000 ] - [ -0.0012371200000000, 0.0019433200000000, 0.0003820200000000 ] - [ -0.0009506900000000, -0.0007739300000000, 0.0001636300000000 ] - [ -0.0002053100000000, 0.0010679700000000, 0.0004650700000000 ] - [ -0.0028470100000000, 0.0020394100000000, -0.0025127300000000 ] - [ -0.0012067300000000, 0.0015451300000000, 0.0007483500000000 ] - [ -0.0037338200000000, -0.0002655600000000, 0.0010464000000000 ] - [ -0.0007915600000000, -0.0001400000000000, 0.0003211900000000 ] - [ 0.0005850400000000, 0.0013484900000000, 0.0005095700000000 ] - [ 0.0001342300000000, 0.0011377500000000, 0.0006616700000000 ] - [ 0.0015109000000000, 0.0013961100000000, 0.0001010900000000 ] - [ 0.0009892400000000, -0.0007175500000000, 0.0004617300000000 ] - [ 0.0000292400000000, 0.0004509600000000, 0.0006079900000000 ] - [ 0.0012838100000000, -0.0002418700000000, -0.0001626500000000 ] - [ 0.0017847900000000, 0.0003328500000000, -0.0007957700000000 ] - [ -0.0001573600000000, -0.0000361600000000, -0.0002814700000000 ] - [ -0.0008373800000000, 0.0003840400000000, 0.0001380900000000 ] - [ -0.0005735000000000, -0.0013046000000000, -0.0000569100000000 ] - [ 0.0024156300000000, -0.0052356800000000, 0.0068811200000000 ] - [ -0.0003030800000000, -0.0000327600000000, 0.0000575200000000 ] - [ -0.0000700300000000, 0.0010087400000000, 0.0001045200000000 ] - [ 0.0002158500000000, 0.0001609700000000, -0.0000673500000000 ] - [ -0.0009665800000000, 0.0008922400000000, -0.0003750600000000 ] - [ -0.0104277400000000, 0.0261254400000000, 0.0024142600000000 ] - [ -0.0004202400000000, -0.0011026100000000, 0.0026363900000000 ] - [ -0.0005317900000000, -0.0007725900000000, 0.0002547700000000 ] - [ -0.0001873300000000, 0.0005013900000000, 0.0000816400000000 ] - [ -0.0018434300000000, 0.0021192100000000, -0.0002161300000000 ] - [ 0.0002392100000000, -0.0000349900000000, 0.0001450400000000 ] - [ 0.0029221400000000, -0.0055917200000000, -0.0077983700000000 ] - [ -0.0000101500000000, 0.0002243500000000, -0.0000012100000000 ] - [ 0.0002178300000000, 0.0003976700000000, -0.0009220500000000 ] - [ -0.0003345700000000, 0.0009111200000000, -0.0001217000000000 ] - [ 0.0009159800000000, -0.0002157800000000, 0.0008173000000000 ] - [ 0.0006370700000000, -0.0006222600000000, -0.0008118900000000 ] - [ 0.0002510300000000, -0.0009443400000000, -0.0002413600000000 ] - [ 0.0007518900000000, 0.0006238000000000, -0.0007047000000000 ] - [ 0.0000755500000000, -0.0000450600000000, -0.0001708000000000 ] - [ 0.0002246400000000, -0.0006399100000000, 0.0000157000000000 ] - [ 0.0003960300000000, -0.0007142200000000, -0.0000835800000000 ] - [ 0.0000960600000000, 0.0003124700000000, -0.0001181100000000 ] - [ 0.0003509900000000, -0.0003525200000000, 0.0001767700000000 ] - [ 0.0002933500000000, 0.0000729500000000, 0.0001076400000000 ] - [ 0.0001076300000000, -0.0001678800000000, -0.0000635700000000 ] - [ -0.0001146900000000, -0.0001273100000000, -0.0000108000000000 ] - [ -0.0002302300000000, -0.0001297400000000, 0.0000676100000000 ] - [ 0.0000573900000000, -0.0001175700000000, -0.0005132000000000 ] - [ -0.0000603800000000, 0.0003069900000000, -0.0000984300000000 ] - [ -0.0000259900000000, -0.0003942500000000, 0.0002082100000000 ] - [ 0.0000034000000000, -0.0005698400000000, -0.0001266800000000 ] - [ -0.0000331400000000, 0.0002716400000000, 0.0001149600000000 ] - [ -0.0000126000000000, -0.0001828100000000, -0.0000580000000000 ] - [ 0.0003876100000000, -0.0005850700000000, -0.0002222800000000 ] - [ 0.0000630400000000, 0.0000120600000000, 0.0001155000000000 ] - [ 0.0002876400000000, -0.0001178200000000, -0.0004666800000000 ] - [ -0.0000530100000000, -0.0000911700000000, 0.0001963100000000 ] - [ 0.0003326800000000, 0.0001846600000000, 0.0000905600000000 ] - [ 0.0008373600000000, -0.0008285600000000, 0.0000193400000000 ] - [ 0.0001629500000000, 0.0000220400000000, -0.0004914700000000 ] - [ 0.0008483000000000, 0.0001318700000000, 0.0000962700000000 ] - [ 0.0003644400000000, -0.0005083600000000, -0.0004995200000000 ] - [ -0.0000207500000000, -0.0000781200000000, 0.0000974800000000 ] - [ 0.0000102100000000, -0.0003890100000000, -0.0005836300000000 ] - [ 0.0004038100000000, -0.0002801400000000, 0.0001940900000000 ] - [ 0.0003184300000000, -0.0001010500000000, 0.0006663800000000 ] - [ 0.0001843600000000, 0.0002337000000000, -0.0007901200000000 ] - [ 0.0005425000000000, 0.0005340300000000, -0.0001680300000000 ] - [ 0.0009265900000000, -0.0004266100000000, -0.0005178100000000 ] - [ 0.0000315600000000, -0.0003849400000000, -0.0004685400000000 ] - [ -0.0008960800000000, 0.0008330900000000, 0.0003962400000000 ] - [ 0.0001038300000000, 0.0003045700000000, 0.0001366700000000 ] - [ -0.0000667400000000, -0.0008480200000000, -0.0001739200000000 ] - [ -0.0001757300000000, 0.0001526200000000, -0.0002478800000000 ] - [ -0.0008327800000000, 0.0002950900000000, -0.0008164400000000 ] - [ 0.0001178400000000, 0.0006090200000000, -0.0006346700000000 ] - [ 0.0004239000000000, 0.0001058700000000, -0.0005328100000000 ] - [ 0.0006777300000000, -0.0005075300000000, 0.0001103700000000 ] - [ 0.0005750000000000, 0.0001213600000000, 0.0002500200000000 ] - [ -0.0001645600000000, -0.0001449500000000, -0.0000436000000000 ] - [ 0.0000415800000000, 0.0001134600000000, 0.0000285400000000 ] - [ 0.0002764100000000, -0.0004353700000000, 0.0000017200000000 ] - [ 0.0003857900000000, -0.0006268400000000, -0.0003193600000000 ] - [ -0.0001117600000000, -0.0002985400000000, -0.0001092500000000 ] - [ 0.0005015600000000, 0.0008264800000000, -0.0001117000000000 ] - [ 0.0000290700000000, 0.0002511800000000, 0.0001783300000000 ] - [ 0.0002551600000000, -0.0001265500000000, -0.0003606800000000 ] - [ -0.0002258400000000, -0.0003735200000000, 0.0002593100000000 ] - [ 0.0000012300000000, -0.0006934200000000, 0.0003527300000000 ] - [ -0.0001809700000000, 0.0000558900000000, -0.0001202300000000 ] - [ -0.0002314100000000, 0.0002112000000000, -0.0003920700000000 ] - [ -0.0005909200000000, -0.0003071300000000, -0.0001405700000000 ] - [ -0.0001286500000000, -0.0004174400000000, -0.0003736400000000 ] - [ -0.0021555600000000, 0.0018771200000000, -0.0010886300000000 ] - [ -0.0002862900000000, -0.0001340100000000, -0.0003988800000000 ] - [ -0.0000868800000000, -0.0001227200000000, 0.0002219200000000 ] - [ 0.0000327900000000, -0.0002290600000000, 0.0001274000000000 ] - [ -0.0002118000000000, 0.0000983600000000, -0.0002752400000000 ] - [ 0.0000202000000000, 0.0001324100000000, 0.0000499700000000 ] - [ 0.0001212800000000, -0.0001663100000000, -0.0004058800000000 ] - [ 0.0000363400000000, 0.0006967900000000, 0.0008355200000000 ] - [ -0.0000108800000000, -0.0005324300000000, -0.0001285700000000 ] - [ -0.0000511900000000, 0.0003363100000000, 0.0000759600000000 ] - [ -0.0006660200000000, 0.0000220000000000, -0.0000204200000000 ] - [ -0.0002391600000000, 0.0002432100000000, -0.0002942300000000 ] - [ 0.0000841200000000, -0.0001601200000000, -0.0000114600000000 ] - [ -0.0000009100000000, -0.0003723700000000, 0.0000482800000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001713000000000, -0.0013330600000000, 0.0018469200000000 ] - [ 0.0016597000000000, 0.0018033800000000, 0.0017277200000000 ] - [ -0.0006066500000000, -0.0003588300000000, 0.0002616100000000 ] - [ -0.0024983900000000, 0.0007769700000000, 0.0015256100000000 ] - [ -0.0001562500000000, 0.0005636400000000, 0.0004638600000000 ] - [ -0.0001470700000000, -0.0000199300000000, 0.0002939600000000 ] - [ -0.0000279000000000, 0.0001329100000000, 0.0000267000000000 ] - [ -0.0000501400000000, -0.0000565100000000, -0.0000956700000000 ] - [ -0.0000441300000000, -0.0000549000000000, -0.0004084500000000 ] - [ -0.0000107000000000, 0.0000552200000000, -0.0004297200000000 ] - [ -0.0000455400000000, -0.0000336900000000, -0.0000158300000000 ] - [ 0.0000586000000000, 0.0000081800000000, -0.0001700300000000 ] - [ 0.0000267200000000, 0.0000624100000000, -0.0004600300000000 ] - [ 0.0000115200000000, 0.0000009100000000, -0.0023307600000000 ] - [ 0.0001004300000000, -0.0001000800000000, 0.0001847100000000 ] - [ 0.0000552100000000, 0.0000384100000000, -0.0000809800000000 ] - [ -0.0013472900000000, -0.0001439800000000, 0.0000218100000000 ] - [ -0.0000770500000000, -0.0000491000000000, 0.0004182900000000 ] - [ 0.0003786500000000, 0.0009987800000000, 0.0004390600000000 ] - [ -0.0002991400000000, -0.0012587900000000, 0.0003804700000000 ] - [ 0.0000931400000000, 0.0000981800000000, -0.0001191000000000 ] - [ 0.0002476400000000, 0.0000989100000000, -0.0102239300000000 ] - [ 0.0014233600000000, -0.0012563900000000, -0.0100794500000000 ] - [ 0.0005297900000000, 0.0008440000000000, 0.0803786000000000 ] - [ 0.0002316000000000, 0.0005723300000000, -0.0023336600000000 ] - [ 0.0053590100000000, 0.0001752600000000, 0.0019419800000000 ] - [ 0.0035545700000000, -0.0031756600000000, 0.0019633200000000 ] - [ -0.0008204100000000, -0.0002182700000000, 0.0006069200000000 ] - [ 0.0000130600000000, -0.0006380400000000, 0.0007899400000000 ] - [ 0.0004800400000000, 0.0003328600000000, 0.0008614300000000 ] - [ -0.0034848800000000, 0.0046566600000000, 0.0016301800000000 ] - [ 0.0008975200000000, -0.0014924900000000, 0.0013251800000000 ] - [ 0.0033595100000000, -0.0012245000000000, 0.0021602600000000 ] - [ 0.0002483000000000, 0.0006700500000000, 0.0007889300000000 ] - [ -0.0000506800000000, -0.0019799400000000, 0.0007578100000000 ] - [ 0.0003876600000000, 0.0005002000000000, -0.0000743700000000 ] - [ 0.0007589600000000, 0.0013224800000000, 0.0006662300000000 ] - [ 0.0001320400000000, -0.0006811100000000, -0.0017572800000000 ] - [ -0.0006282700000000, 0.0000878700000000, -0.0004285700000000 ] - [ 0.0004585800000000, 0.0005039400000000, -0.0021958800000000 ] - [ -0.0048772600000000, 0.0011054000000000, 0.0006542900000000 ] - [ 0.0002916300000000, 0.0002480700000000, 0.0002915900000000 ] - [ -0.0003484200000000, -0.0002294100000000, 0.0015574200000000 ] - [ 0.0002477400000000, 0.0010201600000000, -0.0004865300000000 ] - [ 0.0037872700000000, -0.0086684900000000, -0.0008183000000000 ] - [ -0.0003183800000000, -0.0001113600000000, 0.0003443400000000 ] - [ 0.0000279000000000, -0.0000803900000000, 0.0022657800000000 ] - [ 0.0003774900000000, 0.0003251800000000, 0.0004477300000000 ] - [ 0.0018063000000000, 0.0022833400000000, 0.0049051300000000 ] - [ -0.0003562300000000, -0.0039393100000000, -0.1006716300000000 ] - [ 0.0002295200000000, -0.0029834000000000, 0.0050403100000000 ] - [ -0.0000540400000000, -0.0009235700000000, -0.0004546700000000 ] - [ 0.0002408800000000, 0.0000420600000000, 0.0006594800000000 ] - [ -0.0103267500000000, -0.0049916700000000, -0.0006672200000000 ] - [ 0.0000055100000000, -0.0002141500000000, 0.0006499100000000 ] - [ -0.0058477300000000, 0.0091685000000000, -0.0012281800000000 ] - [ 0.0000365400000000, 0.0002153800000000, -0.0000035000000000 ] - [ 0.0002240700000000, 0.0002683500000000, -0.0025242200000000 ] - [ -0.0047748900000000, 0.0013231200000000, 0.0010583600000000 ] - [ 0.0011492900000000, -0.0003749900000000, 0.0012296600000000 ] - [ -0.0000639300000000, -0.0003512500000000, -0.0025239900000000 ] - [ 0.0002245100000000, 0.0008874400000000, -0.0002804000000000 ] - [ -0.0002502900000000, 0.0001811200000000, -0.0011116700000000 ] - [ -0.0000528700000000, -0.0001259700000000, -0.0004626900000000 ] - [ 0.0000099000000000, -0.0004311600000000, 0.0001343000000000 ] - [ 0.0001817200000000, 0.0000058300000000, 0.0000252700000000 ] - [ -0.0007178400000000, 0.0001806400000000, -0.0002922100000000 ] - [ -0.0001674300000000, 0.0001390700000000, -0.0006110800000000 ] - [ -0.0001173300000000, 0.0001015200000000, -0.0001117800000000 ] - [ -0.0000593300000000, -0.0002295600000000, 0.0001781400000000 ] - [ -0.0000068600000000, -0.0000417500000000, 0.0000327700000000 ] - [ -0.0000316200000000, -0.0001558000000000, 0.0002239100000000 ] - [ 0.0000804600000000, 0.0004839400000000, 0.0010940700000000 ] - [ -0.0007242900000000, 0.0000158000000000, 0.0000295100000000 ] - [ -0.0000759000000000, -0.0000346700000000, 0.0006409200000000 ] - [ 0.0000339900000000, -0.0004240900000000, -0.0001015800000000 ] - [ -0.0005145300000000, 0.0004305100000000, 0.0008312700000000 ] - [ 0.0000191100000000, 0.0001001700000000, -0.0000753300000000 ] - [ 0.0003008600000000, 0.0005768100000000, 0.0000185200000000 ] - [ 0.0000128800000000, 0.0002362800000000, 0.0003875800000000 ] - [ 0.0002027700000000, -0.0000189700000000, -0.0003153400000000 ] - [ -0.0001689800000000, -0.0001157200000000, 0.0003704400000000 ] - [ 0.0000875500000000, -0.0000273000000000, 0.0002929800000000 ] - [ 0.0005668500000000, -0.0005753700000000, -0.0000506100000000 ] - [ -0.0002610300000000, 0.0002089800000000, -0.0004427000000000 ] - [ 0.0008558400000000, -0.0000029600000000, -0.0001625100000000 ] - [ -0.0004895300000000, 0.0000248400000000, -0.0004040000000000 ] - [ -0.0001424800000000, 0.0000875300000000, 0.0002237100000000 ] - [ -0.0002042400000000, -0.0000754100000000, -0.0002016400000000 ] - [ -0.0001596500000000, 0.0002459600000000, -0.0000590800000000 ] - [ 0.0004394500000000, -0.0004513000000000, 0.0010951800000000 ] - [ -0.0003968900000000, 0.0003188700000000, 0.0002223400000000 ] - [ 0.0000060900000000, -0.0000717800000000, -0.0000784900000000 ] - [ -0.0003849600000000, 0.0008191800000000, -0.0005058800000000 ] - [ -0.0000209500000000, 0.0001242000000000, 0.0000740800000000 ] - [ 0.0056779700000000, -0.0042347200000000, 0.0010587000000000 ] - [ 0.0003180000000000, 0.0003096300000000, 0.0006974200000000 ] - [ -0.0004842500000000, 0.0011511100000000, -0.0001229600000000 ] - [ -0.0002283100000000, -0.0002177800000000, 0.0002654700000000 ] - [ 0.0006476400000000, 0.0001987600000000, 0.0020827900000000 ] - [ -0.0037992000000000, -0.0072127900000000, 0.0097676800000000 ] - [ -0.0004920400000000, -0.0000914200000000, 0.0007743400000000 ] - [ -0.0007350600000000, 0.0001437200000000, -0.0003514700000000 ] - [ -0.0002673100000000, 0.0001060600000000, -0.0008195400000000 ] - [ -0.0004020100000000, 0.0003326100000000, -0.0003473400000000 ] - [ 0.0000927900000000, -0.0000599500000000, 0.0000196000000000 ] - [ 0.0000216700000000, -0.0002786000000000, 0.0001317800000000 ] - [ -0.0001004600000000, -0.0004179600000000, -0.0013946000000000 ] - [ -0.0000891200000000, 0.0001256500000000, -0.0001977600000000 ] - [ -0.0003585000000000, -0.0000988300000000, -0.0007011900000000 ] - [ 0.0000668900000000, 0.0002500700000000, -0.0003485700000000 ] - [ 0.0001763400000000, -0.0000139300000000, -0.0002159700000000 ] - [ -0.0001958500000000, -0.0001328600000000, -0.0003532700000000 ] - [ -0.0000181800000000, -0.0007924900000000, 0.0002653100000000 ] - [ -0.0001238400000000, -0.0002227600000000, -0.0002504200000000 ] - [ -0.0000734800000000, 0.0002717900000000, -0.0002591600000000 ] - [ 0.0000566100000000, -0.0000474000000000, -0.0001918100000000 ] - [ -0.0001254400000000, -0.0002949700000000, -0.0002849800000000 ] - [ 0.0096407300000000, 0.0082139300000000, -0.0017247300000000 ] - [ 0.0002220500000000, 0.0001489100000000, 0.0003253300000000 ] - [ 0.0000057000000000, -0.0000026600000000, 0.0003766100000000 ] - [ 0.0002266500000000, -0.0000530800000000, -0.0003183200000000 ] - [ -0.0001417600000000, 0.0000606300000000, -0.0001025700000000 ] - [ 0.0000537800000000, -0.0000172900000000, 0.0005348500000000 ] - [ 0.0003243800000000, 0.0000779700000000, -0.0002513700000000 ] - [ 0.0006543700000000, 0.0079797100000000, 0.0107006800000000 ] - [ 0.0000191100000000, -0.0004435400000000, -0.0002593000000000 ] - [ -0.0002040600000000, -0.0007243600000000, -0.0003768600000000 ] - [ -0.0001287800000000, 0.0003029700000000, 0.0006616800000000 ] - [ -0.0002126400000000, -0.0002931000000000, 0.0009893500000000 ] - [ -0.0000010200000000, 0.0002518800000000, 0.0000458300000000 ] - [ 0.0001027400000000, -0.0000216600000000, -0.0004167700000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002860200000000, 0.0013798100000000, -0.0015193300000000 ] - [ -0.0017869700000000, -0.0019753700000000, -0.0020026100000000 ] - [ 0.0005544800000000, 0.0004673600000000, -0.0005872700000000 ] - [ 0.0026045600000000, -0.0008089300000000, -0.0008635700000000 ] - [ 0.0002657400000000, -0.0005918000000000, -0.0002050300000000 ] - [ 0.0001147600000000, 0.0001257800000000, -0.0000355100000000 ] - [ 0.0001502900000000, -0.0001352300000000, -0.0003559000000000 ] - [ -0.0000231400000000, -0.0000219300000000, 0.0003299600000000 ] - [ -0.0000191700000000, -0.0000545200000000, 0.0000788200000000 ] - [ -0.0000513700000000, 0.0000546800000000, 0.0001003800000000 ] - [ 0.0000464500000000, 0.0000338800000000, 0.0006044600000000 ] - [ 0.0000484000000000, -0.0000316800000000, 0.0004046700000000 ] - [ -0.0000594100000000, 0.0000387700000000, 0.0006971900000000 ] - [ 0.0001249400000000, -0.0000030600000000, 0.0020098400000000 ] - [ -0.0001723100000000, 0.0000210700000000, 0.0000513300000000 ] - [ -0.0001166600000000, -0.0001448600000000, -0.0002697000000000 ] - [ 0.0012925000000000, 0.0002515500000000, -0.0003775600000000 ] - [ 0.0000783100000000, 0.0000492900000000, 0.0001854200000000 ] - [ -0.0002739600000000, -0.0010207600000000, -0.0002107700000000 ] - [ 0.0002646700000000, 0.0013629700000000, -0.0001497100000000 ] - [ 0.0000311800000000, -0.0000980600000000, -0.0002320800000000 ] - [ -0.0015503700000000, 0.0003708200000000, 0.0107887500000000 ] - [ -0.0012372500000000, -0.0000458100000000, 0.0106437500000000 ] - [ 0.0001759900000000, 0.0000541500000000, -0.0842374000000000 ] - [ 0.0008204900000000, 0.0002818200000000, 0.0028601000000000 ] - [ -0.0048895800000000, -0.0013224200000000, -0.0008999800000000 ] - [ -0.0047692600000000, 0.0033443600000000, -0.0009175000000000 ] - [ -0.0004539500000000, 0.0007041200000000, -0.0000527700000000 ] - [ 0.0002014700000000, -0.0007050900000000, -0.0002350300000000 ] - [ 0.0002732300000000, 0.0006368700000000, 0.0001718000000000 ] - [ 0.0045406600000000, -0.0038142100000000, -0.0011131100000000 ] - [ -0.0004316300000000, 0.0003573800000000, -0.0002925800000000 ] - [ -0.0045932700000000, 0.0013944000000000, -0.0011148200000000 ] - [ -0.0015190400000000, -0.0001808500000000, -0.0002195900000000 ] - [ 0.0002526900000000, 0.0006496800000000, -0.0001843000000000 ] - [ 0.0003578200000000, 0.0004616200000000, 0.0011485000000000 ] - [ 0.0002948100000000, -0.0004779500000000, -0.0000943200000000 ] - [ 0.0003450200000000, -0.0004404800000000, 0.0028375300000000 ] - [ -0.0005770600000000, 0.0000673100000000, 0.0015043600000000 ] - [ -0.0004110400000000, -0.0005690900000000, 0.0019016100000000 ] - [ 0.0047011600000000, -0.0013816100000000, -0.0006533700000000 ] - [ -0.0000750600000000, -0.0000665900000000, -0.0003130800000000 ] - [ -0.0002532600000000, 0.0006600900000000, -0.0016304900000000 ] - [ -0.0004101300000000, -0.0011204700000000, 0.0005959300000000 ] - [ -0.0037997100000000, 0.0081646100000000, 0.0008078700000000 ] - [ 0.0000513900000000, 0.0002147600000000, -0.0003660400000000 ] - [ -0.0001253000000000, 0.0002332000000000, -0.0024042300000000 ] - [ 0.0003011200000000, -0.0000223500000000, -0.0005164300000000 ] - [ -0.0018375000000000, -0.0019132200000000, -0.0046232200000000 ] - [ 0.0008293700000000, 0.0039730900000000, 0.1044698100000000 ] - [ -0.0005244300000000, 0.0027536600000000, -0.0047582700000000 ] - [ 0.0002137000000000, 0.0008352800000000, 0.0005644300000000 ] - [ -0.0000468600000000, -0.0000297100000000, -0.0007940400000000 ] - [ 0.0100475000000000, 0.0054953200000000, -0.0000874600000000 ] - [ -0.0000788000000000, 0.0000458900000000, -0.0007848700000000 ] - [ 0.0056780100000000, -0.0097875500000000, 0.0004768800000000 ] - [ -0.0001920100000000, 0.0000723300000000, 0.0000166600000000 ] - [ -0.0004814600000000, -0.0006291600000000, 0.0016230800000000 ] - [ 0.0048318700000000, -0.0013371900000000, -0.0003940200000000 ] - [ -0.0008140900000000, 0.0002294400000000, -0.0009346000000000 ] - [ -0.0001283000000000, 0.0007526100000000, 0.0016233300000000 ] - [ 0.0002638100000000, -0.0006032700000000, 0.0001985300000000 ] - [ 0.0008200300000000, -0.0000880700000000, 0.0002847400000000 ] - [ -0.0000095800000000, 0.0001178500000000, 0.0001602200000000 ] - [ -0.0000897800000000, -0.0003047600000000, -0.0001991800000000 ] - [ 0.0001444300000000, -0.0000104800000000, -0.0000092700000000 ] - [ 0.0002268000000000, 0.0001034700000000, 0.0002073100000000 ] - [ 0.0001987400000000, -0.0000798700000000, 0.0003104400000000 ] - [ 0.0001211800000000, 0.0000799100000000, 0.0002230900000000 ] - [ 0.0001071500000000, -0.0000490600000000, -0.0001983900000000 ] - [ 0.0001011700000000, 0.0000645100000000, -0.0003632100000000 ] - [ -0.0001579900000000, -0.0000989500000000, -0.0000411300000000 ] - [ 0.0001928200000000, -0.0003664500000000, -0.0009978000000000 ] - [ 0.0001370300000000, 0.0004236600000000, -0.0002059300000000 ] - [ -0.0000548600000000, -0.0000181500000000, -0.0004379400000000 ] - [ -0.0000337300000000, -0.0001447200000000, -0.0001535600000000 ] - [ 0.0002744100000000, -0.0002533500000000, -0.0007393800000000 ] - [ -0.0001225500000000, 0.0000406900000000, -0.0000247700000000 ] - [ 0.0003744400000000, -0.0002884800000000, -0.0001963500000000 ] - [ -0.0000281100000000, 0.0001854700000000, -0.0000224700000000 ] - [ 0.0002061700000000, -0.0000524200000000, -0.0005715800000000 ] - [ -0.0001893100000000, -0.0001144800000000, -0.0000052900000000 ] - [ 0.0000172400000000, -0.0000663600000000, -0.0000883200000000 ] - [ -0.0003899000000000, 0.0005977400000000, -0.0000478400000000 ] - [ -0.0000816700000000, 0.0002287100000000, -0.0004545300000000 ] - [ -0.0009273400000000, -0.0001583100000000, 0.0000659900000000 ] - [ 0.0002824700000000, -0.0005391900000000, -0.0004948800000000 ] - [ 0.0000134300000000, 0.0002016200000000, -0.0000433400000000 ] - [ -0.0000647300000000, -0.0002411200000000, -0.0006834200000000 ] - [ 0.0001600700000000, -0.0002463900000000, 0.0004633500000000 ] - [ -0.0000656700000000, 0.0002617800000000, -0.0007300000000000 ] - [ 0.0002565200000000, 0.0000707200000000, -0.0011142700000000 ] - [ 0.0004863400000000, 0.0003562200000000, -0.0001753300000000 ] - [ 0.0009367400000000, -0.0007403900000000, -0.0003926300000000 ] - [ -0.0000037300000000, -0.0002221500000000, -0.0004041700000000 ] - [ -0.0058394300000000, 0.0035513400000000, -0.0012360500000000 ] - [ -0.0000055900000000, -0.0003418400000000, -0.0005176200000000 ] - [ -0.0000058100000000, -0.0008680200000000, -0.0001320500000000 ] - [ 0.0001631500000000, 0.0002896700000000, -0.0005965100000000 ] - [ -0.0006263300000000, -0.0000581900000000, -0.0018872200000000 ] - [ 0.0038141700000000, 0.0070109000000000, -0.0097824700000000 ] - [ 0.0005620900000000, 0.0000787900000000, -0.0008705700000000 ] - [ 0.0004979900000000, -0.0003489900000000, 0.0003740200000000 ] - [ 0.0005332200000000, 0.0000189600000000, 0.0006841600000000 ] - [ -0.0001907400000000, 0.0001012500000000, 0.0000930000000000 ] - [ -0.0002186600000000, 0.0000230600000000, -0.0000180200000000 ] - [ -0.0000225600000000, -0.0002935000000000, -0.0001677300000000 ] - [ -0.0001397000000000, 0.0005872900000000, 0.0012597600000000 ] - [ -0.0000151500000000, 0.0000170800000000, -0.0000595400000000 ] - [ 0.0010401400000000, 0.0003983400000000, 0.0004447900000000 ] - [ -0.0000818600000000, 0.0001745500000000, 0.0006269700000000 ] - [ 0.0002415500000000, -0.0000315100000000, -0.0004731100000000 ] - [ -0.0001642200000000, -0.0000990600000000, 0.0006313200000000 ] - [ 0.0001122700000000, 0.0007025200000000, -0.0002627800000000 ] - [ 0.0003044700000000, 0.0002466100000000, -0.0000054400000000 ] - [ -0.0002341800000000, 0.0001598000000000, -0.0005257400000000 ] - [ -0.0001269700000000, -0.0001170000000000, -0.0000645500000000 ] - [ -0.0000964900000000, -0.0001835700000000, -0.0005012200000000 ] - [ -0.0098197800000000, -0.0080027600000000, 0.0018490200000000 ] - [ -0.0004749300000000, -0.0004867400000000, -0.0010122100000000 ] - [ -0.0000063100000000, 0.0000035500000000, 0.0001061100000000 ] - [ 0.0001522800000000, -0.0001427400000000, 0.0005949900000000 ] - [ -0.0000252900000000, 0.0003241400000000, -0.0005853000000000 ] - [ 0.0004424300000000, 0.0003087100000000, -0.0005693700000000 ] - [ 0.0002016000000000, -0.0000244500000000, -0.0005338300000000 ] - [ -0.0007100500000000, -0.0081358500000000, -0.0109119700000000 ] - [ -0.0001001100000000, -0.0002915000000000, 0.0000055400000000 ] - [ 0.0004991400000000, 0.0006328200000000, 0.0004019100000000 ] - [ -0.0003688500000000, -0.0000201300000000, -0.0006990000000000 ] - [ 0.0001984800000000, 0.0003595600000000, -0.0010773800000000 ] - [ 0.0000295200000000, -0.0001281100000000, -0.0000444500000000 ] - [ -0.0001257500000000, -0.0002689000000000, 0.0002779000000000 ]- atom: 54 displacement: [ 0.0100000000000000, 0.0000000000065404, 0.0000000000000000 ] forces: - [ -0.0003486600000000, 0.0013424400000000, 0.0020624700000000 ] - [ -0.0008462000000000, -0.0010961600000000, 0.0010836700000000 ] - [ 0.0010835000000000, -0.0012942300000000, -0.0019432300000000 ] - [ 0.0031344800000000, 0.0006895400000000, 0.0000243700000000 ] - [ 0.0002800800000000, -0.0003389700000000, 0.0001365700000000 ] - [ -0.0014368700000000, 0.0004528400000000, -0.0010598000000000 ] - [ 0.0000970700000000, 0.0006042500000000, -0.0002804800000000 ] - [ -0.0001768000000000, -0.0005870100000000, 0.0001389000000000 ] - [ -0.0003051400000000, -0.0005778700000000, 0.0006452000000000 ] - [ 0.0001502700000000, 0.0002296300000000, -0.0001252200000000 ] - [ -0.0007405900000000, -0.0000124700000000, 0.0002778200000000 ] - [ -0.0008219200000000, 0.0001641800000000, 0.0003021000000000 ] - [ 0.0001326800000000, 0.0005580700000000, -0.0001410200000000 ] - [ -0.0005213000000000, 0.0000748600000000, -0.0009420000000000 ] - [ -0.0009270000000000, 0.0011559300000000, 0.0001911900000000 ] - [ -0.0000645800000000, 0.0005850000000000, -0.0001833300000000 ] - [ -0.0020047200000000, -0.0001662100000000, -0.0003567200000000 ] - [ -0.0001175400000000, -0.0002134100000000, 0.0002949800000000 ] - [ 0.0033907700000000, 0.0008557800000000, 0.0000204400000000 ] - [ -0.0001058700000000, -0.0015989300000000, -0.0000125000000000 ] - [ -0.0005382900000000, -0.0019239500000000, 0.0001238100000000 ] - [ 0.0084763900000000, 0.0018768900000000, -0.0001772100000000 ] - [ 0.0034274800000000, -0.0033497500000000, -0.0023321800000000 ] - [ 0.0215740700000000, 0.0051737100000000, 0.0033267700000000 ] - [ 0.0019701700000000, 0.0042146300000000, 0.0034881800000000 ] - [ 0.0381377300000000, -0.0018071500000000, -0.0059193400000000 ] - [ 0.0071281600000000, 0.0032683600000000, 0.0005035600000000 ] - [ -0.0021204300000000, -0.0005612500000000, 0.0002748400000000 ] - [ -0.0096819000000000, -0.0021339900000000, 0.0009524800000000 ] - [ -0.0020828800000000, -0.0015698100000000, -0.0003858800000000 ] - [ -0.0071007600000000, 0.0061229300000000, -0.0014634400000000 ] - [ -0.0010423100000000, 0.0007819500000000, 0.0012065200000000 ] - [ -0.0051585800000000, 0.0004728300000000, 0.0009881100000000 ] - [ -0.0032422000000000, 0.0004030100000000, 0.0001878100000000 ] - [ 0.0009843800000000, 0.0004678600000000, 0.0007181800000000 ] - [ -0.0003916800000000, 0.0016948100000000, 0.0007219700000000 ] - [ 0.0001285800000000, -0.0022626700000000, 0.0001394000000000 ] - [ -0.0015031800000000, -0.0022236300000000, -0.0001738600000000 ] - [ 0.0007749500000000, -0.0011952800000000, 0.0011413600000000 ] - [ 0.0017254200000000, 0.0000411000000000, -0.0014537800000000 ] - [ 0.0013118800000000, -0.0005238000000000, -0.0001042000000000 ] - [ -0.0002817700000000, 0.0001111100000000, -0.0002813000000000 ] - [ 0.0000746000000000, 0.0006942700000000, -0.0000013000000000 ] - [ -0.0009482900000000, -0.0009024700000000, -0.0003348800000000 ] - [ 0.0121149800000000, -0.0078175400000000, 0.0005592000000000 ] - [ -0.0000378300000000, 0.0005491000000000, 0.0003079800000000 ] - [ -0.0010414100000000, -0.0005145300000000, 0.0004074200000000 ] - [ -0.0005075300000000, 0.0001235300000000, 0.0000265000000000 ] - [ -0.0011785600000000, 0.0000031400000000, 0.0001560500000000 ] - [ 0.0046471800000000, 0.0044025800000000, -0.0105722200000000 ] - [ -0.0006608000000000, 0.0001283300000000, 0.0000851600000000 ] - [ 0.0005278300000000, 0.0010296400000000, -0.0002942000000000 ] - [ -0.0012868000000000, 0.0004374100000000, -0.0005656100000000 ] - [ -0.0962374300000000, -0.0132939100000000, 0.0058573200000000 ] - [ -0.0021820000000000, -0.0006228600000000, -0.0001108900000000 ] - [ -0.0055961500000000, 0.0056421900000000, -0.0007766400000000 ] - [ 0.0008233000000000, 0.0010405100000000, 0.0001645700000000 ] - [ 0.0059804000000000, -0.0012889400000000, 0.0107406400000000 ] - [ -0.0090580900000000, -0.0053091100000000, -0.0025355400000000 ] - [ -0.0001171500000000, -0.0005307700000000, 0.0001472800000000 ] - [ -0.0010240700000000, -0.0001094200000000, -0.0003017800000000 ] - [ -0.0002880900000000, 0.0004696400000000, 0.0001052900000000 ] - [ -0.0012409500000000, -0.0082151400000000, -0.0000767600000000 ] - [ 0.0008943300000000, 0.0008987100000000, 0.0008011000000000 ] - [ 0.0002851600000000, -0.0012571100000000, -0.0001330800000000 ] - [ 0.0001396500000000, -0.0003818300000000, -0.0000590100000000 ] - [ 0.0089158800000000, -0.0003003000000000, 0.0015329200000000 ] - [ 0.0002889100000000, -0.0001371400000000, -0.0000005200000000 ] - [ 0.0011199700000000, -0.0005710500000000, 0.0004828900000000 ] - [ 0.0003338700000000, -0.0002472700000000, -0.0001417500000000 ] - [ 0.0000516100000000, 0.0003936500000000, -0.0002767600000000 ] - [ -0.0006222900000000, 0.0006286800000000, -0.0004075900000000 ] - [ -0.0011313900000000, 0.0003793100000000, -0.0005521700000000 ] - [ 0.0066617000000000, 0.0040958300000000, -0.0021197900000000 ] - [ -0.0003710600000000, 0.0008151200000000, 0.0002694600000000 ] - [ -0.0000599900000000, 0.0003129200000000, -0.0000478600000000 ] - [ 0.0020101200000000, -0.0056618100000000, -0.0086207700000000 ] - [ 0.0008994700000000, 0.0015157500000000, -0.0000763100000000 ] - [ 0.0002324300000000, -0.0001296700000000, -0.0001455400000000 ] - [ 0.0001498800000000, 0.0002796300000000, 0.0001558000000000 ] - [ 0.0005235900000000, 0.0002419100000000, -0.0003623400000000 ] - [ 0.0007684300000000, -0.0000412100000000, -0.0006036700000000 ] - [ 0.0003387300000000, -0.0002884800000000, -0.0000972400000000 ] - [ 0.0015007800000000, -0.0013812400000000, 0.0000553100000000 ] - [ 0.0005867100000000, 0.0004675000000000, -0.0004289100000000 ] - [ 0.0035000900000000, 0.0004853700000000, -0.0000720600000000 ] - [ 0.0009576500000000, -0.0005423100000000, -0.0004511400000000 ] - [ -0.0002157800000000, -0.0002599300000000, 0.0001714600000000 ] - [ 0.0000111100000000, -0.0003035600000000, -0.0004820600000000 ] - [ 0.0008425700000000, -0.0001024300000000, 0.0001808000000000 ] - [ 0.0007272600000000, -0.0005893200000000, 0.0012926700000000 ] - [ 0.0004951600000000, 0.0001452200000000, -0.0005175800000000 ] - [ 0.0010546100000000, 0.0002041500000000, -0.0002121600000000 ] - [ 0.0007375200000000, -0.0002309200000000, -0.0004971700000000 ] - [ -0.0000050800000000, -0.0003431500000000, -0.0004240300000000 ] - [ 0.0049304600000000, -0.0037507000000000, 0.0014784300000000 ] - [ 0.0007416700000000, 0.0004503400000000, 0.0004335800000000 ] - [ -0.0003455500000000, -0.0003502600000000, -0.0001473800000000 ] - [ 0.0004838600000000, 0.0000864500000000, 0.0001361700000000 ] - [ -0.0011197400000000, -0.0000789400000000, 0.0001111900000000 ] - [ -0.0024417300000000, -0.0036436900000000, 0.0098069500000000 ] - [ -0.0006838200000000, -0.0009592600000000, 0.0003108100000000 ] - [ -0.0004607400000000, -0.0007984700000000, -0.0000652600000000 ] - [ 0.0018632700000000, -0.0001047000000000, 0.0012535500000000 ] - [ -0.0003820700000000, -0.0001134200000000, -0.0001506900000000 ] - [ 0.0012437900000000, -0.0008098800000000, -0.0003839100000000 ] - [ 0.0006711000000000, -0.0011624300000000, -0.0002409200000000 ] - [ 0.0004923900000000, -0.0011393600000000, -0.0013143900000000 ] - [ 0.0000037900000000, -0.0001709700000000, -0.0001150200000000 ] - [ 0.0013904900000000, 0.0003765000000000, -0.0004775800000000 ] - [ 0.0005528200000000, 0.0002252100000000, 0.0001053400000000 ] - [ 0.0003480400000000, -0.0003326500000000, -0.0004348800000000 ] - [ -0.0003328000000000, -0.0003549000000000, 0.0000492500000000 ] - [ -0.0002779800000000, -0.0014011900000000, 0.0005379400000000 ] - [ 0.0003499600000000, 0.0002686300000000, -0.0002098200000000 ] - [ 0.0006035800000000, 0.0002822100000000, -0.0004036100000000 ] - [ -0.0003331600000000, 0.0001329400000000, -0.0000486500000000 ] - [ -0.0002923200000000, -0.0003405200000000, -0.0003582000000000 ] - [ 0.0073045400000000, 0.0061437700000000, -0.0033790800000000 ] - [ 0.0003273900000000, 0.0002751000000000, 0.0000930800000000 ] - [ 0.0002195600000000, 0.0002495700000000, 0.0002362800000000 ] - [ 0.0002806900000000, 0.0005312500000000, 0.0002422600000000 ] - [ -0.0005947300000000, 0.0005710100000000, -0.0006862000000000 ] - [ -0.0006650600000000, -0.0001444400000000, 0.0000876700000000 ] - [ 0.0004342500000000, 0.0008240800000000, -0.0004064500000000 ] - [ -0.0008337500000000, 0.0055750400000000, 0.0086419300000000 ] - [ 0.0001202200000000, 0.0007145100000000, 0.0003552500000000 ] - [ 0.0038166200000000, 0.0126781900000000, 0.0013610500000000 ] - [ 0.0001150500000000, 0.0007564300000000, 0.0002219900000000 ] - [ -0.0049150100000000, 0.0026434800000000, -0.0090977300000000 ] - [ 0.0002796400000000, 0.0006294900000000, 0.0000009600000000 ] - [ 0.0003736600000000, 0.0003257500000000, -0.0003595400000000 ]- atom: 54 displacement: [ -0.0100000000000000, -0.0000000000065404, 0.0000000000000000 ] forces: - [ 0.0002467700000000, -0.0014233200000000, -0.0017947900000000 ] - [ 0.0007811700000000, 0.0009911900000000, -0.0014155500000000 ] - [ -0.0011082000000000, 0.0014124200000000, 0.0016294800000000 ] - [ -0.0031174700000000, -0.0007241800000000, 0.0006137400000000 ] - [ -0.0001728500000000, 0.0003125400000000, 0.0001193400000000 ] - [ 0.0014005400000000, -0.0003461400000000, 0.0013093100000000 ] - [ 0.0000251200000000, -0.0006033900000000, -0.0000495200000000 ] - [ 0.0001038900000000, 0.0005055000000000, 0.0000955400000000 ] - [ 0.0002468100000000, 0.0004633200000000, -0.0009677900000000 ] - [ -0.0002124500000000, -0.0001208000000000, -0.0002042100000000 ] - [ 0.0007371900000000, 0.0000103200000000, 0.0003128900000000 ] - [ 0.0009248700000000, -0.0001854700000000, -0.0000659300000000 ] - [ -0.0001716900000000, -0.0004524000000000, 0.0003759700000000 ] - [ 0.0006434300000000, -0.0000776300000000, 0.0006138500000000 ] - [ 0.0008511300000000, -0.0012241700000000, 0.0000460600000000 ] - [ -0.0000008900000000, -0.0006885900000000, -0.0001670200000000 ] - [ 0.0019457000000000, 0.0002745900000000, 0.0000080400000000 ] - [ 0.0001196500000000, 0.0002186700000000, 0.0003113700000000 ] - [ -0.0032997900000000, -0.0007996500000000, 0.0001895900000000 ] - [ 0.0000704800000000, 0.0017038500000000, 0.0002510900000000 ] - [ 0.0006668800000000, 0.0019152800000000, -0.0004730400000000 ] - [ -0.0097237800000000, -0.0013891100000000, 0.0006852500000000 ] - [ -0.0032360400000000, 0.0020037900000000, 0.0028640400000000 ] - [ -0.0222353100000000, -0.0052939500000000, -0.0028393500000000 ] - [ -0.0008887400000000, -0.0033390000000000, -0.0029386500000000 ] - [ -0.0349158900000000, 0.0003243600000000, 0.0060704100000000 ] - [ -0.0083082400000000, -0.0031312400000000, 0.0005838100000000 ] - [ 0.0008392700000000, 0.0010313400000000, 0.0002823500000000 ] - [ 0.0098403900000000, 0.0007760100000000, -0.0003901100000000 ] - [ 0.0028351100000000, 0.0025251900000000, 0.0014087100000000 ] - [ 0.0081294400000000, -0.0052844000000000, 0.0020281500000000 ] - [ 0.0014961000000000, -0.0019224800000000, -0.0001780400000000 ] - [ 0.0039339500000000, -0.0003147900000000, 0.0000361700000000 ] - [ 0.0019744600000000, 0.0001004400000000, 0.0003760400000000 ] - [ -0.0007920600000000, -0.0017646800000000, -0.0001315100000000 ] - [ 0.0011317700000000, -0.0007158600000000, 0.0003503600000000 ] - [ 0.0009344100000000, 0.0031195300000000, 0.0004261400000000 ] - [ 0.0019695000000000, 0.0011053200000000, 0.0012463200000000 ] - [ -0.0019595900000000, 0.0013675600000000, -0.0000745000000000 ] - [ -0.0016878100000000, -0.0000954400000000, 0.0011522100000000 ] - [ -0.0014844700000000, 0.0002495000000000, 0.0001207000000000 ] - [ 0.0004967200000000, 0.0000664400000000, 0.0002596200000000 ] - [ -0.0006675000000000, -0.0002607500000000, -0.0000645100000000 ] - [ 0.0007975200000000, 0.0007771300000000, 0.0004265200000000 ] - [ -0.0123014000000000, 0.0073736100000000, -0.0006408400000000 ] - [ -0.0002300000000000, -0.0004465800000000, -0.0003256500000000 ] - [ 0.0009418900000000, 0.0006792800000000, -0.0005404400000000 ] - [ 0.0011745200000000, 0.0001700600000000, -0.0000939800000000 ] - [ 0.0011386000000000, 0.0003605400000000, 0.0001197200000000 ] - [ -0.0042125900000000, -0.0044805500000000, 0.0098022300000000 ] - [ 0.0003660200000000, -0.0003459600000000, 0.0002125500000000 ] - [ -0.0003733200000000, -0.0011292200000000, 0.0004060300000000 ] - [ 0.0014578000000000, -0.0004104300000000, 0.0004324600000000 ] - [ 0.0947195100000000, 0.0148621600000000, -0.0054926900000000 ] - [ 0.0020933600000000, 0.0004546400000000, -0.0000201200000000 ] - [ 0.0054206000000000, -0.0061891800000000, -0.0000429600000000 ] - [ -0.0009839300000000, -0.0007503400000000, -0.0001493700000000 ] - [ -0.0061772100000000, 0.0009144700000000, -0.0114388800000000 ] - [ 0.0089797200000000, 0.0054255100000000, 0.0032724800000000 ] - [ 0.0004488800000000, 0.0003834200000000, 0.0001489000000000 ] - [ 0.0008326300000000, 0.0005069100000000, -0.0006035000000000 ] - [ 0.0007781400000000, -0.0001835800000000, -0.0001888900000000 ] - [ 0.0017803300000000, 0.0082336200000000, -0.0007421900000000 ] - [ -0.0009560800000000, -0.0008983400000000, -0.0010935700000000 ] - [ -0.0003641900000000, 0.0005162100000000, 0.0000685600000000 ] - [ 0.0001865300000000, 0.0003774000000000, 0.0000759300000000 ] - [ -0.0093253600000000, 0.0005796500000000, -0.0015921000000000 ] - [ -0.0002568000000000, 0.0001967200000000, -0.0002988600000000 ] - [ -0.0011130400000000, 0.0007477200000000, -0.0003688700000000 ] - [ -0.0002877800000000, -0.0000347500000000, 0.0001244100000000 ] - [ 0.0000380500000000, -0.0003747900000000, -0.0000487800000000 ] - [ 0.0004235900000000, -0.0008807400000000, 0.0005875600000000 ] - [ 0.0013997600000000, -0.0002530900000000, 0.0006428900000000 ] - [ -0.0071905300000000, -0.0036063800000000, 0.0019240000000000 ] - [ 0.0002372300000000, -0.0008589100000000, -0.0000630600000000 ] - [ 0.0000576900000000, -0.0008804600000000, -0.0002062600000000 ] - [ -0.0022305700000000, 0.0057694100000000, 0.0086064800000000 ] - [ -0.0009981000000000, -0.0013623100000000, -0.0000228800000000 ] - [ 0.0004430500000000, 0.0004209500000000, -0.0000325700000000 ] - [ -0.0001650100000000, 0.0001437700000000, 0.0002088100000000 ] - [ -0.0001156100000000, -0.0003117600000000, -0.0005225400000000 ] - [ -0.0011228300000000, -0.0001882900000000, 0.0009609100000000 ] - [ -0.0002368800000000, 0.0001917200000000, 0.0003003100000000 ] - [ -0.0013212000000000, 0.0014041600000000, -0.0001531500000000 ] - [ -0.0009273400000000, -0.0000282100000000, -0.0004682200000000 ] - [ -0.0035575900000000, -0.0006448800000000, -0.0000262400000000 ] - [ -0.0011658100000000, 0.0000300500000000, -0.0004468800000000 ] - [ 0.0000855900000000, 0.0005455600000000, 0.0000095700000000 ] - [ -0.0002781800000000, -0.0000127900000000, -0.0004004800000000 ] - [ -0.0008411700000000, 0.0001059100000000, 0.0002240400000000 ] - [ -0.0003475000000000, 0.0003962600000000, -0.0009317400000000 ] - [ -0.0006341100000000, 0.0002443000000000, -0.0003677800000000 ] - [ -0.0005621500000000, 0.0000768900000000, -0.0000404500000000 ] - [ -0.0001838600000000, 0.0003163700000000, -0.0003995000000000 ] - [ -0.0000190400000000, 0.0002400000000000, 0.0000900100000000 ] - [ -0.0050258300000000, 0.0030341200000000, -0.0016547700000000 ] - [ -0.0004253400000000, -0.0004816600000000, -0.0002534900000000 ] - [ -0.0001375600000000, 0.0006343400000000, -0.0001080800000000 ] - [ -0.0005477000000000, -0.0000171200000000, -0.0004611900000000 ] - [ 0.0011508200000000, 0.0002130100000000, 0.0000946100000000 ] - [ 0.0024513100000000, 0.0033849500000000, -0.0097364300000000 ] - [ 0.0007433100000000, 0.0009441600000000, -0.0004035400000000 ] - [ 0.0002191900000000, 0.0005886600000000, 0.0000863000000000 ] - [ -0.0015923700000000, 0.0002297000000000, -0.0013821700000000 ] - [ -0.0002048600000000, 0.0005459300000000, -0.0001033100000000 ] - [ -0.0013639400000000, 0.0007672300000000, 0.0003817800000000 ] - [ -0.0006711700000000, 0.0005829100000000, 0.0002020500000000 ] - [ -0.0007304100000000, 0.0013114500000000, 0.0011787700000000 ] - [ -0.0001111100000000, 0.0003019400000000, -0.0001410900000000 ] - [ -0.0007171000000000, -0.0000807500000000, 0.0002237500000000 ] - [ -0.0005676900000000, 0.0001960300000000, 0.0001736200000000 ] - [ 0.0000697000000000, 0.0002834000000000, -0.0002549500000000 ] - [ -0.0000250600000000, 0.0001129900000000, 0.0002240500000000 ] - [ 0.0003885100000000, 0.0013154300000000, -0.0005388900000000 ] - [ -0.0001700100000000, -0.0002496100000000, -0.0000443400000000 ] - [ -0.0009101300000000, 0.0001468800000000, -0.0003822300000000 ] - [ 0.0002540700000000, -0.0003025700000000, -0.0002070100000000 ] - [ 0.0000723900000000, -0.0001455300000000, -0.0004268200000000 ] - [ -0.0074087200000000, -0.0058624800000000, 0.0034269000000000 ] - [ -0.0005799100000000, -0.0006140700000000, -0.0007817700000000 ] - [ -0.0002200200000000, -0.0002530600000000, 0.0002466600000000 ] - [ 0.0000953900000000, -0.0007275500000000, 0.0000349200000000 ] - [ 0.0004184500000000, -0.0001932300000000, 0.0000042300000000 ] - [ 0.0011542200000000, 0.0004217400000000, -0.0001130300000000 ] - [ 0.0000894100000000, -0.0007747000000000, -0.0003790400000000 ] - [ 0.0007947000000000, -0.0056691100000000, -0.0088049900000000 ] - [ -0.0002053900000000, -0.0014478400000000, -0.0006070800000000 ] - [ -0.0035300800000000, -0.0125560100000000, -0.0013030800000000 ] - [ -0.0006068200000000, -0.0004681000000000, -0.0002597700000000 ] - [ 0.0048130300000000, -0.0025460200000000, 0.0089568700000000 ] - [ -0.0002510500000000, -0.0005039400000000, -0.0000006000000000 ] - [ -0.0003960200000000, -0.0006140500000000, 0.0002202000000000 ]- atom: 54 displacement: [ -0.0050000000104457, 0.0086602540318135, 0.0000000000000000 ] forces: - [ 0.0008073000000000, 0.0000208500000000, -0.0012497700000000 ] - [ -0.0000486300000000, 0.0002131900000000, -0.0002948100000000 ] - [ -0.0013423600000000, 0.0003393700000000, -0.0007292700000000 ] - [ -0.0009408700000000, 0.0000667300000000, 0.0014736800000000 ] - [ -0.0000799200000000, -0.0001987500000000, 0.0002320800000000 ] - [ 0.0005821500000000, 0.0000802800000000, 0.0006266900000000 ] - [ 0.0002803600000000, -0.0004492100000000, 0.0000021800000000 ] - [ -0.0001496800000000, -0.0000406500000000, 0.0000913500000000 ] - [ -0.0001171900000000, 0.0003227600000000, -0.0004766100000000 ] - [ 0.0000399800000000, -0.0002329300000000, -0.0002675600000000 ] - [ 0.0003254600000000, 0.0000074300000000, 0.0002874500000000 ] - [ 0.0003969200000000, -0.0000490900000000, 0.0000145200000000 ] - [ 0.0001488200000000, -0.0002190800000000, 0.0003225300000000 ] - [ 0.0002795800000000, 0.0002483000000000, -0.0000071000000000 ] - [ 0.0005885500000000, -0.0005706700000000, 0.0000728700000000 ] - [ 0.0003252400000000, -0.0006957500000000, -0.0001265800000000 ] - [ 0.0003449600000000, 0.0001562000000000, -0.0001392400000000 ] - [ -0.0000600700000000, -0.0003637700000000, 0.0003352600000000 ] - [ -0.0006179000000000, -0.0014481600000000, 0.0008589700000000 ] - [ -0.0002884500000000, 0.0001209600000000, 0.0001380500000000 ] - [ -0.0003325400000000, 0.0002976100000000, -0.0001231300000000 ] - [ -0.0037657000000000, 0.0018000700000000, 0.0015678000000000 ] - [ -0.0015516700000000, -0.0001731600000000, -0.0002000000000000 ] - [ 0.0046574700000000, 0.0176986700000000, 0.0048252400000000 ] - [ 0.0008924000000000, -0.0005616800000000, -0.0018200900000000 ] - [ -0.0290121000000000, 0.0131920800000000, 0.0078585600000000 ] - [ -0.0015276900000000, -0.0052758900000000, 0.0009597300000000 ] - [ -0.0001311400000000, -0.0005637100000000, 0.0003097100000000 ] - [ 0.0039801800000000, 0.0004222600000000, 0.0001119900000000 ] - [ 0.0007634300000000, 0.0011171100000000, 0.0007959600000000 ] - [ 0.0056721600000000, -0.0004751100000000, 0.0018284800000000 ] - [ 0.0015146000000000, -0.0015689500000000, 0.0001126100000000 ] - [ 0.0011339300000000, 0.0004263100000000, 0.0002928600000000 ] - [ 0.0002544000000000, -0.0003375600000000, 0.0003809300000000 ] - [ 0.0006543800000000, -0.0032534100000000, -0.0010628400000000 ] - [ 0.0010685400000000, -0.0009512900000000, 0.0003816700000000 ] - [ -0.0002075300000000, 0.0002084000000000, 0.0002476700000000 ] - [ 0.0002080500000000, -0.0007008700000000, 0.0005970200000000 ] - [ -0.0017373800000000, -0.0003858800000000, 0.0011560900000000 ] - [ -0.0008478000000000, -0.0003579400000000, 0.0005304200000000 ] - [ -0.0005117100000000, -0.0002285800000000, 0.0000448000000000 ] - [ 0.0003045900000000, 0.0002099700000000, 0.0002705100000000 ] - [ -0.0000780200000000, 0.0000923000000000, 0.0000043800000000 ] - [ -0.0004150600000000, 0.0020027400000000, 0.0014523000000000 ] - [ -0.0102682100000000, 0.0010713400000000, -0.0011967200000000 ] - [ -0.0000849900000000, 0.0000896000000000, 0.0000201800000000 ] - [ 0.0001505700000000, -0.0006378200000000, -0.0001377100000000 ] - [ 0.0007020100000000, 0.0000500200000000, -0.0000457900000000 ] - [ 0.0004096400000000, -0.0002229400000000, 0.0005115400000000 ] - [ 0.0010985300000000, -0.0023642500000000, 0.0000700800000000 ] - [ 0.0001030800000000, -0.0001375200000000, 0.0001308900000000 ] - [ 0.0002641400000000, -0.0000009000000000, 0.0000125900000000 ] - [ 0.0009400400000000, -0.0008443500000000, 0.0001383600000000 ] - [ 0.0349931300000000, -0.0306879100000000, -0.0189408800000000 ] - [ 0.0005381200000000, 0.0000940600000000, 0.0001253700000000 ] - [ 0.0019377200000000, -0.0008123200000000, -0.0002835000000000 ] - [ -0.0001201000000000, -0.0002329500000000, -0.0000209500000000 ] - [ -0.0031855000000000, -0.0016366500000000, -0.0057595500000000 ] - [ -0.0001887200000000, 0.0122020600000000, 0.0117247300000000 ] - [ 0.0001317100000000, 0.0000649200000000, 0.0001081600000000 ] - [ 0.0000822100000000, 0.0006354300000000, -0.0009894600000000 ] - [ 0.0006242700000000, 0.0008197400000000, -0.0000939500000000 ] - [ -0.0002580000000000, 0.0030838400000000, -0.0004782300000000 ] - [ -0.0002141500000000, -0.0004721700000000, -0.0005986200000000 ] - [ -0.0004067700000000, 0.0002095100000000, 0.0000271300000000 ] - [ 0.0000456800000000, 0.0004637000000000, 0.0000827600000000 ] - [ -0.0042025100000000, 0.0002209800000000, -0.0007631800000000 ] - [ -0.0002524700000000, 0.0002832500000000, -0.0003834600000000 ] - [ -0.0005985100000000, 0.0003942800000000, -0.0001812600000000 ] - [ -0.0001087900000000, 0.0000175600000000, 0.0000062500000000 ] - [ 0.0002554400000000, 0.0000723600000000, -0.0002912400000000 ] - [ 0.0003735600000000, -0.0003810200000000, 0.0001748300000000 ] - [ 0.0008391700000000, 0.0004072200000000, 0.0007477400000000 ] - [ -0.0035484100000000, -0.0023112100000000, 0.0009567300000000 ] - [ 0.0000245500000000, 0.0000289800000000, 0.0001418200000000 ] - [ 0.0001630200000000, -0.0003741700000000, -0.0001088000000000 ] - [ -0.0010387900000000, 0.0021476800000000, 0.0034751400000000 ] - [ -0.0003471600000000, -0.0004133400000000, -0.0000438500000000 ] - [ 0.0003551700000000, 0.0009512500000000, 0.0000419500000000 ] - [ -0.0000577400000000, 0.0003057000000000, 0.0002368900000000 ] - [ 0.0001394100000000, -0.0001138500000000, -0.0004346100000000 ] - [ -0.0005356300000000, -0.0001961600000000, 0.0005173400000000 ] - [ -0.0002116200000000, -0.0001789200000000, 0.0002523200000000 ] - [ -0.0007976700000000, 0.0008575800000000, -0.0000995000000000 ] - [ -0.0004919700000000, 0.0002259900000000, -0.0004333800000000 ] - [ -0.0016437100000000, -0.0004858400000000, -0.0000786500000000 ] - [ -0.0004385700000000, -0.0002509200000000, -0.0004399000000000 ] - [ -0.0001366900000000, 0.0004632800000000, 0.0000561700000000 ] - [ -0.0002980600000000, -0.0000347500000000, -0.0003859900000000 ] - [ -0.0003534700000000, 0.0000010300000000, 0.0002113800000000 ] - [ -0.0001229300000000, -0.0001205900000000, -0.0004309900000000 ] - [ -0.0002757300000000, 0.0001496500000000, -0.0003817100000000 ] - [ -0.0000792400000000, 0.0000904700000000, -0.0000906100000000 ] - [ -0.0000437300000000, 0.0000207600000000, -0.0004185600000000 ] - [ -0.0001591900000000, 0.0004089500000000, 0.0002992800000000 ] - [ 0.0000977800000000, -0.0012983800000000, -0.0001967000000000 ] - [ 0.0000307700000000, -0.0001022900000000, 0.0000534600000000 ] - [ -0.0006570500000000, 0.0003705600000000, -0.0000157900000000 ] - [ -0.0001416600000000, 0.0000574300000000, -0.0002273400000000 ] - [ 0.0002870300000000, -0.0000389900000000, 0.0000959200000000 ] - [ -0.0003586900000000, -0.0013623700000000, -0.0040249500000000 ] - [ -0.0002792000000000, 0.0004911800000000, 0.0004127600000000 ] - [ -0.0007239900000000, 0.0005892500000000, -0.0001356200000000 ] - [ -0.0005549200000000, 0.0000553900000000, -0.0006023100000000 ] - [ -0.0007123100000000, 0.0005036900000000, -0.0001312500000000 ] - [ -0.0005507500000000, 0.0001432100000000, 0.0001411500000000 ] - [ -0.0004928900000000, 0.0002482300000000, 0.0001100700000000 ] - [ -0.0006770700000000, 0.0006608300000000, 0.0005299200000000 ] - [ 0.0000216400000000, 0.0007951300000000, -0.0001184500000000 ] - [ 0.0001051900000000, 0.0000098500000000, -0.0000933800000000 ] - [ -0.0002022100000000, 0.0003343000000000, 0.0000982100000000 ] - [ 0.0000559500000000, 0.0002802900000000, -0.0003089400000000 ] - [ -0.0003605800000000, 0.0006274200000000, 0.0005416100000000 ] - [ -0.0008132600000000, 0.0003945300000000, -0.0003199600000000 ] - [ 0.0000090700000000, 0.0001462200000000, -0.0001089800000000 ] - [ -0.0003146900000000, 0.0003135100000000, -0.0003695900000000 ] - [ 0.0005092100000000, 0.0002108900000000, -0.0000374100000000 ] - [ -0.0002536600000000, 0.0002108000000000, -0.0005273000000000 ] - [ -0.0008163400000000, -0.0004521100000000, 0.0002447000000000 ] - [ -0.0001079600000000, -0.0001614200000000, -0.0003941500000000 ] - [ -0.0000350900000000, 0.0002230500000000, 0.0002585000000000 ] - [ 0.0003264300000000, -0.0000698200000000, 0.0001471000000000 ] - [ 0.0004743000000000, 0.0006313700000000, -0.0010102400000000 ] - [ 0.0006773700000000, 0.0001750000000000, -0.0007375900000000 ] - [ 0.0004262500000000, 0.0002629600000000, -0.0004176700000000 ] - [ 0.0002546000000000, -0.0009973200000000, -0.0013061700000000 ] - [ 0.0001945400000000, -0.0005171500000000, -0.0001264400000000 ] - [ 0.0062830600000000, -0.0035734700000000, -0.0014110400000000 ] - [ -0.0000032600000000, 0.0001559300000000, -0.0000279100000000 ] - [ 0.0030668800000000, -0.0020892200000000, 0.0018693000000000 ] - [ 0.0000957100000000, 0.0000747700000000, 0.0000166200000000 ] - [ -0.0000223700000000, -0.0001654200000000, -0.0001161100000000 ]- atom: 54 displacement: [ 0.0050000000104457, -0.0086602540318135, 0.0000000000000000 ] forces: - [ -0.0008811500000000, -0.0000906800000000, 0.0015009200000000 ] - [ -0.0000180300000000, -0.0003203200000000, -0.0000278300000000 ] - [ 0.0012831700000000, -0.0002311200000000, 0.0003966900000000 ] - [ 0.0009532300000000, -0.0000736300000000, -0.0008695800000000 ] - [ 0.0001896400000000, 0.0001711900000000, 0.0000234900000000 ] - [ -0.0006163500000000, 0.0000270000000000, -0.0003710300000000 ] - [ -0.0001581500000000, 0.0004468100000000, -0.0003322800000000 ] - [ 0.0000746200000000, -0.0000410900000000, 0.0001420300000000 ] - [ 0.0000551000000000, -0.0004315500000000, 0.0001481900000000 ] - [ -0.0000991900000000, 0.0003413300000000, -0.0000622000000000 ] - [ -0.0003261800000000, -0.0000066000000000, 0.0002992800000000 ] - [ -0.0002927600000000, 0.0000257900000000, 0.0002188800000000 ] - [ -0.0001812200000000, 0.0003253000000000, -0.0000864000000000 ] - [ -0.0001560800000000, -0.0002456700000000, -0.0003267900000000 ] - [ -0.0006632300000000, 0.0004933300000000, 0.0001641700000000 ] - [ -0.0003846800000000, 0.0005877900000000, -0.0002222600000000 ] - [ -0.0004124600000000, -0.0000489200000000, -0.0002107500000000 ] - [ 0.0000581600000000, 0.0003596100000000, 0.0002691600000000 ] - [ 0.0006972900000000, 0.0015480800000000, -0.0006501200000000 ] - [ 0.0002544000000000, -0.0000271600000000, 0.0000999500000000 ] - [ 0.0004544700000000, -0.0003004900000000, -0.0002271300000000 ] - [ 0.0025119400000000, -0.0012797100000000, -0.0010606200000000 ] - [ 0.0017645700000000, -0.0011891400000000, 0.0007126500000000 ] - [ -0.0039274900000000, -0.0165844700000000, -0.0037231100000000 ] - [ 0.0001794000000000, 0.0014144300000000, 0.0023520200000000 ] - [ 0.0303182600000000, -0.0141934500000000, -0.0070551500000000 ] - [ 0.0003426400000000, 0.0054498700000000, 0.0001143300000000 ] - [ -0.0011421300000000, 0.0010488200000000, 0.0002560900000000 ] - [ -0.0037888500000000, -0.0017667600000000, 0.0004536600000000 ] - [ -0.0000065500000000, -0.0001522600000000, 0.0002331900000000 ] - [ -0.0045988100000000, 0.0013588300000000, -0.0012485300000000 ] - [ -0.0010438100000000, 0.0004240200000000, 0.0009153500000000 ] - [ -0.0023543700000000, -0.0002512800000000, 0.0007384600000000 ] - [ -0.0015295900000000, 0.0008334600000000, 0.0001929700000000 ] - [ -0.0004520200000000, 0.0018947200000000, 0.0016249400000000 ] - [ -0.0003201400000000, 0.0019080400000000, 0.0006900700000000 ] - [ 0.0012624500000000, 0.0006295700000000, 0.0003267600000000 ] - [ 0.0002444800000000, -0.0004415500000000, 0.0004691700000000 ] - [ 0.0005257300000000, 0.0005489400000000, -0.0000750900000000 ] - [ 0.0008816600000000, 0.0002994800000000, -0.0008322500000000 ] - [ 0.0003358700000000, -0.0000487700000000, -0.0000296100000000 ] - [ -0.0000847000000000, -0.0000288800000000, -0.0002859400000000 ] - [ -0.0005119100000000, 0.0003435400000000, -0.0000681600000000 ] - [ 0.0002488700000000, -0.0020760000000000, -0.0013266200000000 ] - [ 0.0101004000000000, -0.0016463100000000, 0.0010973200000000 ] - [ -0.0001822500000000, 0.0000179800000000, -0.0000361400000000 ] - [ -0.0002564500000000, 0.0007899000000000, 0.0000047300000000 ] - [ -0.0000309500000000, 0.0002423300000000, -0.0000194700000000 ] - [ -0.0004486200000000, 0.0005836000000000, -0.0002082900000000 ] - [ -0.0006249200000000, 0.0023474100000000, -0.0010355500000000 ] - [ -0.0004012900000000, -0.0000808200000000, 0.0001704500000000 ] - [ -0.0001066500000000, -0.0000906000000000, 0.0000962900000000 ] - [ -0.0007574200000000, 0.0008633300000000, -0.0002716800000000 ] - [ -0.0360842600000000, 0.0308203700000000, 0.0186301800000000 ] - [ -0.0006281900000000, -0.0002632700000000, -0.0002597400000000 ] - [ -0.0021717700000000, 0.0003032800000000, -0.0005533100000000 ] - [ -0.0000328600000000, 0.0005225600000000, 0.0000346900000000 ] - [ 0.0029489600000000, 0.0012990000000000, 0.0048929500000000 ] - [ 0.0001766700000000, -0.0123911700000000, -0.0113066500000000 ] - [ 0.0002037400000000, -0.0002110100000000, 0.0001925400000000 ] - [ -0.0002737500000000, -0.0002397800000000, 0.0000796600000000 ] - [ -0.0001375700000000, -0.0005317600000000, 0.0000102900000000 ] - [ 0.0008305600000000, -0.0030160200000000, -0.0003578200000000 ] - [ 0.0001536700000000, 0.0004660700000000, 0.0002975500000000 ] - [ 0.0003253400000000, -0.0009432200000000, -0.0000908100000000 ] - [ 0.0002791000000000, -0.0004676500000000, -0.0000655800000000 ] - [ 0.0037160500000000, 0.0000597000000000, 0.0006795400000000 ] - [ 0.0002811400000000, -0.0002241200000000, 0.0000810200000000 ] - [ 0.0006038600000000, -0.0002140200000000, 0.0002932800000000 ] - [ 0.0001562200000000, -0.0002962200000000, -0.0000263100000000 ] - [ -0.0001615800000000, -0.0000484100000000, -0.0000379800000000 ] - [ -0.0005641900000000, 0.0001271600000000, 0.0000063400000000 ] - [ -0.0005788400000000, -0.0002826600000000, -0.0006620800000000 ] - [ 0.0029918900000000, 0.0027671300000000, -0.0011441800000000 ] - [ -0.0001591400000000, -0.0000669400000000, 0.0000659400000000 ] - [ -0.0001625300000000, -0.0001933200000000, -0.0001451300000000 ] - [ 0.0007948300000000, -0.0019789900000000, -0.0033903700000000 ] - [ 0.0002460000000000, 0.0005578800000000, -0.0000577300000000 ] - [ 0.0003176800000000, -0.0006608300000000, -0.0002203300000000 ] - [ 0.0000421500000000, 0.0001164700000000, 0.0001271600000000 ] - [ 0.0002697700000000, 0.0000431900000000, -0.0004518900000000 ] - [ 0.0001797200000000, -0.0000335700000000, -0.0001545400000000 ] - [ 0.0003137600000000, 0.0000842800000000, -0.0000464100000000 ] - [ 0.0009740400000000, -0.0008361300000000, -0.0000008000000000 ] - [ 0.0001480300000000, 0.0002129900000000, -0.0004630500000000 ] - [ 0.0015762600000000, 0.0003227500000000, -0.0000222900000000 ] - [ 0.0002305800000000, -0.0002626500000000, -0.0004579700000000 ] - [ 0.0000077300000000, -0.0001727900000000, 0.0001234300000000 ] - [ 0.0000279100000000, -0.0002815300000000, -0.0004971300000000 ] - [ 0.0003523300000000, -0.0000002500000000, 0.0001949700000000 ] - [ 0.0004989400000000, -0.0000771300000000, 0.0007919300000000 ] - [ 0.0001365700000000, 0.0002397400000000, -0.0005048500000000 ] - [ 0.0005712600000000, 0.0001931800000000, -0.0001620300000000 ] - [ 0.0005923600000000, 0.0000592100000000, -0.0004777900000000 ] - [ 0.0001343000000000, -0.0005029600000000, -0.0006242600000000 ] - [ -0.0001586500000000, 0.0005362400000000, 0.0000245000000000 ] - [ 0.0002874800000000, 0.0000739800000000, 0.0001296600000000 ] - [ 0.0001622700000000, -0.0000856200000000, -0.0002367800000000 ] - [ 0.0000793200000000, 0.0000123500000000, -0.0000971700000000 ] - [ -0.0002592300000000, 0.0001690800000000, 0.0001128200000000 ] - [ 0.0003273500000000, 0.0010343000000000, 0.0041387200000000 ] - [ 0.0003453200000000, -0.0005037000000000, -0.0005094600000000 ] - [ 0.0004817900000000, -0.0007937100000000, 0.0001555400000000 ] - [ 0.0008209100000000, 0.0000699200000000, 0.0004659300000000 ] - [ 0.0001159700000000, -0.0000693500000000, -0.0001223500000000 ] - [ 0.0004287700000000, -0.0001822900000000, -0.0001409100000000 ] - [ 0.0004909200000000, -0.0008197300000000, -0.0001469100000000 ] - [ 0.0004323000000000, -0.0004906000000000, -0.0006691500000000 ] - [ -0.0001240000000000, -0.0006462800000000, -0.0001396500000000 ] - [ 0.0005719600000000, 0.0002867200000000, -0.0001639000000000 ] - [ 0.0001891400000000, 0.0000904300000000, 0.0001776700000000 ] - [ 0.0003623800000000, -0.0003248700000000, -0.0003826500000000 ] - [ -0.0000011600000000, -0.0008508700000000, -0.0002593700000000 ] - [ 0.0008951700000000, -0.0004881700000000, 0.0003187800000000 ] - [ 0.0001720200000000, -0.0001226500000000, -0.0001481500000000 ] - [ 0.0000130000000000, 0.0001202400000000, -0.0004147800000000 ] - [ -0.0005747900000000, -0.0003713300000000, -0.0002187300000000 ] - [ 0.0000314200000000, -0.0006880000000000, -0.0002600900000000 ] - [ 0.0007980200000000, 0.0007927900000000, -0.0002456900000000 ] - [ -0.0001411200000000, -0.0001723800000000, -0.0002924800000000 ] - [ 0.0000368200000000, -0.0002194300000000, 0.0002272700000000 ] - [ 0.0000525100000000, -0.0001230800000000, 0.0001282700000000 ] - [ -0.0006361500000000, -0.0002413300000000, 0.0003110200000000 ] - [ -0.0001834600000000, 0.0001010800000000, 0.0006963100000000 ] - [ 0.0001023800000000, -0.0002035700000000, -0.0003674400000000 ] - [ -0.0002991800000000, 0.0009686900000000, 0.0012561300000000 ] - [ -0.0002746300000000, -0.0002151600000000, -0.0001261800000000 ] - [ -0.0059850200000000, 0.0034661000000000, 0.0014382700000000 ] - [ -0.0004859200000000, 0.0001368800000000, -0.0000071400000000 ] - [ -0.0031101500000000, 0.0021502600000000, -0.0019603800000000 ] - [ -0.0000681400000000, 0.0000514800000000, -0.0000161100000000 ] - [ -0.0000003600000000, -0.0001242400000000, -0.0000244900000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0012373000000000, -0.0006431700000000, -0.0008717400000000 ] - [ 0.0003309500000000, 0.0003103000000000, -0.0002153000000000 ] - [ -0.0010255000000000, -0.0012473400000000, -0.0012004500000000 ] - [ -0.0005367700000000, 0.0021029900000000, -0.0018666900000000 ] - [ 0.0000572300000000, 0.0000714900000000, 0.0001325900000000 ] - [ -0.0004970300000000, 0.0001788500000000, 0.0000123300000000 ] - [ 0.0000253500000000, 0.0000535500000000, -0.0001417000000000 ] - [ -0.0000416200000000, -0.0000631100000000, 0.0000593200000000 ] - [ 0.0001242700000000, 0.0000351900000000, -0.0004743800000000 ] - [ -0.0000060400000000, -0.0000076400000000, -0.0002473900000000 ] - [ 0.0000119500000000, 0.0000173600000000, 0.0002291200000000 ] - [ 0.0000810900000000, -0.0000157300000000, 0.0000318500000000 ] - [ -0.0000761900000000, 0.0001440200000000, -0.0000131900000000 ] - [ -0.0001388100000000, -0.0000067500000000, -0.0004783900000000 ] - [ 0.0000405200000000, -0.0001461900000000, 0.0002050300000000 ] - [ 0.0000235400000000, -0.0001086000000000, -0.0001043200000000 ] - [ -0.0001595900000000, 0.0000373600000000, -0.0001187500000000 ] - [ -0.0000246400000000, -0.0000465200000000, 0.0003739000000000 ] - [ 0.0001143900000000, -0.0006328100000000, 0.0017225800000000 ] - [ -0.0000492500000000, -0.0001008700000000, 0.0002120400000000 ] - [ 0.0000243800000000, 0.0000566100000000, -0.0000144200000000 ] - [ -0.0006312100000000, 0.0009077200000000, -0.0063945800000000 ] - [ -0.0000355100000000, -0.0012869600000000, -0.0014649500000000 ] - [ 0.0130656300000000, 0.0095396600000000, 0.0172396400000000 ] - [ 0.0009532700000000, -0.0000050400000000, -0.0014295200000000 ] - [ -0.0164116700000000, 0.0020302400000000, 0.0174511900000000 ] - [ -0.0001818500000000, -0.0013211700000000, 0.0027372400000000 ] - [ -0.0006283900000000, 0.0000834700000000, 0.0004760900000000 ] - [ 0.0008559900000000, -0.0003587000000000, 0.0005592800000000 ] - [ 0.0000195600000000, 0.0002890300000000, 0.0005648900000000 ] - [ 0.0007017400000000, 0.0008168200000000, 0.0012317200000000 ] - [ 0.0005586700000000, -0.0007613200000000, 0.0004918600000000 ] - [ -0.0001767300000000, 0.0001020600000000, 0.0005870000000000 ] - [ -0.0006564000000000, 0.0001929800000000, 0.0003141700000000 ] - [ 0.0004769500000000, -0.0020333500000000, -0.0000882000000000 ] - [ 0.0004349200000000, 0.0003169800000000, 0.0002880200000000 ] - [ 0.0003537500000000, 0.0001570900000000, 0.0002297700000000 ] - [ 0.0000944500000000, -0.0006935800000000, 0.0002325800000000 ] - [ -0.0005888900000000, 0.0005174800000000, -0.0000135300000000 ] - [ -0.0000757400000000, -0.0000077600000000, -0.0003179600000000 ] - [ -0.0004805200000000, -0.0001233400000000, 0.0001331400000000 ] - [ 0.0002431600000000, 0.0001301000000000, 0.0003629100000000 ] - [ -0.0002061200000000, 0.0002243200000000, 0.0001511100000000 ] - [ -0.0005522800000000, 0.0015583200000000, 0.0004679600000000 ] - [ -0.0009284800000000, -0.0006773900000000, -0.0020926000000000 ] - [ -0.0001473300000000, 0.0001080600000000, 0.0001181800000000 ] - [ -0.0000185400000000, 0.0003567600000000, 0.0005342900000000 ] - [ 0.0001903300000000, -0.0001371100000000, 0.0005075900000000 ] - [ -0.0001121700000000, 0.0005229100000000, 0.0029651700000000 ] - [ -0.0069315400000000, -0.0043652600000000, -0.0007488000000000 ] - [ -0.0003143500000000, -0.0004167300000000, 0.0008905600000000 ] - [ 0.0000916100000000, -0.0000749400000000, -0.0000087900000000 ] - [ -0.0000780100000000, 0.0002523500000000, 0.0005246700000000 ] - [ 0.0054959100000000, -0.0180625200000000, -0.0360293600000000 ] - [ -0.0000593700000000, -0.0000281600000000, 0.0002252600000000 ] - [ -0.0003806100000000, -0.0000350200000000, -0.0015304800000000 ] - [ 0.0002975500000000, 0.0003391500000000, 0.0001340500000000 ] - [ 0.0072289300000000, -0.0005884900000000, -0.0013150800000000 ] - [ -0.0030169400000000, 0.0120501200000000, 0.0049827100000000 ] - [ 0.0004581700000000, -0.0002519700000000, 0.0008617600000000 ] - [ 0.0000032400000000, -0.0001897300000000, -0.0011564100000000 ] - [ 0.0003440400000000, 0.0002891000000000, -0.0001431800000000 ] - [ 0.0004186700000000, 0.0003977900000000, -0.0015298700000000 ] - [ 0.0000526800000000, -0.0001144800000000, -0.0004057400000000 ] - [ -0.0000916100000000, -0.0002690900000000, 0.0000747000000000 ] - [ 0.0001429500000000, 0.0000324000000000, 0.0000461600000000 ] - [ -0.0020873400000000, 0.0003404800000000, -0.0008278600000000 ] - [ -0.0000570300000000, 0.0000739000000000, -0.0002749900000000 ] - [ 0.0000470600000000, 0.0000589500000000, -0.0000061200000000 ] - [ 0.0000049200000000, -0.0001472900000000, 0.0000686800000000 ] - [ 0.0000182800000000, 0.0000342500000000, 0.0000158000000000 ] - [ -0.0000791300000000, -0.0002450200000000, 0.0001541600000000 ] - [ 0.0002615700000000, 0.0003616500000000, 0.0001955900000000 ] - [ -0.0009905900000000, -0.0003373500000000, 0.0000558900000000 ] - [ -0.0000880000000000, 0.0000926800000000, 0.0002365500000000 ] - [ 0.0000297600000000, -0.0002619300000000, -0.0000854400000000 ] - [ -0.0003425100000000, 0.0005106900000000, 0.0007405100000000 ] - [ -0.0000938600000000, -0.0000349700000000, -0.0000786800000000 ] - [ 0.0003424500000000, 0.0003592300000000, -0.0000703400000000 ] - [ -0.0000090000000000, 0.0002328000000000, 0.0001955500000000 ] - [ 0.0002123600000000, -0.0000309700000000, -0.0003096400000000 ] - [ -0.0002575400000000, -0.0001278600000000, 0.0002583000000000 ] - [ -0.0000436200000000, -0.0001036200000000, 0.0003269600000000 ] - [ 0.0000473100000000, 0.0000458600000000, -0.0000806100000000 ] - [ -0.0001827400000000, 0.0002388200000000, -0.0004259900000000 ] - [ -0.0001673300000000, -0.0001449300000000, -0.0000882300000000 ] - [ -0.0000659600000000, -0.0002497800000000, -0.0004311100000000 ] - [ -0.0000885300000000, 0.0001564900000000, 0.0001148100000000 ] - [ -0.0001541500000000, -0.0001444900000000, -0.0003333900000000 ] - [ -0.0000271200000000, 0.0000056400000000, 0.0001629700000000 ] - [ 0.0002686500000000, -0.0001899100000000, 0.0001089100000000 ] - [ -0.0000828400000000, 0.0001861300000000, -0.0003017000000000 ] - [ 0.0002700600000000, 0.0001036100000000, -0.0001021700000000 ] - [ 0.0001400200000000, 0.0000785300000000, -0.0004213300000000 ] - [ -0.0000587900000000, 0.0001091200000000, 0.0000816100000000 ] - [ 0.0006069300000000, -0.0010336400000000, -0.0001033100000000 ] - [ 0.0001980800000000, 0.0000560000000000, 0.0001564000000000 ] - [ -0.0004567800000000, 0.0002753800000000, -0.0000206600000000 ] - [ -0.0000091300000000, 0.0000104500000000, -0.0000608000000000 ] - [ 0.0003550700000000, -0.0001161000000000, 0.0008031800000000 ] - [ 0.0023916400000000, -0.0004677400000000, 0.0052063200000000 ] - [ -0.0002096300000000, 0.0002032100000000, 0.0001104100000000 ] - [ -0.0003615100000000, -0.0000152100000000, -0.0001446400000000 ] - [ -0.0000025700000000, 0.0000690400000000, -0.0002923500000000 ] - [ -0.0004547500000000, 0.0002670800000000, -0.0001780800000000 ] - [ -0.0001257000000000, 0.0000051800000000, 0.0000191100000000 ] - [ -0.0001026900000000, -0.0001808900000000, 0.0000370000000000 ] - [ -0.0002374600000000, 0.0000864800000000, -0.0002119600000000 ] - [ -0.0000126300000000, 0.0002959500000000, -0.0001456300000000 ] - [ 0.0002888500000000, 0.0001116600000000, -0.0001981500000000 ] - [ -0.0000008300000000, 0.0002405500000000, 0.0000343800000000 ] - [ 0.0001858500000000, 0.0000143100000000, -0.0003387700000000 ] - [ -0.0001918000000000, -0.0000122700000000, -0.0001181500000000 ] - [ 0.0000981600000000, -0.0000747500000000, -0.0001237700000000 ] - [ 0.0000700200000000, 0.0000526000000000, -0.0001401200000000 ] - [ -0.0001329800000000, 0.0002449700000000, -0.0003695200000000 ] - [ 0.0001401000000000, 0.0001038000000000, -0.0001073900000000 ] - [ -0.0000921400000000, -0.0002847300000000, -0.0003653600000000 ] - [ 0.0017197200000000, 0.0015583000000000, -0.0011926700000000 ] - [ -0.0000747700000000, -0.0001187800000000, -0.0002978400000000 ] - [ 0.0000187300000000, 0.0000148000000000, 0.0003068300000000 ] - [ 0.0002134200000000, -0.0000576900000000, 0.0000373800000000 ] - [ -0.0000855900000000, 0.0001123700000000, -0.0003999900000000 ] - [ 0.0002006500000000, -0.0003624600000000, 0.0002142900000000 ] - [ 0.0002723600000000, 0.0000250300000000, -0.0003741100000000 ] - [ -0.0000182100000000, 0.0004557700000000, 0.0006939400000000 ] - [ 0.0001010400000000, -0.0002272200000000, -0.0001443800000000 ] - [ 0.0012828700000000, -0.0008952400000000, -0.0026815400000000 ] - [ -0.0001401300000000, 0.0002169100000000, 0.0000451800000000 ] - [ -0.0015544800000000, -0.0009461000000000, 0.0037296500000000 ] - [ 0.0000188900000000, 0.0000958700000000, -0.0000168400000000 ] - [ 0.0000415800000000, -0.0000954000000000, -0.0001934400000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0012957500000000, 0.0005560400000000, 0.0011269500000000 ] - [ -0.0003879700000000, -0.0004125800000000, -0.0001121200000000 ] - [ 0.0009547300000000, 0.0013383600000000, 0.0008684500000000 ] - [ 0.0005325400000000, -0.0020840200000000, 0.0024612500000000 ] - [ 0.0000512000000000, -0.0000918300000000, 0.0001261900000000 ] - [ 0.0004573700000000, -0.0000743200000000, 0.0002484900000000 ] - [ 0.0000950100000000, -0.0000526900000000, -0.0001871800000000 ] - [ -0.0000297500000000, -0.0000186400000000, 0.0001761100000000 ] - [ -0.0001872400000000, -0.0001450000000000, 0.0001417800000000 ] - [ -0.0000568000000000, 0.0001153500000000, -0.0000830800000000 ] - [ -0.0000119400000000, -0.0000168000000000, 0.0003632700000000 ] - [ 0.0000247500000000, -0.0000047400000000, 0.0002029300000000 ] - [ 0.0000407100000000, -0.0000427500000000, 0.0002492700000000 ] - [ 0.0002672300000000, 0.0000105900000000, 0.0001449500000000 ] - [ -0.0001091900000000, 0.0000638300000000, 0.0000352300000000 ] - [ -0.0000826600000000, 0.0000014500000000, -0.0002442900000000 ] - [ 0.0000960600000000, 0.0000671200000000, -0.0002297400000000 ] - [ 0.0000244800000000, 0.0000456300000000, 0.0002377600000000 ] - [ -0.0000128600000000, 0.0006251800000000, -0.0014758600000000 ] - [ 0.0000122900000000, 0.0001983200000000, 0.0000299700000000 ] - [ 0.0000995900000000, -0.0000519100000000, -0.0003354400000000 ] - [ -0.0006417400000000, -0.0004038000000000, 0.0068856300000000 ] - [ 0.0002388000000000, -0.0000655200000000, 0.0019465400000000 ] - [ -0.0124018200000000, -0.0086121700000000, -0.0159835300000000 ] - [ 0.0001128400000000, 0.0008554400000000, 0.0019117600000000 ] - [ 0.0169821000000000, -0.0031645100000000, -0.0161939800000000 ] - [ -0.0010280700000000, 0.0014703900000000, -0.0016411700000000 ] - [ -0.0006504200000000, 0.0004146300000000, 0.0000672300000000 ] - [ -0.0006399800000000, -0.0009935100000000, -0.0000129300000000 ] - [ 0.0007264000000000, 0.0006807400000000, 0.0004818000000000 ] - [ 0.0003567500000000, 0.0000566200000000, -0.0006884900000000 ] - [ -0.0000823000000000, -0.0003768300000000, 0.0005538500000000 ] - [ -0.0010292900000000, 0.0000562300000000, 0.0004627800000000 ] - [ -0.0006152700000000, 0.0003093200000000, 0.0002363100000000 ] - [ -0.0002772500000000, 0.0006711200000000, 0.0006393200000000 ] - [ 0.0003050100000000, 0.0006441400000000, 0.0007935400000000 ] - [ 0.0007119900000000, 0.0006907100000000, 0.0003224100000000 ] - [ 0.0003742800000000, -0.0004352200000000, 0.0008462200000000 ] - [ -0.0006182100000000, -0.0003690300000000, 0.0010923500000000 ] - [ 0.0001136900000000, -0.0000476100000000, 0.0000129400000000 ] - [ 0.0002968100000000, -0.0001506500000000, -0.0001185400000000 ] - [ -0.0000257800000000, 0.0000529700000000, -0.0003763800000000 ] - [ -0.0003903300000000, 0.0002083700000000, -0.0002125300000000 ] - [ 0.0003847700000000, -0.0016352500000000, -0.0003556100000000 ] - [ 0.0009638000000000, 0.0000910900000000, 0.0020013200000000 ] - [ -0.0001204400000000, -0.0000040900000000, -0.0001315900000000 ] - [ -0.0000873200000000, -0.0002106700000000, -0.0006602600000000 ] - [ 0.0004854200000000, 0.0004411900000000, -0.0005708100000000 ] - [ 0.0000730900000000, -0.0001530000000000, -0.0026390500000000 ] - [ 0.0072667600000000, 0.0042726300000000, -0.0001716500000000 ] - [ 0.0000128600000000, 0.0001906900000000, -0.0005816000000000 ] - [ 0.0000668800000000, -0.0000218300000000, 0.0001183600000000 ] - [ 0.0002697500000000, -0.0002412400000000, -0.0006490000000000 ] - [ -0.0058470600000000, 0.0187662900000000, 0.0349955400000000 ] - [ -0.0000233500000000, -0.0001416300000000, -0.0003506100000000 ] - [ 0.0001633800000000, -0.0004909000000000, 0.0006892000000000 ] - [ -0.0004482700000000, -0.0000501700000000, -0.0001211900000000 ] - [ -0.0073793300000000, 0.0002239300000000, 0.0003876000000000 ] - [ 0.0030574400000000, -0.0122198500000000, -0.0043528300000000 ] - [ -0.0001146600000000, 0.0001030000000000, -0.0005538300000000 ] - [ -0.0001913500000000, 0.0005802400000000, 0.0002383900000000 ] - [ 0.0001429000000000, -0.0000029000000000, 0.0000600300000000 ] - [ 0.0001511000000000, -0.0002939600000000, 0.0006897600000000 ] - [ -0.0001172100000000, 0.0001036000000000, 0.0001009700000000 ] - [ 0.0000128400000000, -0.0004672700000000, -0.0001364000000000 ] - [ 0.0001817500000000, -0.0000373300000000, -0.0000296600000000 ] - [ 0.0015851000000000, -0.0000568600000000, 0.0007347700000000 ] - [ 0.0000860200000000, -0.0000128400000000, -0.0000260400000000 ] - [ -0.0000452400000000, 0.0001245400000000, 0.0001162800000000 ] - [ 0.0000425700000000, -0.0001310400000000, -0.0000846700000000 ] - [ 0.0000770800000000, -0.0000122000000000, -0.0003413900000000 ] - [ -0.0001094200000000, -0.0000091700000000, 0.0000293000000000 ] - [ 0.0000020600000000, -0.0002377600000000, -0.0001035000000000 ] - [ 0.0003813300000000, 0.0007634100000000, -0.0002268200000000 ] - [ -0.0000468400000000, -0.0001390700000000, -0.0000289600000000 ] - [ -0.0000269600000000, -0.0003077300000000, -0.0001667400000000 ] - [ 0.0000932500000000, -0.0003170700000000, -0.0006184100000000 ] - [ -0.0000107400000000, 0.0001740600000000, -0.0000174000000000 ] - [ 0.0003322100000000, -0.0000675600000000, -0.0001073300000000 ] - [ -0.0000073000000000, 0.0001909200000000, 0.0001699900000000 ] - [ 0.0001956400000000, -0.0000389100000000, -0.0005778600000000 ] - [ -0.0001030700000000, -0.0001039100000000, 0.0001092500000000 ] - [ 0.0001499400000000, 0.0000093100000000, -0.0001188700000000 ] - [ 0.0001319600000000, -0.0000270900000000, -0.0000137100000000 ] - [ -0.0001620800000000, 0.0002007200000000, -0.0004701500000000 ] - [ 0.0000987600000000, -0.0000175100000000, -0.0000062300000000 ] - [ -0.0001442600000000, -0.0002644800000000, -0.0004664600000000 ] - [ -0.0000408200000000, 0.0001319800000000, 0.0000653000000000 ] - [ -0.0001143000000000, -0.0001717000000000, -0.0005512800000000 ] - [ 0.0000253800000000, -0.0000046200000000, 0.0002418900000000 ] - [ 0.0001088300000000, -0.0000059000000000, 0.0002590600000000 ] - [ -0.0000589200000000, 0.0002020300000000, -0.0005859200000000 ] - [ 0.0002197400000000, 0.0001816100000000, -0.0001484600000000 ] - [ 0.0004089400000000, 0.0000036400000000, -0.0004752400000000 ] - [ 0.0000316800000000, -0.0002052600000000, -0.0004049700000000 ] - [ -0.0006764700000000, 0.0002867500000000, -0.0000679500000000 ] - [ 0.0001169300000000, -0.0000843600000000, 0.0000261300000000 ] - [ -0.0000383400000000, 0.0000100100000000, -0.0002313900000000 ] - [ -0.0000554400000000, 0.0000615200000000, -0.0002621700000000 ] - [ -0.0003338900000000, 0.0002540400000000, -0.0005961800000000 ] - [ -0.0024877200000000, 0.0001705500000000, -0.0051969900000000 ] - [ 0.0002794900000000, -0.0002148100000000, -0.0002042400000000 ] - [ 0.0001234300000000, -0.0001882700000000, 0.0001637600000000 ] - [ 0.0002626100000000, 0.0000574400000000, 0.0001533600000000 ] - [ -0.0001430900000000, 0.0001662000000000, -0.0000758900000000 ] - [ -0.0000012700000000, -0.0000443900000000, -0.0000178800000000 ] - [ 0.0001026300000000, -0.0003898700000000, -0.0000703100000000 ] - [ -0.0000046500000000, 0.0000801300000000, 0.0000713800000000 ] - [ -0.0000916200000000, -0.0001504800000000, -0.0001072500000000 ] - [ 0.0003851500000000, 0.0001878600000000, -0.0000576600000000 ] - [ -0.0000147300000000, 0.0001860600000000, 0.0002413800000000 ] - [ 0.0002304500000000, -0.0000579700000000, -0.0003532700000000 ] - [ -0.0001700000000000, -0.0002194600000000, 0.0003925600000000 ] - [ -0.0000035400000000, -0.0000183200000000, 0.0001254900000000 ] - [ 0.0001092900000000, -0.0000295400000000, -0.0001111600000000 ] - [ -0.0001729500000000, 0.0001894200000000, -0.0004140400000000 ] - [ -0.0002083200000000, -0.0002662000000000, -0.0001442900000000 ] - [ -0.0001314800000000, -0.0001952900000000, -0.0004195300000000 ] - [ -0.0017706400000000, -0.0012432000000000, 0.0011951500000000 ] - [ -0.0001745500000000, -0.0002165800000000, -0.0003911800000000 ] - [ -0.0000186100000000, -0.0000126900000000, 0.0001790800000000 ] - [ 0.0001670100000000, -0.0001387800000000, 0.0002368600000000 ] - [ -0.0000822500000000, 0.0002701300000000, -0.0002894200000000 ] - [ 0.0002915000000000, 0.0006509700000000, -0.0002446000000000 ] - [ 0.0002563700000000, 0.0000308100000000, -0.0004097300000000 ] - [ -0.0000279300000000, -0.0004964400000000, -0.0007561800000000 ] - [ -0.0001786600000000, -0.0005091500000000, -0.0001093400000000 ] - [ -0.0010117400000000, 0.0007662400000000, 0.0026924900000000 ] - [ -0.0003528300000000, 0.0000708400000000, -0.0000782100000000 ] - [ 0.0015783800000000, 0.0010277700000000, -0.0038734000000000 ] - [ 0.0000066400000000, 0.0000306900000000, 0.0000172900000000 ] - [ -0.0000634500000000, -0.0001941900000000, 0.0000547900000000 ]- atom: 59 displacement: [ 0.0100000000000000, 0.0000000000065404, 0.0000000000000000 ] forces: - [ -0.0000535400000000, 0.0006277800000000, 0.0006612000000000 ] - [ -0.0005753900000000, -0.0004592300000000, 0.0005912700000000 ] - [ 0.0004629100000000, -0.0002918200000000, -0.0005936600000000 ] - [ 0.0017557400000000, -0.0000017600000000, 0.0003004700000000 ] - [ 0.0004454300000000, -0.0002537700000000, 0.0000717300000000 ] - [ -0.0006162400000000, -0.0000845100000000, -0.0003497800000000 ] - [ -0.0000208000000000, 0.0005182100000000, -0.0004925700000000 ] - [ -0.0000604900000000, -0.0004302600000000, 0.0001136400000000 ] - [ -0.0001264500000000, -0.0006147700000000, 0.0002806800000000 ] - [ 0.0003229800000000, 0.0003063800000000, -0.0000047300000000 ] - [ -0.0003678400000000, 0.0000221000000000, 0.0002945700000000 ] - [ -0.0006685900000000, 0.0000277100000000, 0.0002412000000000 ] - [ -0.0000187100000000, 0.0004816000000000, -0.0000021200000000 ] - [ -0.0005132800000000, 0.0002357100000000, -0.0007686700000000 ] - [ -0.0013706000000000, 0.0006011800000000, 0.0000785000000000 ] - [ -0.0001856400000000, 0.0005645000000000, -0.0001802900000000 ] - [ -0.0013772700000000, -0.0000383600000000, -0.0002163700000000 ] - [ -0.0002691400000000, -0.0000692400000000, 0.0003033800000000 ] - [ 0.0009902000000000, 0.0005040800000000, 0.0001677000000000 ] - [ -0.0003250400000000, -0.0013401200000000, 0.0001126400000000 ] - [ -0.0000743200000000, -0.0007717200000000, -0.0001253300000000 ] - [ 0.0056110300000000, 0.0020130000000000, -0.0014643000000000 ] - [ 0.0027319900000000, -0.0045323400000000, -0.0047849400000000 ] - [ -0.0006842900000000, 0.0045969300000000, 0.0056703500000000 ] - [ 0.0001485700000000, 0.0024923600000000, 0.0070136200000000 ] - [ 0.0089309800000000, -0.0108026400000000, -0.0030880800000000 ] - [ 0.0158100400000000, 0.0047598200000000, -0.0007170700000000 ] - [ -0.0004430500000000, 0.0003396400000000, 0.0003571700000000 ] - [ -0.0044913300000000, -0.0018817600000000, 0.0002669300000000 ] - [ -0.0004285800000000, -0.0005424300000000, 0.0001404500000000 ] - [ -0.0028096100000000, 0.0040192200000000, 0.0002238600000000 ] - [ -0.0002415200000000, 0.0004510100000000, 0.0007069000000000 ] - [ -0.0030190200000000, 0.0003674500000000, 0.0006950500000000 ] - [ -0.0028142100000000, 0.0003147400000000, 0.0001322500000000 ] - [ 0.0000661600000000, 0.0001502800000000, 0.0003887300000000 ] - [ -0.0010137900000000, 0.0017126000000000, 0.0009392000000000 ] - [ 0.0000670600000000, -0.0009908800000000, 0.0003341100000000 ] - [ -0.0016944400000000, -0.0016605500000000, -0.0001002300000000 ] - [ -0.0002406500000000, -0.0003158900000000, 0.0007666300000000 ] - [ 0.0007999000000000, -0.0001167500000000, -0.0007723900000000 ] - [ 0.0007003800000000, -0.0004298700000000, 0.0000470100000000 ] - [ 0.0000413800000000, 0.0000250000000000, -0.0000276500000000 ] - [ 0.0002338500000000, 0.0005720700000000, 0.0001897800000000 ] - [ -0.0003356100000000, -0.0004229800000000, -0.0000551300000000 ] - [ 0.0013583300000000, -0.0042758400000000, -0.0005033300000000 ] - [ -0.0000212600000000, 0.0003563200000000, 0.0002032700000000 ] - [ -0.0006928200000000, -0.0005310700000000, 0.0008814600000000 ] - [ -0.0002084400000000, 0.0000143800000000, -0.0000035600000000 ] - [ -0.0005735300000000, 0.0001100000000000, 0.0003179000000000 ] - [ -0.0007065800000000, -0.0001853900000000, -0.0052262700000000 ] - [ -0.0005488400000000, 0.0000302100000000, 0.0004765300000000 ] - [ 0.0004013200000000, 0.0006861600000000, -0.0002501900000000 ] - [ -0.0014497800000000, 0.0011262000000000, -0.0007733200000000 ] - [ -0.0091556300000000, -0.0052267800000000, -0.0034775600000000 ] - [ -0.0026308300000000, -0.0005993900000000, -0.0002946100000000 ] - [ 0.0013248200000000, 0.0110458500000000, -0.0093523300000000 ] - [ 0.0002207300000000, 0.0005784600000000, 0.0000005200000000 ] - [ -0.0010721000000000, -0.0000822600000000, 0.0031068700000000 ] - [ -0.0399566900000000, -0.0000447600000000, -0.0000426100000000 ] - [ -0.0001267900000000, -0.0001719100000000, -0.0003337400000000 ] - [ -0.0012627800000000, 0.0001543900000000, 0.0007772900000000 ] - [ -0.0012316900000000, -0.0002736600000000, 0.0002176900000000 ] - [ 0.0110981200000000, -0.0060531900000000, 0.0117364100000000 ] - [ 0.0003031800000000, 0.0004840600000000, 0.0003553000000000 ] - [ 0.0003724100000000, -0.0011839900000000, -0.0002823300000000 ] - [ 0.0000775700000000, -0.0003555600000000, -0.0000214600000000 ] - [ 0.0028051200000000, 0.0003854800000000, 0.0001583700000000 ] - [ 0.0000743500000000, -0.0001602100000000, -0.0000340900000000 ] - [ 0.0010013300000000, -0.0002333400000000, 0.0004736300000000 ] - [ 0.0003644500000000, -0.0001765200000000, -0.0002003400000000 ] - [ 0.0000882100000000, 0.0002060600000000, -0.0002600500000000 ] - [ -0.0003461600000000, 0.0002590800000000, -0.0001006000000000 ] - [ -0.0018208800000000, 0.0023039300000000, -0.0005868200000000 ] - [ 0.0023697600000000, 0.0017474900000000, -0.0009959800000000 ] - [ -0.0004849300000000, 0.0008570300000000, 0.0003811400000000 ] - [ -0.0001071300000000, 0.0000722200000000, -0.0000914900000000 ] - [ 0.0050575300000000, 0.0001649100000000, -0.0039725200000000 ] - [ 0.0003233400000000, 0.0007156800000000, -0.0000661500000000 ] - [ -0.0000852500000000, -0.0010541200000000, -0.0004385600000000 ] - [ -0.0000555300000000, 0.0002170300000000, 0.0000889900000000 ] - [ 0.0003290000000000, 0.0001377300000000, -0.0004356500000000 ] - [ 0.0003329500000000, 0.0000194100000000, -0.0001149100000000 ] - [ 0.0005897000000000, 0.0002396300000000, -0.0003602800000000 ] - [ 0.0007597700000000, -0.0007409700000000, -0.0000049500000000 ] - [ 0.0000479300000000, 0.0003053400000000, -0.0004293100000000 ] - [ 0.0016977000000000, 0.0001218100000000, -0.0000787700000000 ] - [ 0.0003953100000000, -0.0003440300000000, -0.0004699800000000 ] - [ -0.0000333000000000, -0.0002074100000000, 0.0000513000000000 ] - [ -0.0000719500000000, -0.0002962400000000, -0.0004457300000000 ] - [ 0.0003447300000000, -0.0000923100000000, 0.0002027700000000 ] - [ 0.0005307300000000, -0.0005112000000000, 0.0005719800000000 ] - [ 0.0002935000000000, 0.0001591200000000, -0.0004418800000000 ] - [ 0.0007449000000000, 0.0002541500000000, -0.0001908200000000 ] - [ 0.0004838900000000, -0.0002020900000000, -0.0004453500000000 ] - [ 0.0000706600000000, -0.0003324100000000, -0.0004070600000000 ] - [ 0.0034296900000000, -0.0028691700000000, 0.0011600600000000 ] - [ 0.0006881300000000, 0.0002467800000000, 0.0003223700000000 ] - [ -0.0002606300000000, -0.0001477600000000, -0.0000967100000000 ] - [ 0.0004464000000000, 0.0000258700000000, 0.0001791900000000 ] - [ -0.0004329000000000, -0.0001819600000000, 0.0002911200000000 ] - [ -0.0002983200000000, -0.0051244100000000, 0.0046537500000000 ] - [ 0.0015571400000000, -0.0031706600000000, -0.0016883000000000 ] - [ 0.0002006600000000, -0.0009140900000000, 0.0001734500000000 ] - [ 0.0009903400000000, 0.0000048900000000, 0.0005917400000000 ] - [ -0.0002675500000000, -0.0000857700000000, -0.0000565100000000 ] - [ 0.0007653000000000, -0.0001716000000000, -0.0000996800000000 ] - [ 0.0008499800000000, -0.0010213100000000, -0.0003183800000000 ] - [ 0.0001329700000000, -0.0005514300000000, -0.0006968100000000 ] - [ 0.0000829000000000, -0.0000967400000000, -0.0001047200000000 ] - [ 0.0010137600000000, 0.0003033800000000, -0.0003552100000000 ] - [ 0.0004753900000000, 0.0002149000000000, 0.0001516900000000 ] - [ 0.0004974400000000, -0.0003242700000000, -0.0005034300000000 ] - [ -0.0001594700000000, -0.0002629700000000, 0.0001448400000000 ] - [ -0.0001185200000000, -0.0007927800000000, 0.0001834600000000 ] - [ 0.0004371600000000, 0.0000124700000000, -0.0001787200000000 ] - [ 0.0006870700000000, 0.0002936000000000, -0.0004185000000000 ] - [ 0.0000594800000000, 0.0000183500000000, -0.0001010800000000 ] - [ 0.0000433500000000, -0.0005314900000000, -0.0003841500000000 ] - [ 0.0034865000000000, 0.0037974900000000, -0.0012227700000000 ] - [ 0.0003195900000000, 0.0001197000000000, -0.0000508600000000 ] - [ 0.0003451400000000, 0.0000947900000000, 0.0002424700000000 ] - [ 0.0003095600000000, 0.0002308900000000, 0.0001193000000000 ] - [ -0.0002275300000000, 0.0003221000000000, -0.0004776400000000 ] - [ -0.0002273800000000, -0.0002584200000000, 0.0000156000000000 ] - [ 0.0004400800000000, 0.0005144400000000, -0.0003746900000000 ] - [ 0.0039696600000000, 0.0033882100000000, 0.0049203700000000 ] - [ -0.0000845600000000, 0.0001203800000000, 0.0000310400000000 ] - [ -0.0018041200000000, 0.0041623600000000, 0.0010860800000000 ] - [ 0.0002374800000000, 0.0007274800000000, 0.0002482900000000 ] - [ -0.0029550200000000, 0.0023353200000000, -0.0034167100000000 ] - [ -0.0001697800000000, 0.0004711500000000, -0.0000827300000000 ] - [ 0.0000429500000000, 0.0000310900000000, -0.0001017700000000 ]- atom: 59 displacement: [ -0.0100000000000000, -0.0000000000065404, 0.0000000000000000 ] forces: - [ -0.0000234300000000, -0.0007145600000000, -0.0004103900000000 ] - [ 0.0005143700000000, 0.0003618800000000, -0.0009271000000000 ] - [ -0.0005185400000000, 0.0003969500000000, 0.0002642500000000 ] - [ -0.0017612600000000, 0.0000079200000000, 0.0003001900000000 ] - [ -0.0003414600000000, 0.0002270200000000, 0.0001877800000000 ] - [ 0.0005833400000000, 0.0001914200000000, 0.0006059800000000 ] - [ 0.0001471500000000, -0.0005199600000000, 0.0001671800000000 ] - [ -0.0000151000000000, 0.0003484100000000, 0.0001199900000000 ] - [ 0.0000666000000000, 0.0005053900000000, -0.0006089800000000 ] - [ -0.0003822700000000, -0.0002028200000000, -0.0003285600000000 ] - [ 0.0003692700000000, -0.0000250800000000, 0.0002943000000000 ] - [ 0.0007769600000000, -0.0000495900000000, -0.0000061600000000 ] - [ -0.0000156400000000, -0.0003810300000000, 0.0002392300000000 ] - [ 0.0006409000000000, -0.0002360200000000, 0.0004441800000000 ] - [ 0.0013036200000000, -0.0006746300000000, 0.0001598900000000 ] - [ 0.0001292400000000, -0.0006783000000000, -0.0001686700000000 ] - [ 0.0013271900000000, 0.0001474400000000, -0.0001310100000000 ] - [ 0.0002713500000000, 0.0000697200000000, 0.0003031400000000 ] - [ -0.0008899800000000, -0.0005266500000000, 0.0000709300000000 ] - [ 0.0002830400000000, 0.0014500200000000, 0.0001283300000000 ] - [ 0.0001972500000000, 0.0007697200000000, -0.0002229400000000 ] - [ -0.0069171900000000, -0.0014873700000000, 0.0019695500000000 ] - [ -0.0026023300000000, 0.0032092300000000, 0.0052932600000000 ] - [ 0.0007103700000000, -0.0034220700000000, -0.0043668600000000 ] - [ 0.0009616400000000, -0.0016181700000000, -0.0065039700000000 ] - [ -0.0080757400000000, 0.0099909500000000, 0.0043391200000000 ] - [ -0.0169453100000000, -0.0047993200000000, 0.0019031900000000 ] - [ -0.0008408000000000, 0.0001092200000000, 0.0002048500000000 ] - [ 0.0047054400000000, 0.0005326300000000, 0.0002954200000000 ] - [ 0.0011814200000000, 0.0015025400000000, 0.0008917600000000 ] - [ 0.0038887600000000, -0.0031984500000000, 0.0003425200000000 ] - [ 0.0007153600000000, -0.0016090700000000, 0.0003241200000000 ] - [ 0.0018212600000000, -0.0002083400000000, 0.0003328100000000 ] - [ 0.0015598100000000, 0.0001843600000000, 0.0004344200000000 ] - [ 0.0001398700000000, -0.0014960000000000, 0.0001814100000000 ] - [ 0.0017704100000000, -0.0007531100000000, 0.0001294700000000 ] - [ 0.0009862700000000, 0.0018444200000000, 0.0002342300000000 ] - [ 0.0021611600000000, 0.0005428200000000, 0.0011759900000000 ] - [ -0.0009624800000000, 0.0004787100000000, 0.0003064300000000 ] - [ -0.0007703800000000, 0.0000631500000000, 0.0004752100000000 ] - [ -0.0008830100000000, 0.0001560300000000, -0.0000294900000000 ] - [ 0.0001768500000000, 0.0001559700000000, 0.0000112200000000 ] - [ -0.0008217800000000, -0.0001415800000000, -0.0002547700000000 ] - [ 0.0001746800000000, 0.0003374200000000, 0.0001682000000000 ] - [ -0.0013670300000000, 0.0037601400000000, 0.0004223200000000 ] - [ -0.0002452800000000, -0.0002531500000000, -0.0002198800000000 ] - [ 0.0005996300000000, 0.0006803600000000, -0.0010113800000000 ] - [ 0.0008827000000000, 0.0002805200000000, -0.0000607900000000 ] - [ 0.0005380100000000, 0.0002538700000000, -0.0000103900000000 ] - [ 0.0011632200000000, 0.0001465000000000, 0.0043794600000000 ] - [ 0.0002555700000000, -0.0002535000000000, -0.0001694300000000 ] - [ -0.0002430200000000, -0.0007858900000000, 0.0003616700000000 ] - [ 0.0016334300000000, -0.0011174200000000, 0.0006506600000000 ] - [ 0.0088828500000000, 0.0056097600000000, 0.0025966900000000 ] - [ 0.0025493100000000, 0.0004352800000000, 0.0001770500000000 ] - [ -0.0014730000000000, -0.0117189300000000, 0.0086280400000000 ] - [ -0.0003763100000000, -0.0002905300000000, 0.0000151100000000 ] - [ 0.0008174200000000, -0.0002833200000000, -0.0040004100000000 ] - [ 0.0400148300000000, -0.0000474300000000, -0.0000446100000000 ] - [ 0.0004628900000000, 0.0000234600000000, 0.0006392100000000 ] - [ 0.0010782900000000, 0.0002354300000000, -0.0017222500000000 ] - [ 0.0017382000000000, 0.0005765800000000, -0.0003044100000000 ] - [ -0.0103822600000000, 0.0060288700000000, -0.0123206300000000 ] - [ -0.0003654700000000, -0.0004897500000000, -0.0006553900000000 ] - [ -0.0004576500000000, 0.0004504000000000, 0.0002197100000000 ] - [ 0.0002469700000000, 0.0003577200000000, 0.0000400600000000 ] - [ -0.0032949900000000, -0.0001045400000000, -0.0002439200000000 ] - [ -0.0000465300000000, 0.0002247000000000, -0.0002713200000000 ] - [ -0.0010019300000000, 0.0004132000000000, -0.0003625900000000 ] - [ -0.0003204800000000, -0.0001040300000000, 0.0001847200000000 ] - [ 0.0000048100000000, -0.0001849900000000, -0.0000658800000000 ] - [ 0.0001563800000000, -0.0005145400000000, 0.0002838800000000 ] - [ 0.0021278100000000, -0.0021622900000000, 0.0007072800000000 ] - [ -0.0029523500000000, -0.0013047900000000, 0.0008133300000000 ] - [ 0.0003553100000000, -0.0009020600000000, -0.0001714900000000 ] - [ 0.0001095300000000, -0.0006411100000000, -0.0001611800000000 ] - [ -0.0052145500000000, 0.0000204700000000, 0.0040091500000000 ] - [ -0.0004246700000000, -0.0005662400000000, -0.0000334700000000 ] - [ 0.0007630300000000, 0.0013765000000000, 0.0002694400000000 ] - [ 0.0000412700000000, 0.0002090200000000, 0.0002784200000000 ] - [ 0.0000795700000000, -0.0002081900000000, -0.0004479000000000 ] - [ -0.0006912200000000, -0.0002488000000000, 0.0004785900000000 ] - [ -0.0004919100000000, -0.0003391400000000, 0.0005664800000000 ] - [ -0.0005902700000000, 0.0007738600000000, -0.0000939400000000 ] - [ -0.0003915700000000, 0.0001349500000000, -0.0004670800000000 ] - [ -0.0017731000000000, -0.0002833100000000, -0.0000198700000000 ] - [ -0.0006072100000000, -0.0001665500000000, -0.0004272800000000 ] - [ -0.0000998700000000, 0.0004969800000000, 0.0001314300000000 ] - [ -0.0001978900000000, -0.0000176300000000, -0.0004350500000000 ] - [ -0.0003470900000000, 0.0000970200000000, 0.0002023200000000 ] - [ -0.0001563300000000, 0.0003208000000000, -0.0002124300000000 ] - [ -0.0004352300000000, 0.0002310200000000, -0.0004419100000000 ] - [ -0.0002562600000000, 0.0000274200000000, -0.0000603000000000 ] - [ 0.0000648800000000, 0.0002892600000000, -0.0004506700000000 ] - [ -0.0000969700000000, 0.0002371800000000, 0.0000818200000000 ] - [ -0.0035549400000000, 0.0021628300000000, -0.0013571000000000 ] - [ -0.0003742500000000, -0.0002800300000000, -0.0001426700000000 ] - [ -0.0002315000000000, 0.0004357000000000, -0.0001564200000000 ] - [ -0.0005116500000000, 0.0000433100000000, -0.0005042200000000 ] - [ 0.0004655600000000, 0.0003158100000000, -0.0000840700000000 ] - [ 0.0002842000000000, 0.0048857600000000, -0.0046211300000000 ] - [ -0.0015019400000000, 0.0031264700000000, 0.0016009500000000 ] - [ -0.0004831800000000, 0.0007153600000000, -0.0001620900000000 ] - [ -0.0007290300000000, 0.0001206300000000, -0.0007293500000000 ] - [ -0.0003281900000000, 0.0005232600000000, -0.0001988500000000 ] - [ -0.0008920100000000, 0.0001329300000000, 0.0001007700000000 ] - [ -0.0008572900000000, 0.0004487600000000, 0.0002823000000000 ] - [ -0.0003772500000000, 0.0007286000000000, 0.0005649200000000 ] - [ -0.0001892500000000, 0.0002387200000000, -0.0001521000000000 ] - [ -0.0003439300000000, -0.0000086000000000, 0.0001023200000000 ] - [ -0.0004928600000000, 0.0002076400000000, 0.0001261700000000 ] - [ -0.0000822900000000, 0.0002787900000000, -0.0001837600000000 ] - [ -0.0002015800000000, 0.0000331700000000, 0.0001319000000000 ] - [ 0.0002141300000000, 0.0007099300000000, -0.0001852700000000 ] - [ -0.0002579500000000, 0.0000082900000000, -0.0000756800000000 ] - [ -0.0009965200000000, 0.0001366000000000, -0.0003660300000000 ] - [ -0.0001298300000000, -0.0001824600000000, -0.0001540700000000 ] - [ -0.0002662200000000, 0.0000532300000000, -0.0004014600000000 ] - [ -0.0035879400000000, -0.0035490500000000, 0.0012574900000000 ] - [ -0.0005721800000000, -0.0004594000000000, -0.0006382700000000 ] - [ -0.0003466100000000, -0.0000945500000000, 0.0002420300000000 ] - [ 0.0000692400000000, -0.0004274300000000, 0.0001564400000000 ] - [ 0.0000603400000000, 0.0000624000000000, -0.0002115000000000 ] - [ 0.0007232000000000, 0.0005400200000000, -0.0000503400000000 ] - [ 0.0000864200000000, -0.0004617300000000, -0.0004099700000000 ] - [ -0.0040840000000000, -0.0035104700000000, -0.0051046800000000 ] - [ 0.0000047400000000, -0.0008554900000000, -0.0002838600000000 ] - [ 0.0020896300000000, -0.0042294800000000, -0.0010586600000000 ] - [ -0.0007224200000000, -0.0004412100000000, -0.0002853800000000 ] - [ 0.0029156200000000, -0.0022894100000000, 0.0033181600000000 ] - [ 0.0002024000000000, -0.0003455000000000, 0.0000844900000000 ] - [ -0.0000629800000000, -0.0003178000000000, -0.0000416000000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000298300000000, -0.0001786900000000, -0.0003581500000000 ] - [ 0.0001302600000000, 0.0000359900000000, -0.0006701300000000 ] - [ -0.0000339600000000, -0.0001308000000000, -0.0006701300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013586900000000 ] - [ 0.0001398300000000, 0.0001151800000000, -0.0003581500000000 ] - [ -0.0001696600000000, 0.0000635100000000, -0.0003581500000000 ] - [ -0.0000963000000000, 0.0000948100000000, -0.0006701300000000 ] - [ -0.0000595900000000, -0.0002015300000000, 0.0001373000000000 ] - [ 0.0002828600000000, 0.0002269700000000, -0.0001703100000000 ] - [ 0.0000551300000000, -0.0003584500000000, -0.0001703100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003286100000000 ] - [ 0.0002043300000000, 0.0000491600000000, 0.0001373000000000 ] - [ -0.0001447400000000, 0.0001523700000000, 0.0001373000000000 ] - [ -0.0003379900000000, 0.0001314800000000, -0.0001703100000000 ] - [ -0.0003779300000000, 0.0000681700000000, 0.0006190700000000 ] - [ -0.0001391400000000, 0.0000157900000000, -0.0000305500000000 ] - [ 0.0000832400000000, 0.0001126100000000, -0.0000305500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003833500000000 ] - [ 0.0001299300000000, -0.0003613800000000, 0.0006190700000000 ] - [ 0.0002480000000000, 0.0002932100000000, 0.0006190700000000 ] - [ 0.0000559000000000, -0.0001283900000000, -0.0000305500000000 ] - [ -0.0020694100000000, 0.0058359700000000, -0.0035692000000000 ] - [ -0.0040193900000000, -0.0047101400000000, -0.0035692000000000 ] - [ 0.0011472500000000, 0.0005291400000000, 0.0131455000000000 ] - [ 0.0060888000000000, -0.0011258300000000, -0.0035692000000000 ] - [ -0.0001153800000000, -0.0012581200000000, 0.0131455000000000 ] - [ -0.0010318700000000, 0.0007289800000000, 0.0131455000000000 ] - [ -0.0003863900000000, 0.0007536000000000, 0.0008237600000000 ] - [ -0.0004594400000000, -0.0007114300000000, 0.0008237600000000 ] - [ 0.0003859100000000, 0.0004451500000000, 0.0000809300000000 ] - [ 0.0008458400000000, -0.0000421800000000, 0.0008237600000000 ] - [ 0.0001925500000000, -0.0005567800000000, 0.0000809300000000 ] - [ -0.0005784600000000, 0.0001116400000000, 0.0000809300000000 ] - [ -0.0007592400000000, 0.0003535300000000, -0.0001965400000000 ] - [ 0.0000734500000000, -0.0008342800000000, -0.0001965400000000 ] - [ 0.0008340400000000, 0.0000224300000000, 0.0005745400000000 ] - [ 0.0006857900000000, 0.0004807500000000, -0.0001965400000000 ] - [ -0.0003976000000000, -0.0007335200000000, 0.0005745400000000 ] - [ -0.0004364500000000, 0.0007110900000000, 0.0005745400000000 ] - [ -0.0001070700000000, -0.0000081900000000, -0.0000360300000000 ] - [ -0.0000619700000000, -0.0001497200000000, 0.0001859000000000 ] - [ 0.0002025400000000, 0.0000017300000000, 0.0002194900000000 ] - [ 0.0004310400000000, 0.0002815300000000, 0.0001972900000000 ] - [ -0.0001572300000000, 0.0002207800000000, 0.0002499500000000 ] - [ -0.0005701400000000, 0.0005195100000000, -0.0002049400000000 ] - [ -0.0001027700000000, 0.0001745400000000, 0.0002194900000000 ] - [ 0.0009227800000000, -0.0001876800000000, 0.0013379500000000 ] - [ 0.0000282900000000, -0.0005140600000000, 0.0001972900000000 ] - [ -0.0000334900000000, 0.0001587700000000, 0.0014060000000000 ] - [ -0.0003795900000000, 0.0001612200000000, 0.0002630100000000 ] - [ -0.0001207600000000, -0.0001083900000000, 0.0014060000000000 ] - [ -0.0001125800000000, -0.0002465500000000, 0.0002499500000000 ] - [ -0.0006239300000000, -0.0007053100000000, 0.0013379500000000 ] - [ -0.0031066400000000, 0.0119294000000000, 0.0042626200000000 ] - [ -0.0002988500000000, 0.0008930000000000, 0.0013379500000000 ] - [ -0.0087778400000000, -0.0086551300000000, 0.0042626200000000 ] - [ -0.0000986700000000, 0.0001285300000000, 0.0001859000000000 ] - [ 0.0003294200000000, 0.0002481300000000, 0.0002630100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0376094400000000 ] - [ 0.0001542500000000, -0.0000503800000000, 0.0014060000000000 ] - [ 0.0000501700000000, -0.0004093500000000, 0.0002630100000000 ] - [ -0.0001648400000000, -0.0007535200000000, -0.0002049400000000 ] - [ 0.0118844900000000, -0.0032742700000000, 0.0042626200000000 ] - [ 0.0000464400000000, 0.0000968200000000, -0.0000360300000000 ] - [ -0.0004593400000000, 0.0002325300000000, 0.0001972900000000 ] - [ 0.0001606500000000, 0.0000211900000000, 0.0001859000000000 ] - [ 0.0007349800000000, 0.0002340000000000, -0.0002049400000000 ] - [ 0.0000606300000000, -0.0000886300000000, -0.0000360300000000 ] - [ 0.0002698100000000, 0.0000257800000000, 0.0002499500000000 ] - [ -0.0000997800000000, -0.0001762700000000, 0.0002194900000000 ] - [ -0.0000362100000000, -0.0000607100000000, 0.0000401800000000 ] - [ -0.0001880600000000, -0.0001983500000000, 0.0000044600000000 ] - [ 0.0002625700000000, 0.0029260300000000, -0.0015428300000000 ] - [ 0.0006168800000000, 0.0007372900000000, -0.0008499100000000 ] - [ -0.0001272800000000, 0.0007351000000000, 0.0004549600000000 ] - [ -0.0000019600000000, -0.0002562300000000, -0.0000234900000000 ] - [ -0.0026653000000000, -0.0012356200000000, -0.0015428300000000 ] - [ -0.0000538100000000, 0.0000850700000000, -0.0000921800000000 ] - [ 0.0003300800000000, -0.0009028800000000, -0.0008499100000000 ] - [ -0.0000362300000000, 0.0002787200000000, -0.0000965500000000 ] - [ 0.0001603200000000, -0.0000382000000000, -0.0003080000000000 ] - [ -0.0002232700000000, -0.0001707300000000, -0.0000965500000000 ] - [ -0.0005729700000000, -0.0004777800000000, 0.0004549600000000 ] - [ 0.0001005800000000, 0.0000040700000000, -0.0000921800000000 ] - [ -0.0001766700000000, 0.0002330000000000, -0.0003841200000000 ] - [ -0.0000467700000000, -0.0000891400000000, -0.0000921800000000 ] - [ -0.0001134500000000, -0.0002695000000000, -0.0003841200000000 ] - [ -0.0000777400000000, 0.0002620400000000, 0.0000044600000000 ] - [ -0.0001132400000000, -0.0001197400000000, -0.0003080000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002593600000000 ] - [ 0.0002594900000000, -0.0001079900000000, -0.0000965500000000 ] - [ -0.0000470700000000, 0.0001579400000000, -0.0003080000000000 ] - [ 0.0002228900000000, 0.0001264200000000, -0.0000234900000000 ] - [ 0.0002901200000000, 0.0000365000000000, -0.0003841200000000 ] - [ -0.0000344700000000, 0.0000617200000000, 0.0000401800000000 ] - [ -0.0009469500000000, 0.0001655900000000, -0.0008499100000000 ] - [ 0.0002658000000000, -0.0000636900000000, 0.0000044600000000 ] - [ -0.0002209200000000, 0.0001298200000000, -0.0000234900000000 ] - [ 0.0000706800000000, -0.0000010100000000, 0.0000401800000000 ] - [ 0.0007002600000000, -0.0002573200000000, 0.0004549600000000 ] - [ 0.0024027300000000, -0.0016904100000000, -0.0015428300000000 ] - [ -0.0012801800000000, 0.0025231100000000, -0.0016410800000000 ] - [ 0.0009406600000000, -0.0005265400000000, 0.0000568800000000 ] - [ 0.0002182100000000, 0.0000625400000000, 0.0000282200000000 ] - [ -0.0002499100000000, 0.0001677200000000, -0.0000508900000000 ] - [ -0.0000391100000000, -0.0001232900000000, -0.0001732000000000 ] - [ -0.0006454000000000, 0.0000875700000000, -0.0001912500000000 ] - [ -0.0001632600000000, 0.0001577000000000, 0.0000282200000000 ] - [ -0.0000314100000000, 0.0000624600000000, -0.0000778700000000 ] - [ 0.0002702100000000, 0.0001325700000000, -0.0000508900000000 ] - [ 0.0000196300000000, 0.0001807700000000, 0.0001808400000000 ] - [ 0.0002099000000000, -0.0000135500000000, -0.0006049000000000 ] - [ -0.0001663700000000, -0.0000733800000000, 0.0001808400000000 ] - [ 0.0001263300000000, 0.0000277700000000, -0.0001732000000000 ] - [ 0.0000698000000000, -0.0000040300000000, -0.0000778700000000 ] - [ -0.0001750700000000, 0.0002129500000000, -0.0004307900000000 ] - [ -0.0000383900000000, -0.0000584400000000, -0.0000778700000000 ] - [ -0.0000968900000000, -0.0002580900000000, -0.0004307900000000 ] - [ -0.0009263300000000, -0.0005513700000000, 0.0000568800000000 ] - [ -0.0001166900000000, -0.0001750100000000, -0.0006049000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002989700000000 ] - [ 0.0001467400000000, -0.0001073900000000, 0.0001808400000000 ] - [ -0.0000932200000000, 0.0001885600000000, -0.0006049000000000 ] - [ 0.0002468600000000, -0.0006027200000000, -0.0001912500000000 ] - [ 0.0002719600000000, 0.0000451400000000, -0.0004307900000000 ] - [ 0.0028251700000000, -0.0001528900000000, -0.0016410800000000 ] - [ -0.0000203000000000, -0.0003002900000000, -0.0000508900000000 ] - [ -0.0000143400000000, 0.0010779100000000, 0.0000568800000000 ] - [ 0.0003985400000000, 0.0005151400000000, -0.0001912500000000 ] - [ -0.0015449900000000, -0.0023702200000000, -0.0016410800000000 ] - [ -0.0000872100000000, 0.0000955200000000, -0.0001732000000000 ] - [ -0.0000549400000000, -0.0002202400000000, 0.0000282200000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001008000000000, 0.0000958000000000, 0.0006209500000000 ] - [ -0.0001899300000000, -0.0001412800000000, 0.0003456600000000 ] - [ -0.0000273800000000, 0.0002351200000000, 0.0003456600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019683300000000 ] - [ -0.0000325700000000, -0.0001351900000000, 0.0006209500000000 ] - [ 0.0001333600000000, 0.0000393900000000, 0.0006209500000000 ] - [ 0.0002173100000000, -0.0000938500000000, 0.0003456600000000 ] - [ -0.0000105800000000, 0.0001203000000000, 0.0000999000000000 ] - [ -0.0003455000000000, -0.0003388500000000, -0.0001596600000000 ] - [ -0.0001207000000000, 0.0004686300000000, -0.0001596600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002689300000000 ] - [ -0.0000988900000000, -0.0000693200000000, 0.0000999000000000 ] - [ 0.0001094800000000, -0.0000509900000000, 0.0000999000000000 ] - [ 0.0004662000000000, -0.0001297800000000, -0.0001596600000000 ] - [ 0.0003105400000000, -0.0001495600000000, -0.0003779300000000 ] - [ 0.0000805200000000, -0.0001240500000000, -0.0003176100000000 ] - [ -0.0001476900000000, -0.0000077100000000, -0.0003176100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002321500000000 ] - [ -0.0000257500000000, 0.0003437100000000, -0.0003779300000000 ] - [ -0.0002847900000000, -0.0001941600000000, -0.0003779300000000 ] - [ 0.0000671700000000, 0.0001317600000000, -0.0003176100000000 ] - [ 0.0008114700000000, -0.0053881800000000, 0.0040834200000000 ] - [ 0.0042605700000000, 0.0033968500000000, 0.0040834200000000 ] - [ -0.0005573800000000, 0.0004872400000000, -0.0120330500000000 ] - [ -0.0050720400000000, 0.0019913400000000, 0.0040834200000000 ] - [ 0.0007006500000000, 0.0002390900000000, -0.0120330500000000 ] - [ -0.0001432700000000, -0.0007263200000000, -0.0120330500000000 ] - [ -0.0008934400000000, -0.0002620700000000, -0.0002731500000000 ] - [ 0.0006736800000000, -0.0006427100000000, -0.0002731500000000 ] - [ 0.0003673700000000, 0.0005275900000000, 0.0009596500000000 ] - [ 0.0002197700000000, 0.0009047800000000, -0.0002731500000000 ] - [ 0.0002732200000000, -0.0005819500000000, 0.0009596500000000 ] - [ -0.0006405900000000, 0.0000543500000000, 0.0009596500000000 ] - [ -0.0005116800000000, 0.0001501200000000, 0.0007571500000000 ] - [ 0.0001258300000000, -0.0005181900000000, 0.0007571500000000 ] - [ -0.0000891200000000, 0.0009459400000000, 0.0005017500000000 ] - [ 0.0003858500000000, 0.0003680600000000, 0.0007571500000000 ] - [ 0.0008637700000000, -0.0003957900000000, 0.0005017500000000 ] - [ -0.0007746500000000, -0.0005501500000000, 0.0005017500000000 ] - [ 0.0001452800000000, -0.0000460200000000, -0.0002653300000000 ] - [ -0.0001141300000000, -0.0001258200000000, -0.0001718000000000 ] - [ 0.0000166500000000, 0.0001797400000000, -0.0002351400000000 ] - [ -0.0010330100000000, 0.0001531600000000, -0.0002604500000000 ] - [ -0.0000044500000000, -0.0003105600000000, -0.0001388100000000 ] - [ 0.0005763200000000, -0.0010951600000000, 0.0001223400000000 ] - [ -0.0001639800000000, -0.0000754500000000, -0.0002351400000000 ] - [ -0.0010427000000000, 0.0003458600000000, -0.0014805300000000 ] - [ 0.0006491500000000, 0.0008180300000000, -0.0002604500000000 ] - [ -0.0000079500000000, 0.0002106900000000, -0.0011063000000000 ] - [ 0.0008081200000000, -0.0001935400000000, -0.0011920100000000 ] - [ -0.0001784900000000, -0.0001122300000000, -0.0011063000000000 ] - [ 0.0002711800000000, 0.0001514300000000, -0.0001388100000000 ] - [ 0.0008208700000000, 0.0007300800000000, -0.0014805300000000 ] - [ 0.0027008100000000, -0.0113077900000000, -0.0050717200000000 ] - [ 0.0002218300000000, -0.0010759400000000, -0.0014805300000000 ] - [ 0.0084424300000000, 0.0079928600000000, -0.0050717200000000 ] - [ -0.0000519000000000, 0.0001617500000000, -0.0001718000000000 ] - [ -0.0005716700000000, -0.0006030800000000, -0.0011920100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0378378500000000 ] - [ 0.0001864300000000, -0.0000984600000000, -0.0011063000000000 ] - [ -0.0002364400000000, 0.0007966200000000, -0.0011920100000000 ] - [ 0.0006602700000000, 0.0010466800000000, 0.0001223400000000 ] - [ -0.0111432400000000, 0.0033149300000000, -0.0050717200000000 ] - [ -0.0001124900000000, -0.0001028100000000, -0.0002653300000000 ] - [ 0.0003838600000000, -0.0009711900000000, -0.0002604500000000 ] - [ 0.0001660300000000, -0.0000359300000000, -0.0001718000000000 ] - [ -0.0012365900000000, 0.0000484700000000, 0.0001223400000000 ] - [ -0.0000327900000000, 0.0001488300000000, -0.0002653300000000 ] - [ -0.0002667300000000, 0.0001591400000000, -0.0001388100000000 ] - [ 0.0001473300000000, -0.0001042900000000, -0.0002351400000000 ] - [ 0.0001320000000000, 0.0000831200000000, -0.0003653200000000 ] - [ 0.0000017600000000, -0.0000575800000000, 0.0001783800000000 ] - [ 0.0000117400000000, -0.0028137000000000, 0.0016622000000000 ] - [ -0.0012089100000000, -0.0002983500000000, 0.0006776900000000 ] - [ -0.0000044000000000, -0.0007874300000000, -0.0002483000000000 ] - [ 0.0000052100000000, -0.0003126800000000, -0.0002271700000000 ] - [ 0.0024308600000000, 0.0014170200000000, 0.0016622000000000 ] - [ -0.0000504600000000, 0.0000563600000000, -0.0000011500000000 ] - [ 0.0003460800000000, 0.0011961200000000, 0.0006776900000000 ] - [ 0.0000179600000000, 0.0001451800000000, 0.0004664900000000 ] - [ 0.0002484700000000, -0.0000344700000000, -0.0005805100000000 ] - [ -0.0001347000000000, -0.0000570400000000, 0.0004664900000000 ] - [ 0.0006841300000000, 0.0003899000000000, -0.0002483000000000 ] - [ 0.0000740400000000, 0.0000155200000000, -0.0000011500000000 ] - [ -0.0001669500000000, 0.0002053200000000, -0.0005109000000000 ] - [ -0.0000235800000000, -0.0000718700000000, -0.0000011500000000 ] - [ -0.0000943400000000, -0.0002472400000000, -0.0005109000000000 ] - [ -0.0000507500000000, 0.0000272600000000, 0.0001783800000000 ] - [ -0.0001540900000000, -0.0001979500000000, -0.0005805100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001464800000000 ] - [ 0.0001167500000000, -0.0000881400000000, 0.0004664900000000 ] - [ -0.0000943800000000, 0.0002324200000000, -0.0005805100000000 ] - [ 0.0002681800000000, 0.0001608500000000, -0.0002271700000000 ] - [ 0.0002612900000000, 0.0000419200000000, -0.0005109000000000 ] - [ 0.0000059800000000, -0.0001558700000000, -0.0003653200000000 ] - [ 0.0008628300000000, -0.0008977700000000, 0.0006776900000000 ] - [ 0.0000489800000000, 0.0000303100000000, 0.0001783800000000 ] - [ -0.0002733900000000, 0.0001518300000000, -0.0002271700000000 ] - [ -0.0001379800000000, 0.0000727600000000, -0.0003653200000000 ] - [ -0.0006797300000000, 0.0003975300000000, -0.0002483000000000 ] - [ -0.0024426100000000, 0.0013966800000000, 0.0016622000000000 ] - [ 0.0013520500000000, -0.0025475600000000, 0.0015727700000000 ] - [ -0.0011885100000000, 0.0003229400000000, -0.0000369100000000 ] - [ 0.0000453700000000, 0.0000639100000000, -0.0001654300000000 ] - [ -0.0003483600000000, 0.0002666800000000, -0.0002028400000000 ] - [ -0.0000860000000000, 0.0000862400000000, 0.0001761600000000 ] - [ 0.0006490400000000, -0.0006590400000000, 0.0001618900000000 ] - [ -0.0000780300000000, 0.0000073300000000, -0.0001654300000000 ] - [ -0.0000747400000000, 0.0000805200000000, -0.0001728600000000 ] - [ 0.0004051300000000, 0.0001683500000000, -0.0002028400000000 ] - [ -0.0000377000000000, 0.0002464800000000, 0.0000974300000000 ] - [ 0.0002065300000000, -0.0000333500000000, -0.0000848500000000 ] - [ -0.0001946100000000, -0.0001558900000000, 0.0000974300000000 ] - [ -0.0000316900000000, -0.0001176000000000, 0.0001761600000000 ] - [ 0.0001071000000000, 0.0000244600000000, -0.0001728600000000 ] - [ -0.0001326100000000, 0.0002207200000000, -0.0003508600000000 ] - [ -0.0000323700000000, -0.0001049800000000, -0.0001728600000000 ] - [ -0.0001248400000000, -0.0002252000000000, -0.0003508600000000 ] - [ 0.0008739300000000, 0.0008678100000000, -0.0000369100000000 ] - [ -0.0001321400000000, -0.0001621800000000, -0.0000848500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001865800000000 ] - [ 0.0002323100000000, -0.0000906000000000, 0.0000974300000000 ] - [ -0.0000743800000000, 0.0001955300000000, -0.0000848500000000 ] - [ 0.0002462300000000, 0.0008916000000000, 0.0001618900000000 ] - [ 0.0002574500000000, 0.0000044800000000, -0.0003508600000000 ] - [ -0.0028822700000000, 0.0001028700000000, 0.0015727700000000 ] - [ -0.0000567700000000, -0.0004350300000000, -0.0002028400000000 ] - [ 0.0003145800000000, -0.0011907500000000, -0.0000369100000000 ] - [ -0.0008952600000000, -0.0002325600000000, 0.0001618900000000 ] - [ 0.0015302300000000, 0.0024446900000000, 0.0015727700000000 ] - [ 0.0001176900000000, 0.0000313600000000, 0.0001761600000000 ] - [ 0.0000326600000000, -0.0000712400000000, -0.0001654300000000 ]