# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9f17098f-913b-4269-b308-e827bb1a7636/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 LiZnAsO4 / R3 (146) / materials id 18048](https://mdr.nims.go.jp/datasets/1f514baf-101a-4590-b301-109eecd2cf42) ## 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: - [ 7.035284550000006, 4.061823416666662, 3.123812869999997 ] # a - [ -7.035284539999992, 4.061823426666662, 3.123812869999997 ] # b - [ -0.000000009999993, -8.123646843333336, 3.123812869999997 ] # c points: - symbol: Li # 1 coordinates: [ 0.667212500000000, 0.066685310000002, 0.839504660000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.145959510000000, 0.381509540000001, 0.550283950000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.550283950000000, 0.145959520000001, 0.381509530000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.381509530000000, 0.550283960000001, 0.145959510000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.839504660000000, 0.667212500000002, 0.066685310000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.066685310000000, 0.839504660000002, 0.667212500000000 ] mass: 6.941000 - symbol: O # 7 coordinates: [ 0.583461440000000, 0.905661770000002, 0.592025090000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.592025090000000, 0.583461440000002, 0.905661770000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.905661770000000, 0.592025090000002, 0.583461440000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.961683310000000, 0.914751790000002, 0.249458620000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.249458620000000, 0.961683320000002, 0.914751780000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.914751780000000, 0.249458630000002, 0.961683310000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.297060270000000, 0.306563730000001, 0.976243170000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.306563710000000, 0.976243190000001, 0.297060270000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.690669000000000, 0.013258170000001, 0.364877760000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.976243170000000, 0.297060290000002, 0.306563710000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.013258150000000, 0.364877780000001, 0.690669000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.364877760000000, 0.690669020000001, 0.013258150000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.669108780000000, 0.333052250000002, 0.628900630000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.333052270000000, 0.628900610000001, 0.669108780000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.628900630000000, 0.669108760000002, 0.333052270000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.970001990000000, 0.632337250000003, 0.925677270000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.632337260000000, 0.925677260000002, 0.970001990000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.925677270000000, 0.970001980000003, 0.632337260000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.870720110000000, 0.521095640000002, 0.188250050000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.521095620000000, 0.188250070000001, 0.870720110000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.188250050000000, 0.870720130000001, 0.521095620000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.549571650000000, 0.256731440000001, 0.214973440000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.256731430000000, 0.214973450000001, 0.549571650000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.214973440000000, 0.549571660000001, 0.256731430000000 ] mass: 15.999400 - symbol: Zn # 31 coordinates: [ 0.334838070000000, 0.740880630000001, 0.504729360000000 ] mass: 65.380000 - symbol: Zn # 32 coordinates: [ 0.504729360000000, 0.334838070000002, 0.740880630000000 ] mass: 65.380000 - symbol: Zn # 33 coordinates: [ 0.740880630000000, 0.504729360000002, 0.334838070000000 ] mass: 65.380000 - symbol: Zn # 34 coordinates: [ 0.816575910000000, 0.046701900000001, 0.219027120000000 ] mass: 65.380000 - symbol: Zn # 35 coordinates: [ 0.219027120000000, 0.816575900000001, 0.046701910000000 ] mass: 65.380000 - symbol: Zn # 36 coordinates: [ 0.046701910000000, 0.219027110000001, 0.816575910000000 ] mass: 65.380000 - symbol: As # 37 coordinates: [ 0.709536380000000, 0.887913110000002, 0.478455920000000 ] mass: 74.921600 - symbol: As # 38 coordinates: [ 0.478455920000000, 0.709536380000002, 0.887913110000000 ] mass: 74.921600 - symbol: As # 39 coordinates: [ 0.887913110000000, 0.478455920000002, 0.709536380000000 ] mass: 74.921600 - symbol: As # 40 coordinates: [ 0.994779450000000, 0.405274090000002, 0.175298030000000 ] mass: 74.921600 - symbol: As # 41 coordinates: [ 0.175298030000000, 0.994779450000002, 0.405274090000000 ] mass: 74.921600 - symbol: As # 42 coordinates: [ 0.405274090000000, 0.175298030000001, 0.994779450000000 ] mass: 74.921600 reciprocal_lattice: # without 2pi - [ 0.071070330845469, 0.041032474583282, 0.106707202769586 ] # a* - [ -0.071070330787145, 0.041032474758253, 0.106707202769587 ] # b* - [ -0.000000000058324, -0.082064949341535, 0.106707202769586 ] # c*unit_cell: lattice: - [ 14.070569089999999, -0.000000010000000, 0.000000000000000 ] # a - [ -7.035284530000000, 12.185470270000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.371438610000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.142745010000000, 0.684962830000000, 0.524467490000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.786708510000000, 0.808967050000000, 0.359251000000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.191032950000000, 0.977741470000000, 0.359251000000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.022258530000000, 0.213291490000000, 0.359251000000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.315037170000000, 0.457782180000000, 0.524467490000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.542217820000000, 0.857254990000000, 0.524467490000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.809411670000000, 0.018296160000000, 0.857800830000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 8 coordinates: [ 0.453375170000000, 0.142300380000000, 0.692584340000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 9 coordinates: [ 0.857699620000000, 0.311074800000000, 0.692584340000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 10 coordinates: [ 0.688925200000000, 0.546624830000000, 0.692584340000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 11 coordinates: [ 0.981703840000000, 0.791115510000000, 0.857800830000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 12 coordinates: [ 0.208884490000000, 0.190588330000000, 0.857800830000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 13 coordinates: [ 0.476078340000000, 0.351629490000000, 0.191134160000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 14 coordinates: [ 0.120041840000000, 0.475633710000000, 0.025917670000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 15 coordinates: [ 0.524366290000000, 0.644408140000000, 0.025917670000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 16 coordinates: [ 0.355591860000000, 0.879958160000000, 0.025917670000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 17 coordinates: [ 0.648370510000000, 0.124448850000000, 0.191134160000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 18 coordinates: [ 0.875551150000000, 0.523921660000000, 0.191134160000000 ] mass: 6.941000 reduced_to: 6 - symbol: O # 19 coordinates: [ 0.889745340000000, 0.101691010000000, 0.693716100000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.898308990000000, 0.788054330000000, 0.693716100000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.211945670000000, 0.110254660000000, 0.693716100000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.253052070000000, 0.459172620000000, 0.708631240000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.540827380000000, 0.793879460000000, 0.708631240000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.206120540000000, 0.746947930000000, 0.708631240000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.770437880000000, 0.550379220000000, 0.526622390000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.779941320000000, 0.229562120000000, 0.526622390000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.334400690000000, 0.991390550000000, 0.356268310000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.449620780000000, 0.220058680000000, 0.526622390000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.656989840000000, 0.665599310000000, 0.356268310000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.008609450000000, 0.343010160000000, 0.356268310000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.125421560000000, 0.914786590000000, 0.543687220000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.789365050000000, 0.874578440000000, 0.543687220000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.085213410000000, 0.210634950000000, 0.543687220000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.127329820000000, 0.916994900000000, 0.842672170000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.789665090000000, 0.872670180000000, 0.842672170000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.083005100000000, 0.210334910000000, 0.842672170000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.344031510000000, 0.338438550000000, 0.526688600000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.994407020000000, 0.655968490000000, 0.526688600000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.661561450000000, 0.005592980000000, 0.526688600000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.209146140000000, 0.125452070000000, 0.340425510000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.916305920000000, 0.790853860000000, 0.340425510000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.874547930000000, 0.083694080000000, 0.340425510000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.556412000000000, 0.435024350000000, 0.027049430000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 44 coordinates: [ 0.564975650000000, 0.121387670000000, 0.027049430000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 45 coordinates: [ 0.878612330000000, 0.443588000000000, 0.027049430000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 46 coordinates: [ 0.919718740000000, 0.792505960000000, 0.041964580000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 47 coordinates: [ 0.207494040000000, 0.127212790000000, 0.041964580000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 48 coordinates: [ 0.872787210000000, 0.080281260000000, 0.041964580000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 49 coordinates: [ 0.437104550000000, 0.883712550000000, 0.859955720000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 50 coordinates: [ 0.446607980000000, 0.562895450000000, 0.859955720000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 51 coordinates: [ 0.001067360000000, 0.324723880000000, 0.689601640000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 52 coordinates: [ 0.116287450000000, 0.553392020000000, 0.859955720000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 53 coordinates: [ 0.323656500000000, 0.998932640000000, 0.689601640000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 54 coordinates: [ 0.675276120000000, 0.676343500000000, 0.689601640000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 55 coordinates: [ 0.792088220000000, 0.248119920000000, 0.877020550000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 56 coordinates: [ 0.456031720000000, 0.207911780000000, 0.877020550000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 57 coordinates: [ 0.751880080000000, 0.543968280000000, 0.877020550000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 58 coordinates: [ 0.793996490000000, 0.250328240000000, 0.176005500000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 59 coordinates: [ 0.456331760000000, 0.206003510000000, 0.176005500000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 60 coordinates: [ 0.749671760000000, 0.543668240000000, 0.176005500000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 61 coordinates: [ 0.010698180000000, 0.671771880000000, 0.860021940000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 62 coordinates: [ 0.661073680000000, 0.989301820000000, 0.860021940000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 63 coordinates: [ 0.328228120000000, 0.338926320000000, 0.860021940000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 64 coordinates: [ 0.875812810000000, 0.458785400000000, 0.673758840000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 65 coordinates: [ 0.582972580000000, 0.124187190000000, 0.673758840000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 66 coordinates: [ 0.541214600000000, 0.417027420000000, 0.673758840000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 67 coordinates: [ 0.223078670000000, 0.768357680000000, 0.360382760000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 68 coordinates: [ 0.231642320000000, 0.454721000000000, 0.360382760000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 69 coordinates: [ 0.545279000000000, 0.776921330000000, 0.360382760000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 70 coordinates: [ 0.586385410000000, 0.125839290000000, 0.375297910000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 71 coordinates: [ 0.874160710000000, 0.460546130000000, 0.375297910000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 72 coordinates: [ 0.539453870000000, 0.413614590000000, 0.375297910000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 73 coordinates: [ 0.103771220000000, 0.217045890000000, 0.193289050000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 74 coordinates: [ 0.113274650000000, 0.896228780000000, 0.193289050000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 75 coordinates: [ 0.667734020000000, 0.658057210000000, 0.022934970000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 76 coordinates: [ 0.782954110000000, 0.886725350000000, 0.193289050000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 77 coordinates: [ 0.990323170000000, 0.332265980000000, 0.022934970000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 78 coordinates: [ 0.341942790000000, 0.009676830000000, 0.022934970000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 79 coordinates: [ 0.458754890000000, 0.581453260000000, 0.210353880000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 80 coordinates: [ 0.122698390000000, 0.541245110000000, 0.210353880000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 81 coordinates: [ 0.418546740000000, 0.877301610000000, 0.210353880000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 82 coordinates: [ 0.460663160000000, 0.583661570000000, 0.509338840000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 83 coordinates: [ 0.122998420000000, 0.539336840000000, 0.509338840000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 84 coordinates: [ 0.416338430000000, 0.877001580000000, 0.509338840000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 85 coordinates: [ 0.677364850000000, 0.005105220000000, 0.193355270000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 86 coordinates: [ 0.327740350000000, 0.322635150000000, 0.193355270000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 87 coordinates: [ 0.994894780000000, 0.672259650000000, 0.193355270000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 88 coordinates: [ 0.542479480000000, 0.792118740000000, 0.007092180000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 89 coordinates: [ 0.249639250000000, 0.457520520000000, 0.007092180000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 90 coordinates: [ 0.207881260000000, 0.750360750000000, 0.007092180000000 ] mass: 15.999400 reduced_to: 42 - symbol: Zn # 91 coordinates: [ 0.808022050000000, 0.022086660000000, 0.526816020000000 ] mass: 65.380000 reduced_to: 91 - symbol: Zn # 92 coordinates: [ 0.977913340000000, 0.785935390000000, 0.526816020000000 ] mass: 65.380000 reduced_to: 92 - symbol: Zn # 93 coordinates: [ 0.214064610000000, 0.191977950000000, 0.526816020000000 ] mass: 65.380000 reduced_to: 93 - symbol: Zn # 94 coordinates: [ 0.455807600000000, 0.141741190000000, 0.360768310000000 ] mass: 65.380000 reduced_to: 94 - symbol: Zn # 95 coordinates: [ 0.858258810000000, 0.314066400000000, 0.360768310000000 ] mass: 65.380000 reduced_to: 95 - symbol: Zn # 96 coordinates: [ 0.685933600000000, 0.544192400000000, 0.360768310000000 ] mass: 65.380000 reduced_to: 96 - symbol: Zn # 97 coordinates: [ 0.474688720000000, 0.355419990000000, 0.860149360000000 ] mass: 65.380000 reduced_to: 91 - symbol: Zn # 98 coordinates: [ 0.644580010000000, 0.119268730000000, 0.860149360000000 ] mass: 65.380000 reduced_to: 92 - symbol: Zn # 99 coordinates: [ 0.880731270000000, 0.525311280000000, 0.860149360000000 ] mass: 65.380000 reduced_to: 93 - symbol: Zn # 100 coordinates: [ 0.122474270000000, 0.475074530000000, 0.694101640000000 ] mass: 65.380000 reduced_to: 94 - symbol: Zn # 101 coordinates: [ 0.524925470000000, 0.647399730000000, 0.694101640000000 ] mass: 65.380000 reduced_to: 95 - symbol: Zn # 102 coordinates: [ 0.352600270000000, 0.877525730000000, 0.694101640000000 ] mass: 65.380000 reduced_to: 96 - symbol: Zn # 103 coordinates: [ 0.141355390000000, 0.688753330000000, 0.193482690000000 ] mass: 65.380000 reduced_to: 91 - symbol: Zn # 104 coordinates: [ 0.311246670000000, 0.452602060000000, 0.193482690000000 ] mass: 65.380000 reduced_to: 92 - symbol: Zn # 105 coordinates: [ 0.547397940000000, 0.858644610000000, 0.193482690000000 ] mass: 65.380000 reduced_to: 93 - symbol: Zn # 106 coordinates: [ 0.789140940000000, 0.808407860000000, 0.027434980000000 ] mass: 65.380000 reduced_to: 94 - symbol: Zn # 107 coordinates: [ 0.191592140000000, 0.980733070000000, 0.027434980000000 ] mass: 65.380000 reduced_to: 95 - symbol: Zn # 108 coordinates: [ 0.019266930000000, 0.210859060000000, 0.027434980000000 ] mass: 65.380000 reduced_to: 96 - symbol: As # 109 coordinates: [ 0.017567910000000, 0.213512550000000, 0.691968470000000 ] mass: 74.921600 reduced_to: 109 - symbol: As # 110 coordinates: [ 0.786487450000000, 0.804055360000000, 0.691968470000000 ] mass: 74.921600 reduced_to: 110 - symbol: As # 111 coordinates: [ 0.195944640000000, 0.982432090000000, 0.691968470000000 ] mass: 74.921600 reduced_to: 111 - symbol: As # 112 coordinates: [ 0.469662260000000, 0.349819160000000, 0.525117190000000 ] mass: 74.921600 reduced_to: 112 - symbol: As # 113 coordinates: [ 0.650180840000000, 0.119843100000000, 0.525117190000000 ] mass: 74.921600 reduced_to: 113 - symbol: As # 114 coordinates: [ 0.880156900000000, 0.530337740000000, 0.525117190000000 ] mass: 74.921600 reduced_to: 114 - symbol: As # 115 coordinates: [ 0.684234570000000, 0.546845890000000, 0.025301810000000 ] mass: 74.921600 reduced_to: 109 - symbol: As # 116 coordinates: [ 0.453154110000000, 0.137388700000000, 0.025301810000000 ] mass: 74.921600 reduced_to: 110 - symbol: As # 117 coordinates: [ 0.862611300000000, 0.315765430000000, 0.025301810000000 ] mass: 74.921600 reduced_to: 111 - symbol: As # 118 coordinates: [ 0.136328930000000, 0.683152490000000, 0.858450520000000 ] mass: 74.921600 reduced_to: 112 - symbol: As # 119 coordinates: [ 0.316847510000000, 0.453176440000000, 0.858450520000000 ] mass: 74.921600 reduced_to: 113 - symbol: As # 120 coordinates: [ 0.546823560000000, 0.863671070000000, 0.858450520000000 ] mass: 74.921600 reduced_to: 114 - symbol: As # 121 coordinates: [ 0.350901240000000, 0.880179220000000, 0.358635140000000 ] mass: 74.921600 reduced_to: 109 - symbol: As # 122 coordinates: [ 0.119820780000000, 0.470722030000000, 0.358635140000000 ] mass: 74.921600 reduced_to: 110 - symbol: As # 123 coordinates: [ 0.529277970000000, 0.649098760000000, 0.358635140000000 ] mass: 74.921600 reduced_to: 111 - symbol: As # 124 coordinates: [ 0.802995590000000, 0.016485820000000, 0.191783850000000 ] mass: 74.921600 reduced_to: 112 - symbol: As # 125 coordinates: [ 0.983514180000000, 0.786509770000000, 0.191783850000000 ] mass: 74.921600 reduced_to: 113 - symbol: As # 126 coordinates: [ 0.213490230000000, 0.197004410000000, 0.191783850000000 ] mass: 74.921600 reduced_to: 114supercell: lattice: - [ 14.070569089999999, -0.000000010000000, 0.000000000000000 ] # a - [ -7.035284530000000, 12.185470270000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.371438610000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.142745010000000, 0.684962830000000, 0.524467490000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.786708510000000, 0.808967050000000, 0.359251000000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.191032950000000, 0.977741470000000, 0.359251000000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.022258530000000, 0.213291490000000, 0.359251000000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.315037170000000, 0.457782180000000, 0.524467490000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.542217820000000, 0.857254990000000, 0.524467490000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.809411670000000, 0.018296160000000, 0.857800830000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 8 coordinates: [ 0.453375170000000, 0.142300380000000, 0.692584340000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 9 coordinates: [ 0.857699620000000, 0.311074800000000, 0.692584340000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 10 coordinates: [ 0.688925200000000, 0.546624830000000, 0.692584340000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 11 coordinates: [ 0.981703840000000, 0.791115510000000, 0.857800830000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 12 coordinates: [ 0.208884490000000, 0.190588330000000, 0.857800830000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 13 coordinates: [ 0.476078340000000, 0.351629490000000, 0.191134160000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 14 coordinates: [ 0.120041840000000, 0.475633710000000, 0.025917670000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 15 coordinates: [ 0.524366290000000, 0.644408140000000, 0.025917670000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 16 coordinates: [ 0.355591860000000, 0.879958160000000, 0.025917670000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 17 coordinates: [ 0.648370510000000, 0.124448850000000, 0.191134160000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 18 coordinates: [ 0.875551150000000, 0.523921660000000, 0.191134160000000 ] mass: 6.941000 reduced_to: 6 - symbol: O # 19 coordinates: [ 0.889745340000000, 0.101691010000000, 0.693716100000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.898308990000000, 0.788054330000000, 0.693716100000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.211945670000000, 0.110254660000000, 0.693716100000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.253052070000000, 0.459172620000000, 0.708631240000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.540827380000000, 0.793879460000000, 0.708631240000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.206120540000000, 0.746947930000000, 0.708631240000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.770437880000000, 0.550379220000000, 0.526622390000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.779941320000000, 0.229562120000000, 0.526622390000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.334400690000000, 0.991390550000000, 0.356268310000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.449620780000000, 0.220058680000000, 0.526622390000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.656989840000000, 0.665599310000000, 0.356268310000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.008609450000000, 0.343010160000000, 0.356268310000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.125421560000000, 0.914786590000000, 0.543687220000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.789365050000000, 0.874578440000000, 0.543687220000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.085213410000000, 0.210634950000000, 0.543687220000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.127329820000000, 0.916994900000000, 0.842672170000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.789665090000000, 0.872670180000000, 0.842672170000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.083005100000000, 0.210334910000000, 0.842672170000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.344031510000000, 0.338438550000000, 0.526688600000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.994407020000000, 0.655968490000000, 0.526688600000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.661561450000000, 0.005592980000000, 0.526688600000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.209146140000000, 0.125452070000000, 0.340425510000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.916305920000000, 0.790853860000000, 0.340425510000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.874547930000000, 0.083694080000000, 0.340425510000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.556412000000000, 0.435024350000000, 0.027049430000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 44 coordinates: [ 0.564975650000000, 0.121387670000000, 0.027049430000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 45 coordinates: [ 0.878612330000000, 0.443588000000000, 0.027049430000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 46 coordinates: [ 0.919718740000000, 0.792505960000000, 0.041964580000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 47 coordinates: [ 0.207494040000000, 0.127212790000000, 0.041964580000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 48 coordinates: [ 0.872787210000000, 0.080281260000000, 0.041964580000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 49 coordinates: [ 0.437104550000000, 0.883712550000000, 0.859955720000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 50 coordinates: [ 0.446607980000000, 0.562895450000000, 0.859955720000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 51 coordinates: [ 0.001067360000000, 0.324723880000000, 0.689601640000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 52 coordinates: [ 0.116287450000000, 0.553392020000000, 0.859955720000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 53 coordinates: [ 0.323656500000000, 0.998932640000000, 0.689601640000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 54 coordinates: [ 0.675276120000000, 0.676343500000000, 0.689601640000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 55 coordinates: [ 0.792088220000000, 0.248119920000000, 0.877020550000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 56 coordinates: [ 0.456031720000000, 0.207911780000000, 0.877020550000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 57 coordinates: [ 0.751880080000000, 0.543968280000000, 0.877020550000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 58 coordinates: [ 0.793996490000000, 0.250328240000000, 0.176005500000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 59 coordinates: [ 0.456331760000000, 0.206003510000000, 0.176005500000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 60 coordinates: [ 0.749671760000000, 0.543668240000000, 0.176005500000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 61 coordinates: [ 0.010698180000000, 0.671771880000000, 0.860021940000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 62 coordinates: [ 0.661073680000000, 0.989301820000000, 0.860021940000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 63 coordinates: [ 0.328228120000000, 0.338926320000000, 0.860021940000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 64 coordinates: [ 0.875812810000000, 0.458785400000000, 0.673758840000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 65 coordinates: [ 0.582972580000000, 0.124187190000000, 0.673758840000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 66 coordinates: [ 0.541214600000000, 0.417027420000000, 0.673758840000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 67 coordinates: [ 0.223078670000000, 0.768357680000000, 0.360382760000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 68 coordinates: [ 0.231642320000000, 0.454721000000000, 0.360382760000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 69 coordinates: [ 0.545279000000000, 0.776921330000000, 0.360382760000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 70 coordinates: [ 0.586385410000000, 0.125839290000000, 0.375297910000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 71 coordinates: [ 0.874160710000000, 0.460546130000000, 0.375297910000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 72 coordinates: [ 0.539453870000000, 0.413614590000000, 0.375297910000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 73 coordinates: [ 0.103771220000000, 0.217045890000000, 0.193289050000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 74 coordinates: [ 0.113274650000000, 0.896228780000000, 0.193289050000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 75 coordinates: [ 0.667734020000000, 0.658057210000000, 0.022934970000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 76 coordinates: [ 0.782954110000000, 0.886725350000000, 0.193289050000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 77 coordinates: [ 0.990323170000000, 0.332265980000000, 0.022934970000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 78 coordinates: [ 0.341942790000000, 0.009676830000000, 0.022934970000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 79 coordinates: [ 0.458754890000000, 0.581453260000000, 0.210353880000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 80 coordinates: [ 0.122698390000000, 0.541245110000000, 0.210353880000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 81 coordinates: [ 0.418546740000000, 0.877301610000000, 0.210353880000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 82 coordinates: [ 0.460663160000000, 0.583661570000000, 0.509338840000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 83 coordinates: [ 0.122998420000000, 0.539336840000000, 0.509338840000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 84 coordinates: [ 0.416338430000000, 0.877001580000000, 0.509338840000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 85 coordinates: [ 0.677364850000000, 0.005105220000000, 0.193355270000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 86 coordinates: [ 0.327740350000000, 0.322635150000000, 0.193355270000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 87 coordinates: [ 0.994894780000000, 0.672259650000000, 0.193355270000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 88 coordinates: [ 0.542479480000000, 0.792118740000000, 0.007092180000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 89 coordinates: [ 0.249639250000000, 0.457520520000000, 0.007092180000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 90 coordinates: [ 0.207881260000000, 0.750360750000000, 0.007092180000000 ] mass: 15.999400 reduced_to: 42 - symbol: Zn # 91 coordinates: [ 0.808022050000000, 0.022086660000000, 0.526816020000000 ] mass: 65.380000 reduced_to: 91 - symbol: Zn # 92 coordinates: [ 0.977913340000000, 0.785935390000000, 0.526816020000000 ] mass: 65.380000 reduced_to: 92 - symbol: Zn # 93 coordinates: [ 0.214064610000000, 0.191977950000000, 0.526816020000000 ] mass: 65.380000 reduced_to: 93 - symbol: Zn # 94 coordinates: [ 0.455807600000000, 0.141741190000000, 0.360768310000000 ] mass: 65.380000 reduced_to: 94 - symbol: Zn # 95 coordinates: [ 0.858258810000000, 0.314066400000000, 0.360768310000000 ] mass: 65.380000 reduced_to: 95 - symbol: Zn # 96 coordinates: [ 0.685933600000000, 0.544192400000000, 0.360768310000000 ] mass: 65.380000 reduced_to: 96 - symbol: Zn # 97 coordinates: [ 0.474688720000000, 0.355419990000000, 0.860149360000000 ] mass: 65.380000 reduced_to: 91 - symbol: Zn # 98 coordinates: [ 0.644580010000000, 0.119268730000000, 0.860149360000000 ] mass: 65.380000 reduced_to: 92 - symbol: Zn # 99 coordinates: [ 0.880731270000000, 0.525311280000000, 0.860149360000000 ] mass: 65.380000 reduced_to: 93 - symbol: Zn # 100 coordinates: [ 0.122474270000000, 0.475074530000000, 0.694101640000000 ] mass: 65.380000 reduced_to: 94 - symbol: Zn # 101 coordinates: [ 0.524925470000000, 0.647399730000000, 0.694101640000000 ] mass: 65.380000 reduced_to: 95 - symbol: Zn # 102 coordinates: [ 0.352600270000000, 0.877525730000000, 0.694101640000000 ] mass: 65.380000 reduced_to: 96 - symbol: Zn # 103 coordinates: [ 0.141355390000000, 0.688753330000000, 0.193482690000000 ] mass: 65.380000 reduced_to: 91 - symbol: Zn # 104 coordinates: [ 0.311246670000000, 0.452602060000000, 0.193482690000000 ] mass: 65.380000 reduced_to: 92 - symbol: Zn # 105 coordinates: [ 0.547397940000000, 0.858644610000000, 0.193482690000000 ] mass: 65.380000 reduced_to: 93 - symbol: Zn # 106 coordinates: [ 0.789140940000000, 0.808407860000000, 0.027434980000000 ] mass: 65.380000 reduced_to: 94 - symbol: Zn # 107 coordinates: [ 0.191592140000000, 0.980733070000000, 0.027434980000000 ] mass: 65.380000 reduced_to: 95 - symbol: Zn # 108 coordinates: [ 0.019266930000000, 0.210859060000000, 0.027434980000000 ] mass: 65.380000 reduced_to: 96 - symbol: As # 109 coordinates: [ 0.017567910000000, 0.213512550000000, 0.691968470000000 ] mass: 74.921600 reduced_to: 109 - symbol: As # 110 coordinates: [ 0.786487450000000, 0.804055360000000, 0.691968470000000 ] mass: 74.921600 reduced_to: 110 - symbol: As # 111 coordinates: [ 0.195944640000000, 0.982432090000000, 0.691968470000000 ] mass: 74.921600 reduced_to: 111 - symbol: As # 112 coordinates: [ 0.469662260000000, 0.349819160000000, 0.525117190000000 ] mass: 74.921600 reduced_to: 112 - symbol: As # 113 coordinates: [ 0.650180840000000, 0.119843100000000, 0.525117190000000 ] mass: 74.921600 reduced_to: 113 - symbol: As # 114 coordinates: [ 0.880156900000000, 0.530337740000000, 0.525117190000000 ] mass: 74.921600 reduced_to: 114 - symbol: As # 115 coordinates: [ 0.684234570000000, 0.546845890000000, 0.025301810000000 ] mass: 74.921600 reduced_to: 109 - symbol: As # 116 coordinates: [ 0.453154110000000, 0.137388700000000, 0.025301810000000 ] mass: 74.921600 reduced_to: 110 - symbol: As # 117 coordinates: [ 0.862611300000000, 0.315765430000000, 0.025301810000000 ] mass: 74.921600 reduced_to: 111 - symbol: As # 118 coordinates: [ 0.136328930000000, 0.683152490000000, 0.858450520000000 ] mass: 74.921600 reduced_to: 112 - symbol: As # 119 coordinates: [ 0.316847510000000, 0.453176440000000, 0.858450520000000 ] mass: 74.921600 reduced_to: 113 - symbol: As # 120 coordinates: [ 0.546823560000000, 0.863671070000000, 0.858450520000000 ] mass: 74.921600 reduced_to: 114 - symbol: As # 121 coordinates: [ 0.350901240000000, 0.880179220000000, 0.358635140000000 ] mass: 74.921600 reduced_to: 109 - symbol: As # 122 coordinates: [ 0.119820780000000, 0.470722030000000, 0.358635140000000 ] mass: 74.921600 reduced_to: 110 - symbol: As # 123 coordinates: [ 0.529277970000000, 0.649098760000000, 0.358635140000000 ] mass: 74.921600 reduced_to: 111 - symbol: As # 124 coordinates: [ 0.802995590000000, 0.016485820000000, 0.191783850000000 ] mass: 74.921600 reduced_to: 112 - symbol: As # 125 coordinates: [ 0.983514180000000, 0.786509770000000, 0.191783850000000 ] mass: 74.921600 reduced_to: 113 - symbol: As # 126 coordinates: [ 0.213490230000000, 0.197004410000000, 0.191783850000000 ] mass: 74.921600 reduced_to: 114displacements:- atom: 1 displacement: [ 0.0100000000000000, -0.0000000000071070, 0.0000000000000000 ] forces: - [ -0.0453364600000000, -0.0043204600000000, 0.0020227900000000 ] - [ 0.0004113000000000, 0.0000078700000000, -0.0000318600000000 ] - [ -0.0007202400000000, -0.0005791100000000, 0.0002826500000000 ] - [ 0.0002499100000000, -0.0003109000000000, -0.0001184300000000 ] - [ 0.0006359400000000, -0.0003887800000000, 0.0002359000000000 ] - [ 0.0009033400000000, 0.0002869700000000, 0.0002044000000000 ] - [ 0.0001615500000000, -0.0000842900000000, 0.0000093200000000 ] - [ -0.0001605200000000, 0.0002042900000000, 0.0000487200000000 ] - [ -0.0006760400000000, 0.0005377200000000, -0.0000119300000000 ] - [ 0.0008205600000000, 0.0001066300000000, -0.0005081000000000 ] - [ -0.0001289300000000, -0.0002025300000000, -0.0004512300000000 ] - [ 0.0001260800000000, -0.0001679200000000, -0.0000849100000000 ] - [ 0.0001533900000000, 0.0002215200000000, 0.0000085000000000 ] - [ -0.0001715800000000, -0.0002288200000000, -0.0002410400000000 ] - [ 0.0002960400000000, -0.0001630500000000, -0.0000931600000000 ] - [ 0.0000317000000000, 0.0002783400000000, -0.0003004800000000 ] - [ 0.0000965500000000, 0.0001889500000000, -0.0000625700000000 ] - [ 0.0000601400000000, 0.0001517800000000, 0.0007726900000000 ] - [ 0.0000989400000000, 0.0003923300000000, 0.0000725800000000 ] - [ -0.0018823400000000, 0.0006684100000000, 0.0008446700000000 ] - [ 0.0000954600000000, 0.0006822500000000, 0.0003970500000000 ] - [ -0.0007567100000000, 0.0002244800000000, -0.0008489300000000 ] - [ -0.0003761700000000, 0.0000248700000000, -0.0003712500000000 ] - [ 0.0056291500000000, 0.0029020100000000, 0.0033069400000000 ] - [ -0.0042737300000000, -0.0019660100000000, -0.0001715300000000 ] - [ -0.0002196000000000, -0.0007329600000000, 0.0003256100000000 ] - [ 0.0008865800000000, -0.0021576700000000, -0.0000816800000000 ] - [ 0.0001364600000000, -0.0002947000000000, 0.0001876600000000 ] - [ -0.0014574400000000, 0.0001236800000000, -0.0001950100000000 ] - [ 0.0012124900000000, 0.0024025500000000, 0.0007982000000000 ] - [ 0.0007946400000000, 0.0024256000000000, 0.0011000700000000 ] - [ -0.0009002600000000, 0.0003598300000000, -0.0002711800000000 ] - [ -0.0000794400000000, 0.0005361400000000, -0.0000634800000000 ] - [ 0.0004652800000000, 0.0000642700000000, 0.0005080600000000 ] - [ -0.0007407200000000, 0.0004721900000000, 0.0003143600000000 ] - [ 0.0001010800000000, 0.0002247600000000, -0.0000918700000000 ] - [ -0.0004962400000000, 0.0001695000000000, -0.0001206700000000 ] - [ 0.0231065600000000, 0.0024895000000000, -0.0003038600000000 ] - [ -0.0004228700000000, -0.0005398700000000, -0.0001677300000000 ] - [ -0.0000387900000000, 0.0003004600000000, -0.0001172800000000 ] - [ -0.0004886000000000, 0.0007395500000000, -0.0017081500000000 ] - [ -0.0001007600000000, 0.0001391500000000, 0.0000287700000000 ] - [ -0.0004558900000000, -0.0003632100000000, -0.0000300600000000 ] - [ -0.0000157500000000, -0.0001642600000000, 0.0000778400000000 ] - [ 0.0004644000000000, -0.0004236100000000, 0.0001716300000000 ] - [ -0.0002320300000000, -0.0000303200000000, -0.0005840500000000 ] - [ 0.0001765300000000, 0.0003479800000000, -0.0000758500000000 ] - [ -0.0002284400000000, 0.0002621300000000, -0.0001490200000000 ] - [ -0.0004203200000000, -0.0003478800000000, 0.0000109100000000 ] - [ -0.0006042600000000, -0.0000369400000000, 0.0002020200000000 ] - [ 0.0003334100000000, 0.0007223600000000, -0.0003935800000000 ] - [ 0.0010918600000000, 0.0004824900000000, -0.0004250500000000 ] - [ 0.0012475400000000, -0.0002956900000000, -0.0000096800000000 ] - [ -0.0008562800000000, 0.0000531100000000, -0.0000809600000000 ] - [ 0.0002905500000000, -0.0005823800000000, 0.0000529600000000 ] - [ -0.0002723300000000, -0.0002007600000000, 0.0001046700000000 ] - [ -0.0002853600000000, 0.0002312400000000, 0.0003741000000000 ] - [ 0.0001930700000000, -0.0005163900000000, -0.0001408900000000 ] - [ -0.0001316600000000, -0.0000960900000000, 0.0001598100000000 ] - [ -0.0003076800000000, -0.0000259700000000, -0.0004322200000000 ] - [ 0.0024796000000000, 0.0009450900000000, 0.0008397600000000 ] - [ -0.0001599600000000, -0.0003399600000000, -0.0001342400000000 ] - [ -0.0006026200000000, 0.0001866200000000, -0.0001782000000000 ] - [ 0.0002352500000000, -0.0031625400000000, 0.0023032100000000 ] - [ -0.0000516100000000, -0.0003019400000000, -0.0000065100000000 ] - [ -0.0004686300000000, -0.0004004300000000, 0.0001373000000000 ] - [ 0.0051202000000000, 0.0026972300000000, -0.0031224800000000 ] - [ -0.0008506000000000, 0.0007852800000000, 0.0008063900000000 ] - [ -0.0007944900000000, 0.0002199700000000, 0.0001749500000000 ] - [ -0.0003432100000000, -0.0006430900000000, -0.0002550600000000 ] - [ 0.0009637800000000, -0.0037282000000000, -0.0021643700000000 ] - [ -0.0008131500000000, -0.0003491900000000, -0.0001075700000000 ] - [ -0.0001050500000000, 0.0000791800000000, 0.0003350000000000 ] - [ 0.0007315500000000, 0.0007099800000000, -0.0000617100000000 ] - [ -0.0003760100000000, -0.0000880100000000, -0.0000764600000000 ] - [ -0.0002983100000000, 0.0004306800000000, 0.0003061200000000 ] - [ 0.0003196800000000, 0.0001618900000000, -0.0000382100000000 ] - [ 0.0003388200000000, 0.0000003200000000, 0.0000207300000000 ] - [ -0.0003821500000000, -0.0003210800000000, -0.0000121400000000 ] - [ 0.0004041500000000, 0.0004235300000000, 0.0013549300000000 ] - [ -0.0005629900000000, -0.0001206700000000, 0.0007270700000000 ] - [ -0.0008610300000000, -0.0002078800000000, 0.0000873600000000 ] - [ 0.0061502500000000, -0.0062212800000000, 0.0000425300000000 ] - [ -0.0005054000000000, -0.0020827200000000, 0.0004858000000000 ] - [ -0.0004943900000000, -0.0000480800000000, -0.0001174400000000 ] - [ -0.0000816500000000, 0.0003257200000000, -0.0001235400000000 ] - [ 0.0007981000000000, 0.0002956800000000, -0.0013812500000000 ] - [ -0.0004106300000000, 0.0000636000000000, 0.0000540600000000 ] - [ -0.0001827200000000, 0.0001571400000000, 0.0000559200000000 ] - [ 0.0007296200000000, 0.0002688800000000, -0.0006117900000000 ] - [ 0.0001501600000000, -0.0002380400000000, 0.0000383800000000 ] - [ 0.0052711000000000, -0.0053243900000000, 0.0000005600000000 ] - [ 0.0004159700000000, -0.0002985100000000, 0.0002066100000000 ] - [ 0.0000181200000000, 0.0009451400000000, 0.0000800000000000 ] - [ -0.0018265800000000, 0.0012180300000000, 0.0001674500000000 ] - [ 0.0017887600000000, 0.0001230600000000, 0.0011842300000000 ] - [ 0.0002644100000000, 0.0003321100000000, 0.0000033500000000 ] - [ 0.0001048900000000, 0.0002323900000000, 0.0000554200000000 ] - [ 0.0001036800000000, -0.0001430500000000, -0.0018024700000000 ] - [ -0.0005524400000000, -0.0024878300000000, 0.0024800400000000 ] - [ 0.0010214900000000, -0.0001617300000000, 0.0001236300000000 ] - [ 0.0000589200000000, 0.0031776600000000, 0.0023985800000000 ] - [ -0.0038244500000000, -0.0007468100000000, -0.0003235600000000 ] - [ 0.0007256200000000, -0.0004266000000000, -0.0003809100000000 ] - [ 0.0010285900000000, 0.0002943500000000, -0.0001309400000000 ] - [ 0.0003928400000000, -0.0000715600000000, -0.0001349900000000 ] - [ -0.0005226100000000, -0.0004897900000000, -0.0000068200000000 ] - [ 0.0000318000000000, -0.0000918500000000, -0.0000101700000000 ] - [ 0.0004179500000000, -0.0007800500000000, -0.0000458400000000 ] - [ 0.0020687000000000, -0.0001636100000000, -0.0000639700000000 ] - [ -0.0022819000000000, -0.0019148900000000, -0.0024620600000000 ] - [ 0.0005324900000000, 0.0004796600000000, -0.0001194200000000 ] - [ 0.0008353900000000, 0.0009856700000000, 0.0002793300000000 ] - [ 0.0063497800000000, 0.0135818500000000, 0.0004186300000000 ] - [ 0.0012829400000000, 0.0002440500000000, -0.0000831400000000 ] - [ -0.0001422700000000, 0.0004993200000000, -0.0003500000000000 ] - [ -0.0010802200000000, 0.0002333500000000, -0.0000973300000000 ] - [ -0.0054972300000000, -0.0021895700000000, 0.0006640700000000 ] - [ 0.0012370100000000, -0.0004506100000000, 0.0007724700000000 ] - [ 0.0009447000000000, 0.0006457600000000, 0.0003536200000000 ] - [ 0.0015276500000000, 0.0062512100000000, -0.0037533700000000 ] - [ 0.0003420700000000, -0.0047956600000000, -0.0048035500000000 ] - [ 0.0017784000000000, -0.0002977200000000, -0.0002719400000000 ] - [ 0.0003342900000000, -0.0004628500000000, 0.0000867000000000 ] - [ -0.0004274700000000, -0.0013714100000000, 0.0021937700000000 ] - [ 0.0001679200000000, -0.0002771100000000, 0.0001083000000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000071070, 0.0000000000000000 ] forces: - [ 0.0472744800000000, 0.0048834900000000, -0.0016828900000000 ] - [ -0.0006804800000000, 0.0001672700000000, -0.0001920100000000 ] - [ 0.0006286400000000, 0.0002456000000000, -0.0005095800000000 ] - [ 0.0000409000000000, 0.0003725200000000, -0.0001101600000000 ] - [ -0.0005939500000000, 0.0003796400000000, 0.0000549800000000 ] - [ -0.0008300900000000, -0.0001930300000000, 0.0000963900000000 ] - [ -0.0001665000000000, 0.0002099600000000, -0.0000081600000000 ] - [ -0.0000529200000000, -0.0000529200000000, -0.0000075800000000 ] - [ 0.0005754900000000, -0.0008107600000000, 0.0000488100000000 ] - [ -0.0005812600000000, -0.0000904100000000, 0.0005419700000000 ] - [ 0.0000956000000000, 0.0001823100000000, 0.0004518400000000 ] - [ -0.0000100300000000, 0.0001959600000000, 0.0000872000000000 ] - [ -0.0001745600000000, -0.0000897300000000, -0.0000597900000000 ] - [ -0.0000668300000000, 0.0004053400000000, 0.0000617300000000 ] - [ -0.0004055200000000, -0.0001393600000000, -0.0000850500000000 ] - [ 0.0002379500000000, -0.0002517500000000, 0.0001229700000000 ] - [ -0.0001296900000000, -0.0002295300000000, 0.0000061900000000 ] - [ 0.0000701700000000, -0.0001116700000000, -0.0008205000000000 ] - [ -0.0000269900000000, -0.0003834200000000, 0.0000105100000000 ] - [ 0.0018465000000000, -0.0006172600000000, -0.0007732400000000 ] - [ -0.0001227700000000, -0.0007471200000000, -0.0003222700000000 ] - [ 0.0006484000000000, -0.0006676400000000, 0.0005056200000000 ] - [ 0.0008213400000000, 0.0000972100000000, 0.0000212000000000 ] - [ -0.0060265100000000, -0.0025965000000000, -0.0036595000000000 ] - [ 0.0043272800000000, 0.0016601000000000, 0.0007296700000000 ] - [ -0.0000680800000000, 0.0008278400000000, 0.0002418500000000 ] - [ -0.0006375300000000, 0.0018082100000000, -0.0001431400000000 ] - [ 0.0000937200000000, 0.0004889100000000, 0.0003702800000000 ] - [ 0.0010605600000000, -0.0001031300000000, -0.0000304700000000 ] - [ -0.0010282900000000, -0.0020175600000000, -0.0010333600000000 ] - [ -0.0004460200000000, -0.0028777200000000, -0.0011763300000000 ] - [ 0.0003324700000000, -0.0004356100000000, 0.0001992300000000 ] - [ 0.0002837400000000, -0.0000080200000000, -0.0000016400000000 ] - [ -0.0006362700000000, -0.0004627100000000, -0.0005282300000000 ] - [ 0.0004979800000000, -0.0001793700000000, -0.0003395200000000 ] - [ 0.0002634200000000, -0.0001616400000000, 0.0000639900000000 ] - [ 0.0003751100000000, 0.0000528500000000, -0.0001436000000000 ] - [ -0.0245443600000000, -0.0029288900000000, 0.0000590400000000 ] - [ 0.0002991800000000, 0.0002518000000000, -0.0000993800000000 ] - [ -0.0000578900000000, -0.0001776000000000, 0.0001969900000000 ] - [ 0.0006500500000000, -0.0007192800000000, 0.0017947400000000 ] - [ 0.0000676600000000, -0.0002491800000000, 0.0000604700000000 ] - [ 0.0005054900000000, 0.0003796000000000, 0.0000964700000000 ] - [ -0.0000148300000000, 0.0001954100000000, -0.0000232700000000 ] - [ -0.0004756200000000, 0.0003767500000000, -0.0001134400000000 ] - [ 0.0001376300000000, -0.0004179400000000, 0.0002524200000000 ] - [ 0.0002625300000000, -0.0002083700000000, -0.0002610300000000 ] - [ -0.0001163600000000, 0.0000388200000000, -0.0001873400000000 ] - [ 0.0004925900000000, 0.0000620700000000, 0.0005709400000000 ] - [ 0.0003256100000000, 0.0001264300000000, 0.0003896000000000 ] - [ -0.0000823500000000, -0.0010875600000000, 0.0001382600000000 ] - [ -0.0008689600000000, -0.0003077600000000, 0.0010111100000000 ] - [ -0.0016385100000000, 0.0003124700000000, -0.0002455000000000 ] - [ 0.0010408900000000, 0.0003432300000000, -0.0001756700000000 ] - [ 0.0000399100000000, 0.0001162500000000, -0.0001093300000000 ] - [ -0.0003094600000000, 0.0001670700000000, -0.0001662800000000 ] - [ 0.0005230700000000, 0.0002884200000000, -0.0004233500000000 ] - [ -0.0003653100000000, 0.0001137900000000, 0.0001982300000000 ] - [ -0.0001179400000000, 0.0003992700000000, -0.0001063500000000 ] - [ 0.0006745100000000, 0.0000907900000000, 0.0004769300000000 ] - [ -0.0026097700000000, -0.0007148600000000, -0.0010744100000000 ] - [ 0.0004286600000000, 0.0003155200000000, -0.0000964000000000 ] - [ 0.0004648600000000, -0.0004740800000000, -0.0000533400000000 ] - [ -0.0003431000000000, 0.0032868000000000, -0.0022468900000000 ] - [ 0.0002050600000000, 0.0003449600000000, 0.0000740700000000 ] - [ 0.0004573700000000, 0.0002891900000000, -0.0000578800000000 ] - [ -0.0050988200000000, -0.0026555400000000, 0.0032236900000000 ] - [ 0.0008325200000000, -0.0007528700000000, -0.0006841000000000 ] - [ 0.0007821400000000, -0.0002678500000000, -0.0000423500000000 ] - [ 0.0002550300000000, 0.0002013600000000, -0.0000897800000000 ] - [ -0.0005307400000000, 0.0038892600000000, 0.0018251100000000 ] - [ 0.0004716400000000, 0.0006464300000000, -0.0002441000000000 ] - [ 0.0001581500000000, -0.0003649600000000, 0.0002022400000000 ] - [ -0.0010087300000000, -0.0006130900000000, 0.0006089400000000 ] - [ 0.0006243300000000, -0.0002651700000000, -0.0001273500000000 ] - [ 0.0005266900000000, -0.0002565100000000, 0.0002295400000000 ] - [ -0.0007148300000000, -0.0001529800000000, -0.0001623500000000 ] - [ -0.0001607800000000, 0.0003992900000000, -0.0002243200000000 ] - [ 0.0007246400000000, -0.0001280500000000, 0.0000100900000000 ] - [ -0.0009719400000000, -0.0004812300000000, -0.0013666400000000 ] - [ 0.0008083100000000, 0.0006482100000000, -0.0007299500000000 ] - [ 0.0006915800000000, -0.0001781100000000, -0.0000674900000000 ] - [ -0.0064002300000000, 0.0063673300000000, -0.0000457800000000 ] - [ 0.0008641600000000, 0.0021222000000000, -0.0004603000000000 ] - [ 0.0003752400000000, 0.0002839700000000, -0.0001477900000000 ] - [ 0.0003552600000000, -0.0003452800000000, -0.0001435200000000 ] - [ -0.0009411600000000, -0.0005916100000000, 0.0011222400000000 ] - [ 0.0003056300000000, 0.0000475000000000, 0.0000622200000000 ] - [ 0.0003412200000000, -0.0001205800000000, 0.0000580500000000 ] - [ -0.0007534200000000, -0.0003844100000000, 0.0007554400000000 ] - [ -0.0004746200000000, 0.0004638700000000, 0.0000489000000000 ] - [ -0.0053782600000000, 0.0049583300000000, 0.0000858300000000 ] - [ -0.0000582300000000, 0.0004526800000000, -0.0001174500000000 ] - [ -0.0001987800000000, -0.0007932300000000, -0.0000222300000000 ] - [ 0.0017923300000000, -0.0014507900000000, -0.0001111700000000 ] - [ -0.0015569100000000, -0.0000378300000000, -0.0011314800000000 ] - [ -0.0005806500000000, -0.0001540800000000, 0.0000587500000000 ] - [ -0.0001291400000000, -0.0006008700000000, 0.0000074900000000 ] - [ 0.0002121300000000, 0.0003160300000000, 0.0018724200000000 ] - [ 0.0002716100000000, 0.0026550800000000, -0.0024110700000000 ] - [ -0.0010288400000000, -0.0001463800000000, -0.0000515100000000 ] - [ 0.0002029000000000, -0.0030171300000000, -0.0023160300000000 ] - [ 0.0035097100000000, 0.0009364800000000, 0.0004629100000000 ] - [ -0.0007446000000000, 0.0000430100000000, 0.0004984600000000 ] - [ -0.0007111900000000, -0.0001113600000000, 0.0002466400000000 ] - [ -0.0006313700000000, 0.0002309900000000, 0.0001490800000000 ] - [ 0.0005108900000000, 0.0002082600000000, 0.0000191500000000 ] - [ 0.0002322600000000, 0.0002314900000000, 0.0000189100000000 ] - [ -0.0000415200000000, 0.0008124700000000, -0.0001786100000000 ] - [ -0.0022904000000000, 0.0004719100000000, -0.0001591400000000 ] - [ 0.0021177400000000, 0.0015751400000000, 0.0022419000000000 ] - [ -0.0009369800000000, -0.0007670900000000, 0.0003145100000000 ] - [ -0.0004088800000000, -0.0011708600000000, -0.0000752500000000 ] - [ -0.0064863500000000, -0.0131252400000000, -0.0002127500000000 ] - [ -0.0008930800000000, -0.0002185100000000, -0.0001399300000000 ] - [ -0.0000748700000000, -0.0002035400000000, 0.0001284100000000 ] - [ 0.0009198100000000, -0.0005781600000000, -0.0001322600000000 ] - [ 0.0051368000000000, 0.0019676200000000, -0.0004592100000000 ] - [ -0.0008467800000000, 0.0002454100000000, -0.0005090400000000 ] - [ -0.0009668200000000, -0.0001680100000000, -0.0000892400000000 ] - [ -0.0011947300000000, -0.0062251700000000, 0.0035419900000000 ] - [ -0.0005841700000000, 0.0050971600000000, 0.0046570300000000 ] - [ -0.0019486100000000, -0.0000537100000000, 0.0000996300000000 ] - [ -0.0007343500000000, 0.0002147400000000, 0.0001197700000000 ] - [ 0.0008280800000000, 0.0011779300000000, -0.0019898600000000 ] - [ -0.0001900600000000, 0.0007525300000000, 0.0001058700000000 ]- atom: 1 displacement: [ -0.0049999999943570, 0.0086602540411024, 0.0000000000000000 ] forces: - [ 0.0188198400000000, -0.0392602800000000, 0.0011188000000000 ] - [ -0.0004851000000000, 0.0000744300000000, -0.0001464700000000 ] - [ -0.0003221000000000, 0.0008958300000000, -0.0008779300000000 ] - [ -0.0002063900000000, 0.0008898800000000, -0.0000637800000000 ] - [ -0.0011621100000000, 0.0003130200000000, -0.0001580500000000 ] - [ 0.0003517800000000, -0.0001687800000000, 0.0001582200000000 ] - [ 0.0000496200000000, 0.0003005600000000, -0.0000599300000000 ] - [ 0.0001211600000000, 0.0004736200000000, 0.0000253600000000 ] - [ 0.0005229000000000, -0.0000368400000000, -0.0001199100000000 ] - [ -0.0000495800000000, -0.0000892800000000, 0.0001601000000000 ] - [ -0.0002722200000000, -0.0001663100000000, 0.0002751000000000 ] - [ -0.0002235900000000, 0.0004507500000000, 0.0001883800000000 ] - [ -0.0002189300000000, 0.0001536800000000, -0.0000343400000000 ] - [ -0.0001409900000000, 0.0003276700000000, 0.0004453200000000 ] - [ -0.0002161500000000, -0.0003900600000000, -0.0000808600000000 ] - [ 0.0001939700000000, 0.0000240500000000, -0.0002559700000000 ] - [ 0.0001976500000000, 0.0001815500000000, -0.0000387100000000 ] - [ 0.0003257600000000, -0.0003879700000000, -0.0000313900000000 ] - [ -0.0001592100000000, -0.0008692300000000, -0.0000385900000000 ] - [ 0.0010726800000000, 0.0000740100000000, -0.0002985600000000 ] - [ 0.0004650900000000, -0.0016472700000000, -0.0003087000000000 ] - [ 0.0014818700000000, -0.0006231300000000, 0.0011579900000000 ] - [ 0.0001074700000000, 0.0003975700000000, -0.0000211300000000 ] - [ -0.0004519100000000, 0.0060355700000000, 0.0030473700000000 ] - [ 0.0013574800000000, 0.0008820700000000, 0.0004728500000000 ] - [ -0.0007656000000000, -0.0004750000000000, 0.0003897200000000 ] - [ -0.0003506700000000, -0.0010211900000000, 0.0002363900000000 ] - [ 0.0002841900000000, -0.0003961300000000, 0.0002667900000000 ] - [ 0.0003666500000000, 0.0001801700000000, -0.0000726400000000 ] - [ -0.0010754700000000, -0.0036210800000000, -0.0020847800000000 ] - [ 0.0015436600000000, -0.0031234000000000, -0.0014559900000000 ] - [ 0.0000656600000000, -0.0002992700000000, 0.0000786900000000 ] - [ 0.0007735200000000, -0.0003927100000000, -0.0000283100000000 ] - [ 0.0000057900000000, -0.0005394100000000, -0.0010484400000000 ] - [ 0.0001674000000000, -0.0000142400000000, -0.0001176200000000 ] - [ 0.0005942100000000, -0.0004256300000000, 0.0002390500000000 ] - [ 0.0005288200000000, -0.0002706500000000, -0.0000840000000000 ] - [ -0.0100948300000000, 0.0033173100000000, 0.0000270400000000 ] - [ -0.0003574900000000, -0.0003550500000000, -0.0001567000000000 ] - [ 0.0003218800000000, -0.0006422100000000, 0.0003764600000000 ] - [ 0.0005191400000000, 0.0001285000000000, 0.0006474400000000 ] - [ -0.0001482800000000, -0.0005658200000000, -0.0000561200000000 ] - [ 0.0002661400000000, 0.0000968000000000, 0.0000547900000000 ] - [ -0.0003094300000000, -0.0001631100000000, 0.0000883000000000 ] - [ -0.0004046900000000, 0.0002763800000000, -0.0001680800000000 ] - [ 0.0003497100000000, -0.0001255300000000, 0.0000968600000000 ] - [ 0.0005780800000000, -0.0006525700000000, -0.0004608100000000 ] - [ -0.0003103900000000, -0.0002197900000000, -0.0000788500000000 ] - [ -0.0006737500000000, -0.0001129300000000, 0.0000559900000000 ] - [ 0.0005206900000000, 0.0005214500000000, 0.0004240100000000 ] - [ 0.0003052000000000, -0.0022672000000000, 0.0005631700000000 ] - [ -0.0007523400000000, 0.0027463300000000, 0.0014490400000000 ] - [ -0.0006310000000000, -0.0007205400000000, -0.0006825600000000 ] - [ 0.0006001100000000, 0.0004832900000000, -0.0001131600000000 ] - [ -0.0002168400000000, -0.0004548200000000, -0.0001857400000000 ] - [ -0.0002413200000000, -0.0003898600000000, -0.0000043900000000 ] - [ 0.0001928600000000, 0.0004104600000000, -0.0001053100000000 ] - [ -0.0005400200000000, -0.0003775000000000, -0.0002316000000000 ] - [ -0.0000865800000000, -0.0001484500000000, 0.0000883600000000 ] - [ 0.0003083400000000, 0.0001820400000000, 0.0001209900000000 ] - [ -0.0002419400000000, 0.0011934800000000, -0.0007591700000000 ] - [ -0.0000839600000000, -0.0001444500000000, -0.0000855400000000 ] - [ 0.0007686800000000, -0.0007184400000000, 0.0000208500000000 ] - [ -0.0011787600000000, 0.0016543100000000, -0.0005360600000000 ] - [ -0.0003001200000000, -0.0002046300000000, 0.0001016100000000 ] - [ 0.0002503900000000, -0.0000885500000000, -0.0000516500000000 ] - [ 0.0003860600000000, 0.0068844500000000, -0.0048343800000000 ] - [ 0.0035277600000000, -0.0013731800000000, -0.0025025500000000 ] - [ -0.0000811600000000, 0.0004978800000000, -0.0000206200000000 ] - [ -0.0005016900000000, -0.0004730200000000, -0.0003352000000000 ] - [ -0.0013283000000000, 0.0018207500000000, 0.0007719700000000 ] - [ 0.0001102000000000, 0.0001560500000000, -0.0001495100000000 ] - [ 0.0005952800000000, -0.0006802900000000, 0.0001393600000000 ] - [ 0.0001307600000000, -0.0000744000000000, 0.0007825600000000 ] - [ 0.0003369200000000, -0.0000286400000000, -0.0001177000000000 ] - [ 0.0002924700000000, -0.0002305900000000, 0.0002164500000000 ] - [ -0.0006497000000000, -0.0003050700000000, -0.0003169200000000 ] - [ -0.0001130600000000, -0.0002579200000000, -0.0001197100000000 ] - [ 0.0008262500000000, 0.0003690700000000, 0.0000731000000000 ] - [ -0.0007655900000000, 0.0010838900000000, -0.0037485900000000 ] - [ -0.0013878600000000, -0.0002809400000000, 0.0010509200000000 ] - [ 0.0005759300000000, 0.0001890200000000, -0.0000260900000000 ] - [ -0.0087909500000000, 0.0185874600000000, 0.0000629900000000 ] - [ -0.0010300200000000, -0.0000595900000000, -0.0003294700000000 ] - [ -0.0003595000000000, -0.0000946600000000, -0.0001451500000000 ] - [ 0.0006164100000000, -0.0008679500000000, -0.0002258800000000 ] - [ -0.0001398500000000, 0.0005864900000000, 0.0004178100000000 ] - [ -0.0002662600000000, 0.0002777000000000, 0.0000726600000000 ] - [ 0.0005664100000000, -0.0000468600000000, -0.0000522000000000 ] - [ 0.0000031100000000, 0.0008755600000000, -0.0005904600000000 ] - [ -0.0000461000000000, 0.0006340300000000, 0.0001304900000000 ] - [ -0.0050675600000000, -0.0000012400000000, 0.0000353200000000 ] - [ -0.0005891500000000, 0.0010628100000000, -0.0003166900000000 ] - [ 0.0001923800000000, 0.0008580500000000, 0.0000256200000000 ] - [ 0.0020805100000000, 0.0004162100000000, 0.0000797600000000 ] - [ -0.0003421700000000, -0.0000457800000000, -0.0002898900000000 ] - [ -0.0006961100000000, 0.0003047200000000, 0.0000456200000000 ] - [ 0.0003271700000000, 0.0001313500000000, 0.0000288600000000 ] - [ 0.0003688300000000, -0.0006324800000000, 0.0002045300000000 ] - [ -0.0015914900000000, 0.0038999100000000, -0.0064086400000000 ] - [ -0.0005448700000000, -0.0006837000000000, -0.0000035200000000 ] - [ 0.0022198600000000, 0.0006770100000000, 0.0013973000000000 ] - [ 0.0010001900000000, -0.0040943700000000, -0.0003933600000000 ] - [ -0.0015707400000000, -0.0000572800000000, 0.0011707800000000 ] - [ 0.0009159400000000, -0.0001243100000000, 0.0001203100000000 ] - [ -0.0005407500000000, 0.0000750600000000, 0.0000863600000000 ] - [ 0.0000374800000000, 0.0005875200000000, 0.0002579400000000 ] - [ 0.0000897400000000, 0.0005743400000000, -0.0000239200000000 ] - [ -0.0008125400000000, 0.0020419400000000, -0.0002838800000000 ] - [ -0.0013966700000000, 0.0001659300000000, -0.0001818000000000 ] - [ 0.0000169400000000, 0.0034011700000000, 0.0033987400000000 ] - [ -0.0009350300000000, 0.0002692300000000, 0.0001446600000000 ] - [ 0.0010419000000000, 0.0005962400000000, 0.0002164500000000 ] - [ 0.0028460200000000, -0.0047310000000000, -0.0004143800000000 ] - [ -0.0001550200000000, -0.0002112900000000, -0.0001214900000000 ] - [ 0.0002134100000000, 0.0008085700000000, -0.0001636000000000 ] - [ 0.0008967400000000, -0.0001101700000000, 0.0002787400000000 ] - [ 0.0006309200000000, -0.0053572900000000, 0.0014599000000000 ] - [ -0.0014759400000000, 0.0000447400000000, -0.0009043100000000 ] - [ 0.0007450500000000, 0.0000113200000000, -0.0000683900000000 ] - [ 0.0040817700000000, 0.0034887500000000, -0.0020132700000000 ] - [ -0.0039013700000000, 0.0087678300000000, 0.0120951700000000 ] - [ -0.0010234900000000, -0.0011532000000000, -0.0001383600000000 ] - [ 0.0000284000000000, 0.0005467400000000, 0.0001787500000000 ] - [ -0.0004967000000000, -0.0004316700000000, -0.0010744800000000 ] - [ -0.0008078100000000, 0.0016196700000000, 0.0000981200000000 ]- atom: 1 displacement: [ 0.0049999999943570, -0.0086602540411024, 0.0000000000000000 ] forces: - [ -0.0195147800000000, 0.0411266800000000, -0.0005472900000000 ] - [ 0.0002159700000000, 0.0000991500000000, -0.0000773800000000 ] - [ 0.0002284500000000, -0.0012213800000000, 0.0006399200000000 ] - [ 0.0004963500000000, -0.0008310600000000, -0.0001654300000000 ] - [ 0.0012077300000000, -0.0003196200000000, 0.0004503200000000 ] - [ -0.0002861300000000, 0.0002588700000000, 0.0001424200000000 ] - [ -0.0000559700000000, -0.0001764600000000, 0.0000618600000000 ] - [ -0.0003322300000000, -0.0003206300000000, 0.0000157700000000 ] - [ -0.0006293200000000, -0.0002340300000000, 0.0001565800000000 ] - [ 0.0002912400000000, 0.0001064400000000, -0.0001276400000000 ] - [ 0.0002375400000000, 0.0001405200000000, -0.0002748000000000 ] - [ 0.0003392400000000, -0.0004221100000000, -0.0001844900000000 ] - [ 0.0001997300000000, -0.0000206900000000, -0.0000173000000000 ] - [ -0.0000971200000000, -0.0001538800000000, -0.0006271900000000 ] - [ 0.0001075000000000, 0.0000884600000000, -0.0000970900000000 ] - [ 0.0000771100000000, 0.0000018200000000, 0.0000784600000000 ] - [ -0.0002308600000000, -0.0002225200000000, -0.0000173500000000 ] - [ -0.0001961600000000, 0.0004290100000000, -0.0000110900000000 ] - [ 0.0002333800000000, 0.0008834200000000, 0.0001218200000000 ] - [ -0.0011114500000000, -0.0000174800000000, 0.0003704800000000 ] - [ -0.0004923900000000, 0.0015733300000000, 0.0003779600000000 ] - [ -0.0015999300000000, 0.0001783000000000, -0.0015088000000000 ] - [ 0.0003411200000000, -0.0002769500000000, -0.0003276800000000 ] - [ 0.0001355100000000, -0.0057740900000000, -0.0034073800000000 ] - [ -0.0013124900000000, -0.0011875800000000, 0.0000863700000000 ] - [ 0.0004799600000000, 0.0005671200000000, 0.0001792200000000 ] - [ 0.0005834800000000, 0.0006700900000000, -0.0004593800000000 ] - [ -0.0000570100000000, 0.0005875800000000, 0.0002933600000000 ] - [ -0.0007640000000000, -0.0001593200000000, -0.0001535100000000 ] - [ 0.0012631100000000, 0.0040184100000000, 0.0018528400000000 ] - [ -0.0011650200000000, 0.0026406400000000, 0.0013617000000000 ] - [ -0.0006344800000000, 0.0002265900000000, -0.0001529600000000 ] - [ -0.0005685400000000, 0.0009216000000000, -0.0000393200000000 ] - [ -0.0001757700000000, 0.0001418000000000, 0.0010188200000000 ] - [ -0.0004118500000000, 0.0003085800000000, 0.0000948000000000 ] - [ -0.0002294800000000, 0.0004899600000000, -0.0002685200000000 ] - [ -0.0006559500000000, 0.0004899300000000, -0.0001795600000000 ] - [ 0.0103060800000000, -0.0034397500000000, -0.0002955200000000 ] - [ 0.0002375700000000, 0.0000683200000000, -0.0001098900000000 ] - [ -0.0004175700000000, 0.0007618900000000, -0.0002935900000000 ] - [ -0.0003605900000000, -0.0001013900000000, -0.0005641800000000 ] - [ 0.0001157700000000, 0.0004586700000000, 0.0001473200000000 ] - [ -0.0002199900000000, -0.0000837200000000, 0.0000090200000000 ] - [ 0.0002752900000000, 0.0001943100000000, -0.0000341500000000 ] - [ 0.0003973600000000, -0.0003269000000000, 0.0002280000000000 ] - [ -0.0004464500000000, -0.0003196400000000, -0.0004314600000000 ] - [ -0.0001393600000000, 0.0007897200000000, 0.0001219600000000 ] - [ -0.0000326200000000, 0.0005226700000000, -0.0002610300000000 ] - [ 0.0007461800000000, -0.0001694500000000, 0.0005290500000000 ] - [ -0.0008011900000000, -0.0004365500000000, 0.0001670000000000 ] - [ -0.0000562100000000, 0.0019126100000000, -0.0008216200000000 ] - [ 0.0009808500000000, -0.0025798200000000, -0.0008728900000000 ] - [ 0.0002325500000000, 0.0007330100000000, 0.0004224900000000 ] - [ -0.0004179400000000, -0.0000888700000000, -0.0001428200000000 ] - [ 0.0005483900000000, -0.0000132200000000, 0.0001293600000000 ] - [ -0.0003428100000000, 0.0003570800000000, -0.0000589000000000 ] - [ 0.0000420600000000, 0.0001080400000000, 0.0000569400000000 ] - [ 0.0003696500000000, -0.0000273800000000, 0.0002878400000000 ] - [ -0.0001654900000000, 0.0004510000000000, -0.0000353600000000 ] - [ 0.0000574500000000, -0.0001182400000000, -0.0000781500000000 ] - [ 0.0001155000000000, -0.0009651600000000, 0.0005381000000000 ] - [ 0.0003532700000000, 0.0001238100000000, -0.0001445300000000 ] - [ -0.0009067700000000, 0.0004296400000000, -0.0002527800000000 ] - [ 0.0010753800000000, -0.0015579400000000, 0.0006080200000000 ] - [ 0.0004516300000000, 0.0002470000000000, -0.0000323200000000 ] - [ -0.0002656200000000, -0.0000251800000000, 0.0001333100000000 ] - [ -0.0002740700000000, -0.0068794300000000, 0.0049027700000000 ] - [ -0.0035664300000000, 0.0014127700000000, 0.0026329700000000 ] - [ 0.0000724900000000, -0.0005472700000000, 0.0001513000000000 ] - [ 0.0004114800000000, 0.0000328200000000, -0.0000128100000000 ] - [ 0.0017677000000000, -0.0016904200000000, -0.0011276400000000 ] - [ -0.0004546300000000, 0.0001371400000000, -0.0002020900000000 ] - [ -0.0005417600000000, 0.0003956800000000, 0.0004004600000000 ] - [ -0.0004035300000000, 0.0001768300000000, -0.0002337600000000 ] - [ -0.0000913700000000, -0.0003232900000000, -0.0000858600000000 ] - [ -0.0000648800000000, 0.0004057100000000, 0.0003191600000000 ] - [ 0.0002603200000000, 0.0003161600000000, 0.0001168100000000 ] - [ 0.0002872800000000, 0.0006543300000000, -0.0000847900000000 ] - [ -0.0004870800000000, -0.0008237600000000, -0.0000788300000000 ] - [ 0.0001968900000000, -0.0011420400000000, 0.0037648100000000 ] - [ 0.0016288100000000, 0.0008100100000000, -0.0010584100000000 ] - [ -0.0007438300000000, -0.0005785800000000, 0.0000475000000000 ] - [ 0.0091828500000000, -0.0198177400000000, -0.0002415300000000 ] - [ 0.0013854400000000, 0.0001314700000000, 0.0003434600000000 ] - [ 0.0002404000000000, 0.0003312700000000, -0.0001198300000000 ] - [ -0.0003456300000000, 0.0008483600000000, -0.0000402000000000 ] - [ -0.0000031800000000, -0.0008771700000000, -0.0006865900000000 ] - [ 0.0001625300000000, -0.0001671300000000, 0.0000452900000000 ] - [ -0.0004115200000000, 0.0000814400000000, 0.0001676600000000 ] - [ -0.0000239000000000, -0.0009928500000000, 0.0007375400000000 ] - [ -0.0002821900000000, -0.0004118200000000, -0.0000440000000000 ] - [ 0.0049589400000000, -0.0004248800000000, 0.0000485400000000 ] - [ 0.0009467400000000, -0.0009034000000000, 0.0004035000000000 ] - [ -0.0003694300000000, -0.0007053300000000, 0.0000325200000000 ] - [ -0.0021295200000000, -0.0006449700000000, -0.0000229400000000 ] - [ 0.0005793200000000, 0.0001330100000000, 0.0003462900000000 ] - [ 0.0003821700000000, -0.0001251500000000, 0.0000170400000000 ] - [ -0.0003506400000000, -0.0005016700000000, 0.0000332700000000 ] - [ -0.0000521200000000, 0.0008089400000000, -0.0001451800000000 ] - [ 0.0013358900000000, -0.0037679400000000, 0.0065224500000000 ] - [ 0.0005360100000000, 0.0003793300000000, 0.0000734000000000 ] - [ -0.0019284400000000, -0.0005486300000000, -0.0013308900000000 ] - [ -0.0013292900000000, 0.0042946900000000, 0.0005335200000000 ] - [ 0.0015581500000000, -0.0003235200000000, -0.0010567600000000 ] - [ -0.0006010500000000, 0.0003058400000000, -0.0000022600000000 ] - [ 0.0003023300000000, 0.0000826600000000, -0.0000722400000000 ] - [ -0.0000476200000000, -0.0008696900000000, -0.0002409300000000 ] - [ 0.0001711000000000, -0.0004367900000000, 0.0000333700000000 ] - [ 0.0011884800000000, -0.0020189900000000, 0.0000607500000000 ] - [ 0.0011770200000000, 0.0001391300000000, -0.0000415800000000 ] - [ -0.0001774900000000, -0.0037073500000000, -0.0035765800000000 ] - [ 0.0005351100000000, -0.0005527100000000, 0.0000498900000000 ] - [ -0.0006148900000000, -0.0007852200000000, -0.0000126800000000 ] - [ -0.0028901200000000, 0.0052930000000000, 0.0006213600000000 ] - [ 0.0005500700000000, 0.0002388400000000, -0.0001035400000000 ] - [ -0.0004265600000000, -0.0005113000000000, -0.0000573200000000 ] - [ -0.0010670800000000, -0.0002334300000000, -0.0005088700000000 ] - [ -0.0010240300000000, 0.0051538600000000, -0.0012649800000000 ] - [ 0.0018726800000000, -0.0002450100000000, 0.0011702800000000 ] - [ -0.0007704300000000, 0.0004627300000000, 0.0003283300000000 ] - [ -0.0036816100000000, -0.0035060700000000, 0.0018314200000000 ] - [ 0.0037142400000000, -0.0085629000000000, -0.0122869800000000 ] - [ 0.0008513900000000, 0.0008084200000000, -0.0000300800000000 ] - [ -0.0004325500000000, -0.0007993000000000, 0.0000282100000000 ] - [ 0.0008968300000000, 0.0002198300000000, 0.0012840400000000 ] - [ 0.0007853400000000, -0.0011436400000000, 0.0001145400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0014250000000000, 0.0014037500000000, -0.0555060300000000 ] - [ -0.0000898900000000, 0.0000754000000000, -0.0001627400000000 ] - [ 0.0006990300000000, -0.0007165000000000, -0.0003755500000000 ] - [ 0.0001001600000000, 0.0001119800000000, -0.0001393300000000 ] - [ -0.0000424700000000, 0.0000245100000000, -0.0000983200000000 ] - [ -0.0002691400000000, 0.0001153600000000, -0.0000934400000000 ] - [ 0.0000320900000000, 0.0000723300000000, 0.0000319400000000 ] - [ 0.0000358700000000, 0.0002991900000000, -0.0000768100000000 ] - [ -0.0000536200000000, -0.0003495400000000, -0.0000763600000000 ] - [ 0.0000273300000000, -0.0000111900000000, -0.0000392100000000 ] - [ -0.0008068700000000, 0.0004576100000000, 0.0002772500000000 ] - [ 0.0000475600000000, 0.0000592500000000, 0.0000930900000000 ] - [ -0.0000016900000000, 0.0000010000000000, 0.0000062600000000 ] - [ 0.0000665500000000, -0.0002002500000000, 0.0011301200000000 ] - [ -0.0000548100000000, -0.0001434200000000, 0.0000222700000000 ] - [ 0.0004909900000000, 0.0004004200000000, 0.0010907300000000 ] - [ -0.0001171200000000, -0.0001772700000000, 0.0000640900000000 ] - [ 0.0003381000000000, 0.0003790500000000, 0.0002591600000000 ] - [ 0.0000803200000000, 0.0000902400000000, 0.0000856700000000 ] - [ 0.0002948900000000, -0.0000223000000000, 0.0002271500000000 ] - [ 0.0002463900000000, -0.0004203100000000, 0.0002286400000000 ] - [ -0.0004440100000000, 0.0000286700000000, -0.0000454800000000 ] - [ -0.0000409300000000, 0.0000603600000000, -0.0000303200000000 ] - [ 0.0035385900000000, 0.0057445600000000, 0.0162224100000000 ] - [ 0.0002748900000000, -0.0000851300000000, 0.0002419300000000 ] - [ -0.0000709000000000, 0.0001588300000000, 0.0004418500000000 ] - [ 0.0001891400000000, 0.0035255200000000, 0.0002806600000000 ] - [ -0.0000084100000000, 0.0003794300000000, 0.0005187300000000 ] - [ -0.0000388300000000, -0.0000776800000000, -0.0000864700000000 ] - [ -0.0000376500000000, -0.0001101400000000, 0.0001830800000000 ] - [ 0.0004736400000000, -0.0004857200000000, 0.0011116300000000 ] - [ -0.0001871800000000, -0.0001137500000000, 0.0001060700000000 ] - [ 0.0000928600000000, 0.0002531100000000, 0.0001126300000000 ] - [ 0.0003832000000000, -0.0010330500000000, -0.0003112500000000 ] - [ -0.0001051700000000, 0.0001307300000000, -0.0001057200000000 ] - [ 0.0002085400000000, 0.0000847400000000, -0.0000456900000000 ] - [ -0.0001282100000000, 0.0000990800000000, -0.0000521800000000 ] - [ 0.0002096200000000, -0.0000311000000000, 0.0030811900000000 ] - [ 0.0001302400000000, -0.0000797500000000, -0.0000087500000000 ] - [ -0.0001946000000000, 0.0001905300000000, 0.0000911200000000 ] - [ -0.0002099100000000, 0.0000648000000000, 0.0004659900000000 ] - [ 0.0000557400000000, -0.0000393400000000, 0.0000869900000000 ] - [ 0.0000939600000000, 0.0000731600000000, -0.0001025600000000 ] - [ 0.0000323500000000, 0.0000447200000000, -0.0001777000000000 ] - [ -0.0000275000000000, 0.0004381200000000, -0.0004386500000000 ] - [ -0.0004186200000000, -0.0001562700000000, -0.0008349600000000 ] - [ 0.0002121000000000, 0.0000703300000000, -0.0003478200000000 ] - [ -0.0000990600000000, 0.0002434500000000, -0.0003011800000000 ] - [ -0.0015752300000000, -0.0006937900000000, -0.0003975400000000 ] - [ -0.0002593900000000, 0.0000591900000000, 0.0002472900000000 ] - [ 0.0000373100000000, -0.0000246600000000, 0.0001918300000000 ] - [ -0.0002945500000000, 0.0026251700000000, -0.0018808800000000 ] - [ 0.0001544700000000, -0.0014002700000000, 0.0003650500000000 ] - [ 0.0001658200000000, 0.0002060800000000, -0.0000880700000000 ] - [ 0.0001951100000000, -0.0000975000000000, -0.0000521200000000 ] - [ -0.0003515600000000, -0.0000137300000000, -0.0002265400000000 ] - [ 0.0006442200000000, 0.0003371500000000, -0.0002980900000000 ] - [ -0.0000559800000000, -0.0000241800000000, -0.0002258600000000 ] - [ -0.0001140400000000, 0.0003110700000000, -0.0004096500000000 ] - [ 0.0000836100000000, -0.0000455200000000, -0.0001749700000000 ] - [ 0.0023592400000000, 0.0011727000000000, -0.0022054500000000 ] - [ -0.0002065300000000, -0.0002319300000000, -0.0001294600000000 ] - [ -0.0001749200000000, -0.0000665500000000, -0.0001699000000000 ] - [ 0.0005383100000000, 0.0001818300000000, 0.0009171800000000 ] - [ 0.0000252300000000, 0.0000242200000000, 0.0002985400000000 ] - [ 0.0000210900000000, 0.0000578200000000, 0.0001573300000000 ] - [ -0.0034111100000000, -0.0073043000000000, 0.0165871200000000 ] - [ 0.0002347100000000, -0.0002545400000000, 0.0003565700000000 ] - [ 0.0003900900000000, -0.0002972500000000, 0.0001742900000000 ] - [ 0.0003321300000000, -0.0000066900000000, 0.0000613700000000 ] - [ -0.0003411800000000, 0.0001668700000000, 0.0004820000000000 ] - [ -0.0001686000000000, 0.0001815500000000, -0.0001410900000000 ] - [ 0.0000045000000000, -0.0001553600000000, 0.0001769500000000 ] - [ -0.0006753300000000, 0.0005017100000000, -0.0003899800000000 ] - [ 0.0001725200000000, -0.0002744200000000, -0.0002116000000000 ] - [ 0.0001592000000000, 0.0000729900000000, 0.0002097800000000 ] - [ -0.0002623800000000, 0.0001955100000000, -0.0003652900000000 ] - [ -0.0000241100000000, 0.0000857200000000, -0.0005598600000000 ] - [ 0.0002818500000000, -0.0003126000000000, -0.0000737200000000 ] - [ 0.0004599400000000, -0.0020234900000000, -0.0006859300000000 ] - [ 0.0029821200000000, 0.0016474800000000, -0.0018208900000000 ] - [ -0.0000375800000000, -0.0002712200000000, 0.0002516800000000 ] - [ -0.0001259900000000, 0.0001987400000000, 0.0052698900000000 ] - [ 0.0015801800000000, 0.0008133700000000, 0.0033909400000000 ] - [ 0.0002967300000000, 0.0002747500000000, -0.0002112700000000 ] - [ 0.0001355000000000, -0.0000120500000000, -0.0002031300000000 ] - [ -0.0015903700000000, 0.0002151500000000, -0.0013849500000000 ] - [ -0.0001741900000000, 0.0001300800000000, -0.0005400900000000 ] - [ -0.0000853500000000, 0.0001169200000000, -0.0003463000000000 ] - [ -0.0002261800000000, -0.0004809700000000, -0.0059011400000000 ] - [ -0.0002935900000000, 0.0001322700000000, -0.0000768000000000 ] - [ -0.0002834000000000, -0.0002048100000000, -0.0012888400000000 ] - [ 0.0001867300000000, 0.0002086800000000, -0.0002406900000000 ] - [ -0.0003910500000000, -0.0010532800000000, -0.0000298400000000 ] - [ 0.0001568100000000, 0.0000419300000000, 0.0000891100000000 ] - [ 0.0000158800000000, 0.0000711400000000, -0.0000582600000000 ] - [ -0.0000928800000000, 0.0000425600000000, 0.0000138900000000 ] - [ -0.0001250400000000, -0.0000806500000000, 0.0000392300000000 ] - [ -0.0010210800000000, -0.0013959800000000, 0.0003478300000000 ] - [ 0.0013814300000000, -0.0032547100000000, -0.0016539100000000 ] - [ 0.0001032600000000, -0.0002243800000000, -0.0001555900000000 ] - [ 0.0039564000000000, 0.0050596300000000, -0.0017700200000000 ] - [ 0.0006101400000000, 0.0008147000000000, 0.0099234400000000 ] - [ -0.0002042500000000, -0.0000502400000000, 0.0004304600000000 ] - [ -0.0010537600000000, 0.0002490700000000, 0.0004551400000000 ] - [ -0.0000112100000000, 0.0001382700000000, 0.0001445500000000 ] - [ -0.0000122100000000, -0.0000403800000000, 0.0010417300000000 ] - [ 0.0001695800000000, -0.0000354200000000, 0.0001415300000000 ] - [ 0.0002424300000000, -0.0002078700000000, -0.0001915600000000 ] - [ -0.0004414900000000, 0.0002765900000000, -0.0001739600000000 ] - [ -0.0014430000000000, 0.0015838300000000, -0.0009177800000000 ] - [ -0.0000945200000000, -0.0003671400000000, 0.0000019400000000 ] - [ -0.0000276400000000, -0.0003200800000000, -0.0004330000000000 ] - [ -0.0000929300000000, 0.0001303500000000, -0.0017861200000000 ] - [ -0.0000351700000000, 0.0000760100000000, 0.0004762500000000 ] - [ -0.0000975800000000, 0.0002122600000000, 0.0004749700000000 ] - [ -0.0000198300000000, -0.0006944900000000, 0.0001886600000000 ] - [ -0.0027859100000000, -0.0028285200000000, 0.0179202500000000 ] - [ 0.0006680800000000, -0.0003634800000000, 0.0005298800000000 ] - [ 0.0013547200000000, 0.0000535900000000, 0.0003998600000000 ] - [ -0.0067300300000000, -0.0090426200000000, -0.0015848900000000 ] - [ -0.0022339000000000, 0.0055947900000000, -0.0004686400000000 ] - [ -0.0004657100000000, 0.0002289600000000, -0.0002111700000000 ] - [ -0.0004657900000000, -0.0002009400000000, 0.0002251000000000 ] - [ 0.0021127900000000, -0.0011293800000000, 0.0008651200000000 ] - [ 0.0000317800000000, 0.0001672400000000, 0.0002839100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0022801400000000, -0.0026658800000000, 0.0552414100000000 ] - [ -0.0001784000000000, 0.0000988000000000, -0.0000594700000000 ] - [ -0.0007962000000000, 0.0003840800000000, 0.0001537100000000 ] - [ 0.0001907400000000, -0.0000506400000000, -0.0000880500000000 ] - [ 0.0000815800000000, -0.0000292200000000, 0.0003891900000000 ] - [ 0.0003394100000000, -0.0000261700000000, 0.0003939800000000 ] - [ -0.0000364400000000, 0.0000522700000000, -0.0000303600000000 ] - [ -0.0002484400000000, -0.0001462700000000, 0.0001186500000000 ] - [ -0.0000506200000000, 0.0000796300000000, 0.0001121900000000 ] - [ 0.0002147100000000, 0.0000281000000000, 0.0000709800000000 ] - [ 0.0007664600000000, -0.0004747300000000, -0.0002812700000000 ] - [ 0.0000687300000000, -0.0000315100000000, -0.0000906000000000 ] - [ -0.0000193500000000, 0.0001317500000000, -0.0000564100000000 ] - [ -0.0003006500000000, 0.0003686200000000, -0.0013065800000000 ] - [ -0.0000539700000000, -0.0001605500000000, -0.0001988700000000 ] - [ -0.0002173600000000, -0.0003686100000000, -0.0012675500000000 ] - [ 0.0000844600000000, 0.0001371000000000, -0.0001190700000000 ] - [ -0.0002118500000000, -0.0003452600000000, -0.0002990300000000 ] - [ -0.0000084900000000, -0.0000800600000000, -0.0000010200000000 ] - [ -0.0003428400000000, 0.0000769000000000, -0.0001454300000000 ] - [ -0.0002718200000000, 0.0003575200000000, -0.0001486400000000 ] - [ 0.0003325400000000, -0.0004741000000000, -0.0002897800000000 ] - [ 0.0004852600000000, 0.0000635800000000, -0.0003128000000000 ] - [ -0.0035788700000000, -0.0049367500000000, -0.0154315200000000 ] - [ -0.0002325100000000, -0.0002230200000000, 0.0003166100000000 ] - [ -0.0002180800000000, -0.0000690700000000, 0.0001279700000000 ] - [ 0.0000547800000000, -0.0039010800000000, -0.0005060500000000 ] - [ 0.0002385900000000, -0.0001879500000000, 0.0000398300000000 ] - [ -0.0003598800000000, 0.0000975900000000, -0.0001395900000000 ] - [ 0.0002260500000000, 0.0004958300000000, -0.0004265200000000 ] - [ -0.0001147900000000, 0.0000550200000000, -0.0011741400000000 ] - [ -0.0003830200000000, 0.0000395500000000, -0.0001771500000000 ] - [ 0.0001116800000000, 0.0002745200000000, -0.0001760700000000 ] - [ -0.0005487900000000, 0.0006288000000000, 0.0002976000000000 ] - [ -0.0001401900000000, 0.0001630900000000, 0.0000843600000000 ] - [ 0.0001550500000000, -0.0000216000000000, 0.0000196200000000 ] - [ 0.0000077000000000, 0.0001203200000000, -0.0002108500000000 ] - [ 0.0001831800000000, 0.0000508500000000, -0.0033394200000000 ] - [ -0.0002534300000000, -0.0002084200000000, -0.0002572300000000 ] - [ 0.0000989200000000, -0.0000689200000000, -0.0000102700000000 ] - [ 0.0003724100000000, -0.0000422400000000, -0.0004005600000000 ] - [ -0.0000892900000000, -0.0000708900000000, 0.0000028400000000 ] - [ -0.0000453100000000, -0.0000592500000000, 0.0001685400000000 ] - [ -0.0000649800000000, -0.0000151500000000, 0.0002337500000000 ] - [ 0.0000193300000000, -0.0004799600000000, 0.0004983700000000 ] - [ 0.0003329500000000, -0.0002958000000000, 0.0005036200000000 ] - [ 0.0002280800000000, 0.0000659600000000, 0.0000104400000000 ] - [ -0.0002455000000000, 0.0000583300000000, -0.0000350500000000 ] - [ 0.0016363500000000, 0.0004045600000000, 0.0009800700000000 ] - [ -0.0000206900000000, 0.0000288300000000, 0.0003456900000000 ] - [ 0.0002143900000000, -0.0003387900000000, -0.0004435600000000 ] - [ 0.0005115100000000, -0.0024252500000000, 0.0024469200000000 ] - [ -0.0005383000000000, 0.0014068200000000, -0.0006154400000000 ] - [ 0.0000146100000000, 0.0001901300000000, -0.0001664900000000 ] - [ 0.0001366300000000, -0.0003684200000000, -0.0000005800000000 ] - [ -0.0002299300000000, -0.0000218600000000, 0.0001667400000000 ] - [ -0.0004039200000000, 0.0001829100000000, 0.0002502100000000 ] - [ -0.0001148800000000, -0.0003790000000000, 0.0002779700000000 ] - [ -0.0001356300000000, -0.0000111900000000, 0.0004636700000000 ] - [ 0.0002843900000000, 0.0001104200000000, 0.0002176200000000 ] - [ -0.0024590900000000, -0.0009352800000000, 0.0019653100000000 ] - [ 0.0004719100000000, 0.0002061600000000, -0.0000997900000000 ] - [ 0.0000368200000000, -0.0002202600000000, -0.0000596200000000 ] - [ -0.0006457500000000, -0.0000860200000000, -0.0008307100000000 ] - [ 0.0001262400000000, 0.0000174900000000, -0.0002284300000000 ] - [ -0.0000338300000000, -0.0001720100000000, -0.0000761500000000 ] - [ 0.0038200700000000, 0.0079792400000000, -0.0172182700000000 ] - [ -0.0002546900000000, 0.0002826100000000, -0.0002479400000000 ] - [ -0.0004018900000000, 0.0002515300000000, -0.0000437900000000 ] - [ -0.0004235000000000, -0.0004360800000000, -0.0004070700000000 ] - [ 0.0007733900000000, -0.0000363600000000, -0.0008414100000000 ] - [ -0.0001745700000000, 0.0001118500000000, -0.0002079300000000 ] - [ 0.0000473700000000, -0.0001309400000000, 0.0003603500000000 ] - [ 0.0004061400000000, -0.0004086100000000, 0.0009362600000000 ] - [ 0.0000757200000000, -0.0000781900000000, 0.0000086000000000 ] - [ 0.0000690400000000, 0.0001014300000000, 0.0003260900000000 ] - [ -0.0001307700000000, -0.0001814100000000, 0.0001650000000000 ] - [ 0.0002009900000000, 0.0003090300000000, 0.0003576100000000 ] - [ 0.0000594400000000, -0.0001381100000000, 0.0000696100000000 ] - [ -0.0010455500000000, 0.0019977400000000, 0.0006686000000000 ] - [ -0.0027495700000000, -0.0011275500000000, 0.0018218100000000 ] - [ -0.0001267700000000, -0.0001143200000000, -0.0002310700000000 ] - [ -0.0001426200000000, 0.0001837700000000, -0.0052558500000000 ] - [ -0.0012384200000000, -0.0007560200000000, -0.0033885300000000 ] - [ -0.0004172800000000, -0.0000397800000000, -0.0000535600000000 ] - [ 0.0001377000000000, -0.0000086900000000, -0.0000640200000000 ] - [ 0.0014734000000000, -0.0005189100000000, 0.0011213000000000 ] - [ 0.0000658600000000, -0.0000182300000000, 0.0006579600000000 ] - [ 0.0002384500000000, -0.0000787100000000, 0.0004622600000000 ] - [ 0.0002033600000000, 0.0003582300000000, 0.0060543900000000 ] - [ -0.0000310100000000, 0.0000907500000000, 0.0001650500000000 ] - [ 0.0002477600000000, -0.0002138400000000, 0.0013769600000000 ] - [ 0.0001705800000000, -0.0000550800000000, 0.0003311800000000 ] - [ 0.0002139100000000, 0.0012112200000000, 0.0000900400000000 ] - [ -0.0001981700000000, -0.0002648900000000, -0.0000286300000000 ] - [ 0.0002214000000000, 0.0000153600000000, 0.0001179600000000 ] - [ -0.0002232600000000, 0.0001367800000000, 0.0000481700000000 ] - [ 0.0001018000000000, -0.0002874900000000, 0.0000231300000000 ] - [ 0.0013253700000000, 0.0015508700000000, -0.0002914400000000 ] - [ -0.0016375700000000, 0.0034011500000000, 0.0016930000000000 ] - [ -0.0001110200000000, -0.0000839200000000, 0.0002245500000000 ] - [ -0.0036651900000000, -0.0048899100000000, 0.0018273900000000 ] - [ -0.0009370700000000, -0.0006227500000000, -0.0099045900000000 ] - [ 0.0001871800000000, -0.0003332700000000, -0.0003076900000000 ] - [ 0.0013772300000000, -0.0000682200000000, -0.0003354600000000 ] - [ -0.0002302600000000, 0.0000206900000000, -0.0001308600000000 ] - [ -0.0000021100000000, -0.0002368400000000, -0.0010290200000000 ] - [ 0.0000953200000000, 0.0001723100000000, -0.0001317900000000 ] - [ 0.0001350900000000, 0.0002374300000000, -0.0000336500000000 ] - [ 0.0002317100000000, 0.0000281800000000, -0.0000493800000000 ] - [ 0.0012565300000000, -0.0019207800000000, 0.0006716200000000 ] - [ -0.0003097400000000, 0.0000842900000000, 0.0001929700000000 ] - [ 0.0004578900000000, 0.0001350200000000, 0.0006387200000000 ] - [ 0.0000694400000000, 0.0004185600000000, 0.0019894900000000 ] - [ 0.0004232000000000, -0.0000501200000000, -0.0006972000000000 ] - [ -0.0001174500000000, 0.0000891000000000, -0.0006971800000000 ] - [ -0.0001474100000000, 0.0003416200000000, -0.0004158900000000 ] - [ 0.0024067900000000, 0.0026369900000000, -0.0175017100000000 ] - [ -0.0002750800000000, 0.0001574400000000, -0.0002717500000000 ] - [ -0.0013650900000000, 0.0004200700000000, -0.0001402800000000 ] - [ 0.0071233000000000, 0.0090805700000000, 0.0014028500000000 ] - [ 0.0020253400000000, -0.0053176500000000, 0.0004012400000000 ] - [ 0.0002933900000000, -0.0005812300000000, 0.0000453900000000 ] - [ 0.0000654500000000, -0.0000481800000000, -0.0000159200000000 ] - [ -0.0017416000000000, 0.0009481700000000, -0.0006388500000000 ] - [ -0.0000542100000000, 0.0003097200000000, -0.0000665700000000 ]- atom: 2 displacement: [ 0.0100000000000000, -0.0000000000071070, 0.0000000000000000 ] forces: - [ 0.0005291300000000, -0.0000643600000000, 0.0001914900000000 ] - [ -0.0406201200000000, 0.0010980200000000, -0.0023291900000000 ] - [ 0.0008312100000000, 0.0006825200000000, 0.0001942400000000 ] - [ -0.0001603200000000, -0.0001368300000000, -0.0001357600000000 ] - [ 0.0003450300000000, 0.0004665800000000, 0.0000982100000000 ] - [ 0.0010847300000000, -0.0005371400000000, -0.0006947500000000 ] - [ -0.0000542500000000, 0.0000047600000000, 0.0001844400000000 ] - [ 0.0001011800000000, 0.0002606000000000, -0.0000461100000000 ] - [ 0.0000314200000000, -0.0004220500000000, -0.0000024900000000 ] - [ -0.0004461200000000, 0.0000815000000000, 0.0000583000000000 ] - [ 0.0001978100000000, -0.0000911800000000, -0.0005128700000000 ] - [ -0.0000696500000000, 0.0003020600000000, 0.0000088300000000 ] - [ -0.0000650700000000, 0.0002969500000000, 0.0001165100000000 ] - [ 0.0000891000000000, -0.0000767500000000, -0.0000998800000000 ] - [ -0.0001769100000000, 0.0000305000000000, 0.0004955000000000 ] - [ 0.0006109300000000, 0.0000743900000000, -0.0000600600000000 ] - [ 0.0002485100000000, -0.0003700200000000, 0.0000359200000000 ] - [ -0.0001388400000000, -0.0008996600000000, -0.0002078700000000 ] - [ 0.0003775500000000, 0.0005534300000000, 0.0002408400000000 ] - [ 0.0027485200000000, -0.0005475500000000, -0.0011558200000000 ] - [ 0.0000749700000000, -0.0008846700000000, -0.0000732400000000 ] - [ -0.0003677600000000, -0.0003518300000000, -0.0001637300000000 ] - [ -0.0000396100000000, 0.0002907800000000, 0.0002357800000000 ] - [ -0.0006303500000000, 0.0000806400000000, -0.0000605800000000 ] - [ 0.0008609400000000, 0.0007010200000000, 0.0001252100000000 ] - [ -0.0001296800000000, 0.0006330500000000, 0.0002348600000000 ] - [ -0.0006672700000000, -0.0002595000000000, -0.0001185700000000 ] - [ 0.0000913400000000, -0.0003161700000000, 0.0004038000000000 ] - [ 0.0073599500000000, 0.0053529400000000, -0.0000466000000000 ] - [ -0.0000712100000000, 0.0004707500000000, -0.0001413600000000 ] - [ -0.0009443700000000, -0.0014175600000000, -0.0013937800000000 ] - [ 0.0051262800000000, -0.0025643200000000, -0.0027427400000000 ] - [ 0.0004291300000000, 0.0001924300000000, -0.0001849500000000 ] - [ -0.0003716000000000, -0.0006132300000000, 0.0001284200000000 ] - [ 0.0007069600000000, -0.0002976100000000, 0.0006709300000000 ] - [ 0.0004322600000000, 0.0000826600000000, -0.0000694600000000 ] - [ -0.0002144400000000, -0.0003878100000000, -0.0000677600000000 ] - [ -0.0004890500000000, 0.0019054700000000, -0.0008946200000000 ] - [ -0.0006459100000000, 0.0007906200000000, 0.0000955100000000 ] - [ -0.0000472200000000, -0.0007646800000000, 0.0001056600000000 ] - [ 0.0157567600000000, -0.0011790600000000, 0.0002029100000000 ] - [ 0.0005782300000000, 0.0010164800000000, 0.0004679400000000 ] - [ 0.0004678500000000, 0.0000193300000000, 0.0000386700000000 ] - [ -0.0005001000000000, 0.0000412200000000, 0.0000250900000000 ] - [ -0.0001725600000000, 0.0006243600000000, 0.0000643300000000 ] - [ 0.0011056800000000, -0.0003381600000000, 0.0035138000000000 ] - [ 0.0003936800000000, -0.0008122100000000, -0.0002695400000000 ] - [ 0.0001572600000000, 0.0017631100000000, -0.0012451600000000 ] - [ -0.0008313000000000, 0.0000074900000000, 0.0001820700000000 ] - [ -0.0003060600000000, -0.0003917800000000, 0.0004140400000000 ] - [ 0.0000847200000000, 0.0000863000000000, -0.0001610600000000 ] - [ -0.0002553800000000, 0.0005288500000000, 0.0003915700000000 ] - [ -0.0011465600000000, -0.0002937500000000, -0.0002680400000000 ] - [ 0.0012437700000000, 0.0001127400000000, 0.0006520200000000 ] - [ 0.0001373000000000, 0.0001400300000000, 0.0000484100000000 ] - [ -0.0003815600000000, -0.0002540300000000, 0.0000171400000000 ] - [ 0.0007465500000000, 0.0003448300000000, -0.0001391700000000 ] - [ -0.0001556000000000, 0.0002396400000000, -0.0000255100000000 ] - [ -0.0002487500000000, -0.0000373100000000, -0.0000794000000000 ] - [ 0.0014914900000000, 0.0005940300000000, 0.0001739300000000 ] - [ -0.0004824300000000, 0.0004030200000000, 0.0000812900000000 ] - [ -0.0000793200000000, 0.0003313700000000, -0.0001848400000000 ] - [ 0.0000204800000000, -0.0004831200000000, -0.0000998800000000 ] - [ -0.0000621600000000, 0.0006631800000000, -0.0003418500000000 ] - [ -0.0002541000000000, 0.0002206200000000, 0.0001960800000000 ] - [ 0.0001436500000000, -0.0002448500000000, 0.0002087900000000 ] - [ -0.0010605500000000, -0.0004883500000000, -0.0000708000000000 ] - [ -0.0007679800000000, -0.0000814900000000, 0.0000802400000000 ] - [ -0.0035032300000000, -0.0014940000000000, -0.0004057800000000 ] - [ -0.0004236200000000, -0.0000257700000000, -0.0002694400000000 ] - [ 0.0000771800000000, 0.0009227100000000, -0.0000268400000000 ] - [ -0.0000668600000000, -0.0009263600000000, 0.0001468400000000 ] - [ 0.0004723100000000, -0.0003596900000000, 0.0003623600000000 ] - [ -0.0031075600000000, -0.0022930900000000, 0.0027597000000000 ] - [ 0.0013657300000000, -0.0005715500000000, -0.0004584800000000 ] - [ 0.0059666000000000, -0.0037156700000000, 0.0054064700000000 ] - [ -0.0003580600000000, 0.0003570400000000, -0.0001048800000000 ] - [ -0.0006411800000000, -0.0003884800000000, -0.0000416100000000 ] - [ -0.0008877300000000, -0.0018655100000000, -0.0012401700000000 ] - [ -0.0008951300000000, 0.0005470100000000, -0.0002802500000000 ] - [ -0.0012352400000000, 0.0004220100000000, 0.0002660900000000 ] - [ -0.0008698700000000, -0.0013389300000000, 0.0013398800000000 ] - [ -0.0005213400000000, 0.0004113100000000, 0.0000331500000000 ] - [ -0.0007307700000000, 0.0001147400000000, 0.0000416400000000 ] - [ -0.0002538900000000, 0.0009394200000000, -0.0005109200000000 ] - [ 0.0000767400000000, -0.0008030400000000, -0.0001644100000000 ] - [ -0.0034124200000000, 0.0023108900000000, 0.0017825500000000 ] - [ -0.0004186800000000, 0.0003089600000000, -0.0006580100000000 ] - [ -0.0001744000000000, -0.0001758600000000, -0.0000715200000000 ] - [ -0.0006032100000000, -0.0000486700000000, 0.0004937100000000 ] - [ -0.0004270700000000, -0.0018914400000000, -0.0012857100000000 ] - [ 0.0039542400000000, -0.0009292600000000, 0.0064307100000000 ] - [ 0.0000805800000000, 0.0008344000000000, 0.0000667000000000 ] - [ 0.0002496400000000, 0.0003193100000000, 0.0001484300000000 ] - [ 0.0001750100000000, -0.0008490700000000, 0.0000337400000000 ] - [ -0.0037703900000000, -0.0000154400000000, 0.0000612100000000 ] - [ -0.0002788900000000, 0.0003138500000000, -0.0000922200000000 ] - [ 0.0002284900000000, -0.0005790500000000, -0.0000695500000000 ] - [ -0.0000750300000000, -0.0003626600000000, 0.0001539600000000 ] - [ 0.0002914400000000, -0.0002005700000000, -0.0000206900000000 ] - [ -0.0000749900000000, 0.0000077500000000, -0.0011380400000000 ] - [ 0.0010477100000000, 0.0000615100000000, 0.0000374700000000 ] - [ 0.0019482400000000, -0.0001130500000000, 0.0001777200000000 ] - [ 0.0006571900000000, 0.0009266000000000, 0.0001570900000000 ] - [ 0.0022921400000000, -0.0010505100000000, 0.0018221000000000 ] - [ -0.0042621700000000, 0.0012309700000000, 0.0002312900000000 ] - [ 0.0007690900000000, 0.0012800200000000, -0.0011018400000000 ] - [ -0.0003743800000000, -0.0004482800000000, -0.0000394200000000 ] - [ -0.0002936400000000, -0.0004936900000000, 0.0001170600000000 ] - [ -0.0054491500000000, 0.0017682400000000, -0.0012039300000000 ] - [ 0.0008377400000000, 0.0013214300000000, 0.0008879500000000 ] - [ -0.0001511600000000, 0.0006400200000000, -0.0004909600000000 ] - [ 0.0009148800000000, -0.0012303700000000, 0.0000654600000000 ] - [ -0.0003048400000000, -0.0020777000000000, 0.0005485100000000 ] - [ -0.0016905000000000, 0.0001372500000000, -0.0003721600000000 ] - [ 0.0005408200000000, 0.0007816800000000, -0.0000387200000000 ] - [ 0.0002790700000000, -0.0010746700000000, -0.0000777000000000 ] - [ 0.0006947400000000, -0.0005682300000000, -0.0002958000000000 ] - [ 0.0004212400000000, 0.0005623800000000, 0.0002258600000000 ] - [ 0.0009347100000000, -0.0005228800000000, 0.0003044100000000 ] - [ 0.0022560300000000, 0.0002770900000000, -0.0004338600000000 ] - [ 0.0008130800000000, -0.0003722000000000, 0.0002094400000000 ] - [ 0.0072113600000000, 0.0087392700000000, -0.0000155000000000 ] - [ 0.0003340100000000, -0.0051780800000000, 0.0018954700000000 ] - [ 0.0091197900000000, -0.0011181900000000, -0.0117314700000000 ] - [ -0.0003046000000000, 0.0016648700000000, 0.0001376100000000 ]- atom: 2 displacement: [ -0.0100000000000000, 0.0000000000071070, 0.0000000000000000 ] forces: - [ -0.0005604500000000, 0.0001159100000000, 0.0001032300000000 ] - [ 0.0389242700000000, -0.0004810700000000, 0.0023700100000000 ] - [ -0.0009246400000000, -0.0010130700000000, -0.0004196100000000 ] - [ 0.0004495700000000, 0.0001937800000000, -0.0000930500000000 ] - [ -0.0003040100000000, -0.0004723300000000, 0.0001940100000000 ] - [ -0.0010229100000000, 0.0006333100000000, 0.0010063700000000 ] - [ 0.0000520900000000, 0.0001173300000000, -0.0001824700000000 ] - [ -0.0003144500000000, -0.0001078100000000, 0.0000870700000000 ] - [ -0.0001345400000000, 0.0001498100000000, 0.0000392500000000 ] - [ 0.0006828500000000, -0.0000614300000000, -0.0000243500000000 ] - [ -0.0002335700000000, 0.0000698600000000, 0.0005075900000000 ] - [ 0.0001837000000000, -0.0002731700000000, -0.0000065800000000 ] - [ 0.0000439000000000, -0.0001633600000000, -0.0001677500000000 ] - [ -0.0003270900000000, 0.0002488100000000, -0.0000793700000000 ] - [ 0.0000700500000000, -0.0003353900000000, -0.0006749300000000 ] - [ -0.0003384300000000, -0.0000443400000000, -0.0001201800000000 ] - [ -0.0002806400000000, 0.0003295100000000, -0.0000919700000000 ] - [ 0.0002673200000000, 0.0009365800000000, 0.0001625400000000 ] - [ -0.0003023300000000, -0.0005319900000000, -0.0001548700000000 ] - [ -0.0027714100000000, 0.0005965500000000, 0.0012232800000000 ] - [ -0.0000994700000000, 0.0008156400000000, 0.0001489300000000 ] - [ 0.0002556600000000, -0.0000942300000000, -0.0001789500000000 ] - [ 0.0004811300000000, -0.0001674100000000, -0.0005837500000000 ] - [ 0.0002950300000000, 0.0002358800000000, -0.0002868700000000 ] - [ -0.0007900900000000, -0.0009941600000000, 0.0004312900000000 ] - [ -0.0001609300000000, -0.0005422700000000, 0.0003342500000000 ] - [ 0.0009103400000000, -0.0001105900000000, -0.0001107100000000 ] - [ 0.0001378200000000, 0.0005058600000000, 0.0001540700000000 ] - [ -0.0078174700000000, -0.0055511800000000, -0.0001855900000000 ] - [ 0.0002636800000000, -0.0000716300000000, -0.0000873400000000 ] - [ 0.0012982600000000, 0.0009718200000000, 0.0013158800000000 ] - [ -0.0056452400000000, 0.0024729900000000, 0.0026577700000000 ] - [ -0.0002236000000000, 0.0003373700000000, 0.0001184800000000 ] - [ 0.0002042600000000, 0.0002131000000000, -0.0001480700000000 ] - [ -0.0009463500000000, 0.0005865800000000, -0.0006755700000000 ] - [ -0.0000664500000000, -0.0000175500000000, 0.0000400100000000 ] - [ 0.0000910800000000, 0.0006072700000000, -0.0001960500000000 ] - [ 0.0007457800000000, -0.0019099300000000, 0.0006255800000000 ] - [ 0.0005174600000000, -0.0010817800000000, -0.0003639200000000 ] - [ -0.0000477000000000, 0.0008837400000000, -0.0000256600000000 ] - [ -0.0142666400000000, 0.0010468100000000, -0.0003097600000000 ] - [ -0.0006191600000000, -0.0011133100000000, -0.0003769200000000 ] - [ -0.0004186700000000, -0.0000064400000000, 0.0000259600000000 ] - [ 0.0004635400000000, -0.0000116500000000, 0.0000301500000000 ] - [ 0.0001626300000000, -0.0006715700000000, -0.0000076900000000 ] - [ -0.0011943800000000, -0.0001102500000000, -0.0038212000000000 ] - [ 0.0000461400000000, 0.0009493000000000, -0.0000690400000000 ] - [ -0.0005012200000000, -0.0014413900000000, 0.0008986500000000 ] - [ 0.0008956200000000, -0.0002944700000000, 0.0004016900000000 ] - [ 0.0000237700000000, 0.0004770800000000, 0.0001782900000000 ] - [ 0.0001641000000000, -0.0004444000000000, -0.0000960400000000 ] - [ 0.0004746900000000, -0.0003375900000000, 0.0001900700000000 ] - [ 0.0007571900000000, 0.0003045500000000, 0.0000132300000000 ] - [ -0.0010632900000000, 0.0002695700000000, -0.0009008700000000 ] - [ 0.0001925100000000, -0.0006054700000000, -0.0001045300000000 ] - [ -0.0002008300000000, 0.0002181400000000, -0.0000777500000000 ] - [ -0.0005051300000000, 0.0001730000000000, 0.0000901200000000 ] - [ -0.0000169100000000, -0.0006421100000000, 0.0000803400000000 ] - [ -0.0000017300000000, 0.0003367100000000, 0.0001328600000000 ] - [ -0.0011218800000000, -0.0005282600000000, -0.0001266100000000 ] - [ 0.0003677800000000, -0.0001694200000000, -0.0003092200000000 ] - [ 0.0003421100000000, -0.0003577000000000, -0.0000445600000000 ] - [ -0.0001576700000000, 0.0001943900000000, -0.0001308000000000 ] - [ -0.0000473700000000, -0.0005551600000000, 0.0004111100000000 ] - [ 0.0004047200000000, -0.0001793600000000, -0.0001289600000000 ] - [ -0.0001569000000000, 0.0001297600000000, -0.0001283000000000 ] - [ 0.0011094700000000, 0.0005034300000000, 0.0002050900000000 ] - [ 0.0007322400000000, 0.0001133200000000, 0.0000457900000000 ] - [ 0.0035353600000000, 0.0014890500000000, 0.0005411400000000 ] - [ 0.0003299500000000, -0.0004167800000000, -0.0000783600000000 ] - [ 0.0003543700000000, -0.0007803100000000, -0.0003240000000000 ] - [ -0.0002742400000000, 0.0012180700000000, -0.0004965500000000 ] - [ -0.0004139900000000, 0.0000744100000000, 0.0001763600000000 ] - [ 0.0028245900000000, 0.0023900600000000, -0.0022100200000000 ] - [ -0.0011160100000000, 0.0002117200000000, 0.0002531300000000 ] - [ -0.0056946000000000, 0.0039280600000000, -0.0049322600000000 ] - [ -0.0000373600000000, -0.0003431700000000, -0.0000954300000000 ] - [ 0.0008184300000000, 0.0007820200000000, -0.0001609400000000 ] - [ 0.0012100000000000, 0.0014201800000000, 0.0012304400000000 ] - [ 0.0003218500000000, -0.0005952600000000, 0.0002715900000000 ] - [ 0.0014591300000000, 0.0000941800000000, -0.0002627100000000 ] - [ 0.0006874700000000, 0.0009588200000000, -0.0013174500000000 ] - [ 0.0002842200000000, -0.0001232000000000, -0.0000187600000000 ] - [ 0.0010815000000000, -0.0000573300000000, -0.0000363800000000 ] - [ 0.0001117500000000, -0.0007073100000000, 0.0002520400000000 ] - [ 0.0001947100000000, 0.0007829700000000, -0.0001022000000000 ] - [ 0.0032700600000000, -0.0026057800000000, -0.0020510500000000 ] - [ 0.0003086200000000, -0.0001990700000000, 0.0007802800000000 ] - [ 0.0003298500000000, 0.0002117400000000, 0.0001883100000000 ] - [ 0.0005824100000000, -0.0000646200000000, -0.0003643000000000 ] - [ 0.0001252800000000, 0.0021047700000000, 0.0013744700000000 ] - [ -0.0039753400000000, 0.0005220900000000, -0.0062997200000000 ] - [ 0.0002742700000000, -0.0006783400000000, 0.0000234800000000 ] - [ -0.0004273600000000, -0.0001602400000000, -0.0000891000000000 ] - [ -0.0002176100000000, 0.0006178700000000, 0.0000232800000000 ] - [ 0.0039858800000000, 0.0001164600000000, -0.0000090800000000 ] - [ -0.0000379500000000, -0.0001335600000000, 0.0001545500000000 ] - [ -0.0002500700000000, 0.0002099000000000, 0.0001320800000000 ] - [ 0.0003863400000000, 0.0005307000000000, -0.0000907800000000 ] - [ -0.0005562100000000, 0.0003636600000000, 0.0000923000000000 ] - [ 0.0000738000000000, -0.0003156700000000, 0.0012099900000000 ] - [ -0.0007633000000000, 0.0000954200000000, 0.0000305700000000 ] - [ -0.0022768600000000, 0.0002912700000000, -0.0000607800000000 ] - [ -0.0006737500000000, -0.0013091100000000, -0.0000410700000000 ] - [ -0.0019788700000000, 0.0012491100000000, -0.0017277300000000 ] - [ 0.0040031000000000, -0.0010613200000000, -0.0001965800000000 ] - [ -0.0007830400000000, -0.0015564700000000, 0.0011116100000000 ] - [ 0.0006330700000000, 0.0005799700000000, 0.0000479300000000 ] - [ 0.0006666200000000, 0.0005132100000000, -0.0003385800000000 ] - [ 0.0051946100000000, -0.0014351600000000, 0.0009235300000000 ] - [ -0.0010171200000000, -0.0016539000000000, -0.0011120200000000 ] - [ -0.0002523500000000, -0.0009226900000000, 0.0006836900000000 ] - [ -0.0004853600000000, 0.0010462500000000, 0.0001399400000000 ] - [ 0.0002505500000000, 0.0025648300000000, -0.0003425500000000 ] - [ 0.0020714800000000, -0.0001038000000000, 0.0001483200000000 ] - [ -0.0007548600000000, -0.0004797700000000, -0.0001844700000000 ] - [ -0.0004422400000000, 0.0007260700000000, -0.0001523300000000 ] - [ -0.0010953100000000, 0.0003179700000000, 0.0005454400000000 ] - [ -0.0000290400000000, -0.0007644700000000, 0.0000348000000000 ] - [ -0.0009467900000000, 0.0010007700000000, -0.0000476700000000 ] - [ -0.0018663900000000, -0.0002442200000000, 0.0002748700000000 ] - [ -0.0010348000000000, 0.0006757500000000, -0.0003677400000000 ] - [ -0.0073597900000000, -0.0092448100000000, -0.0001503700000000 ] - [ -0.0006878300000000, 0.0049070300000000, -0.0017050200000000 ] - [ -0.0086238800000000, 0.0009037300000000, 0.0119126800000000 ] - [ 0.0002758400000000, -0.0011862600000000, 0.0000760300000000 ]- atom: 2 displacement: [ -0.0049999999943570, 0.0086602540411024, 0.0000000000000000 ] forces: - [ -0.0003576200000000, 0.0000189500000000, 0.0001145800000000 ] - [ 0.0204593600000000, -0.0412971100000000, 0.0040233400000000 ] - [ -0.0002924900000000, -0.0006602600000000, -0.0003125000000000 ] - [ 0.0006960400000000, 0.0010709400000000, -0.0000462600000000 ] - [ 0.0002683400000000, 0.0002614000000000, 0.0001002500000000 ] - [ -0.0007448000000000, -0.0003096800000000, 0.0002541700000000 ] - [ -0.0002502700000000, 0.0001701100000000, -0.0003376200000000 ] - [ -0.0003520100000000, 0.0001317500000000, -0.0000081300000000 ] - [ -0.0002352100000000, 0.0003064300000000, 0.0000407900000000 ] - [ 0.0004604800000000, -0.0000769200000000, -0.0004421600000000 ] - [ 0.0000272500000000, -0.0001031300000000, 0.0003527200000000 ] - [ 0.0003464500000000, 0.0000370700000000, -0.0000064300000000 ] - [ 0.0001272400000000, 0.0004117000000000, 0.0000956100000000 ] - [ -0.0000628600000000, 0.0003169400000000, -0.0000728300000000 ] - [ 0.0001674300000000, -0.0006749900000000, 0.0002546000000000 ] - [ -0.0001555000000000, -0.0000549600000000, -0.0000643000000000 ] - [ -0.0005468200000000, 0.0004833600000000, -0.0001221900000000 ] - [ -0.0003064300000000, 0.0005480300000000, 0.0001636800000000 ] - [ -0.0004115300000000, -0.0011040000000000, -0.0004663300000000 ] - [ -0.0026142400000000, 0.0015670900000000, 0.0004226300000000 ] - [ -0.0002545400000000, 0.0003127100000000, 0.0000931300000000 ] - [ -0.0002628800000000, -0.0003809600000000, -0.0001681600000000 ] - [ 0.0004732500000000, 0.0006237900000000, -0.0001112900000000 ] - [ 0.0001039400000000, 0.0002883800000000, -0.0002209000000000 ] - [ 0.0013673800000000, -0.0011328400000000, 0.0010379300000000 ] - [ 0.0000891700000000, -0.0006801300000000, 0.0002751200000000 ] - [ 0.0005194700000000, -0.0001232900000000, -0.0001030300000000 ] - [ 0.0002894300000000, -0.0004523800000000, 0.0003651500000000 ] - [ 0.0007436500000000, 0.0145416800000000, 0.0001449200000000 ] - [ 0.0000001100000000, -0.0006163700000000, -0.0001233600000000 ] - [ 0.0005505400000000, 0.0005293900000000, 0.0006242600000000 ] - [ -0.0049451700000000, 0.0090995200000000, 0.0059803400000000 ] - [ -0.0005060200000000, -0.0001817700000000, -0.0000544300000000 ] - [ -0.0000587500000000, 0.0000160900000000, -0.0001253800000000 ] - [ -0.0008564000000000, 0.0013938700000000, -0.0013409600000000 ] - [ -0.0002716000000000, -0.0003531000000000, 0.0000024200000000 ] - [ -0.0004964700000000, -0.0002561700000000, -0.0000131100000000 ] - [ 0.0007973000000000, -0.0005739900000000, 0.0002848400000000 ] - [ 0.0013466800000000, -0.0009803600000000, -0.0004339900000000 ] - [ -0.0004164000000000, 0.0001481400000000, 0.0000461700000000 ] - [ -0.0087265700000000, 0.0036751100000000, -0.0000184400000000 ] - [ 0.0008965200000000, -0.0028274600000000, 0.0002731100000000 ] - [ -0.0003674800000000, -0.0002866400000000, -0.0003576700000000 ] - [ 0.0006284800000000, -0.0001173800000000, 0.0000383400000000 ] - [ 0.0004348900000000, -0.0008656200000000, 0.0000538900000000 ] - [ -0.0012121900000000, 0.0006026600000000, -0.0023804400000000 ] - [ -0.0001329400000000, 0.0003796700000000, -0.0001188200000000 ] - [ -0.0004233600000000, -0.0020867500000000, 0.0015685800000000 ] - [ 0.0006549700000000, -0.0000967400000000, 0.0004000500000000 ] - [ -0.0002363600000000, 0.0001710400000000, 0.0002720700000000 ] - [ 0.0002196800000000, -0.0009706300000000, -0.0001104200000000 ] - [ 0.0002611200000000, -0.0001500500000000, 0.0002506600000000 ] - [ 0.0001859800000000, 0.0001192200000000, -0.0000422600000000 ] - [ -0.0001679100000000, 0.0029255900000000, 0.0001382200000000 ] - [ 0.0003262900000000, -0.0006898600000000, -0.0000576100000000 ] - [ -0.0000976800000000, -0.0002275300000000, 0.0000516300000000 ] - [ 0.0001210700000000, 0.0002511900000000, -0.0004649700000000 ] - [ 0.0001395300000000, -0.0009158500000000, 0.0001562900000000 ] - [ 0.0000490500000000, -0.0000228700000000, -0.0000049800000000 ] - [ 0.0000707100000000, -0.0008318600000000, -0.0015116100000000 ] - [ 0.0002036400000000, 0.0001075300000000, -0.0001875400000000 ] - [ 0.0007075100000000, 0.0001586900000000, 0.0000367400000000 ] - [ -0.0003020900000000, -0.0002177900000000, -0.0001174600000000 ] - [ 0.0004730900000000, -0.0005678200000000, 0.0005364600000000 ] - [ 0.0006137000000000, -0.0002629500000000, -0.0002278200000000 ] - [ -0.0001780400000000, -0.0002891400000000, 0.0003033000000000 ] - [ 0.0006105800000000, 0.0003691200000000, 0.0001285600000000 ] - [ -0.0003315400000000, -0.0002434500000000, 0.0001437700000000 ] - [ -0.0002539200000000, 0.0037606600000000, -0.0000322700000000 ] - [ 0.0006799500000000, -0.0005297100000000, -0.0000050600000000 ] - [ 0.0008215500000000, -0.0007802000000000, -0.0004662600000000 ] - [ -0.0006498900000000, -0.0010231200000000, 0.0003047100000000 ] - [ -0.0009832000000000, -0.0005041400000000, 0.0002728400000000 ] - [ 0.0016757300000000, 0.0018361600000000, -0.0014307500000000 ] - [ -0.0005307000000000, 0.0008249500000000, -0.0009705900000000 ] - [ -0.0053867700000000, 0.0099075900000000, -0.0085103100000000 ] - [ 0.0001037700000000, -0.0006605400000000, -0.0000672600000000 ] - [ 0.0004801900000000, 0.0004166800000000, -0.0001540200000000 ] - [ -0.0020685100000000, -0.0007342500000000, -0.0011665700000000 ] - [ -0.0001094600000000, -0.0004182300000000, 0.0001330300000000 ] - [ 0.0007875500000000, 0.0004181800000000, -0.0002607100000000 ] - [ -0.0021126500000000, -0.0003795600000000, 0.0015241400000000 ] - [ -0.0000109900000000, -0.0001420000000000, 0.0000060600000000 ] - [ 0.0006154300000000, 0.0001773300000000, 0.0000851600000000 ] - [ 0.0023004600000000, -0.0004497400000000, 0.0002290400000000 ] - [ -0.0002533400000000, -0.0004394300000000, -0.0001554200000000 ] - [ 0.0014289700000000, -0.0010139500000000, -0.0011169700000000 ] - [ 0.0003852000000000, 0.0005628200000000, 0.0004483300000000 ] - [ -0.0001010900000000, -0.0001530100000000, -0.0001045800000000 ] - [ 0.0003037400000000, -0.0000207400000000, -0.0001661100000000 ] - [ -0.0024759600000000, 0.0037851300000000, 0.0037009500000000 ] - [ -0.0019232100000000, -0.0011400500000000, -0.0038404100000000 ] - [ 0.0009094600000000, 0.0002607100000000, 0.0000996500000000 ] - [ -0.0006111300000000, 0.0002809400000000, 0.0000924700000000 ] - [ -0.0004048300000000, 0.0010956300000000, 0.0000897200000000 ] - [ -0.0005138600000000, 0.0057310800000000, -0.0000967900000000 ] - [ 0.0000404400000000, 0.0004499500000000, 0.0000704200000000 ] - [ -0.0004096800000000, 0.0001802700000000, 0.0001321800000000 ] - [ -0.0001624100000000, 0.0003052000000000, -0.0002086300000000 ] - [ -0.0000866200000000, 0.0005767600000000, 0.0000288500000000 ] - [ -0.0001360400000000, -0.0011486900000000, -0.0007028500000000 ] - [ -0.0003743900000000, -0.0000375800000000, -0.0000552200000000 ] - [ -0.0012389800000000, 0.0001478600000000, 0.0000359500000000 ] - [ 0.0004764100000000, 0.0005394800000000, 0.0001596900000000 ] - [ -0.0017758400000000, -0.0012062200000000, 0.0000083200000000 ] - [ 0.0029946500000000, -0.0045029500000000, -0.0007438300000000 ] - [ -0.0002127100000000, -0.0009404900000000, 0.0006434300000000 ] - [ 0.0009062100000000, 0.0013841600000000, -0.0001379500000000 ] - [ 0.0008305700000000, 0.0016290800000000, -0.0001026600000000 ] - [ 0.0041688700000000, -0.0073498000000000, 0.0017386000000000 ] - [ -0.0002135100000000, -0.0008219400000000, -0.0005032600000000 ] - [ 0.0002908300000000, 0.0009185000000000, -0.0007719100000000 ] - [ -0.0011498400000000, 0.0013374100000000, 0.0002069000000000 ] - [ -0.0019828400000000, 0.0016169300000000, -0.0000855000000000 ] - [ 0.0014056900000000, 0.0004233800000000, 0.0021540600000000 ] - [ -0.0008377500000000, 0.0001714900000000, -0.0001851100000000 ] - [ -0.0007644100000000, 0.0012004100000000, -0.0002908700000000 ] - [ -0.0007085900000000, 0.0000177500000000, 0.0003277200000000 ] - [ 0.0004019200000000, 0.0000207400000000, 0.0002078300000000 ] - [ -0.0010236500000000, -0.0001520000000000, -0.0002495700000000 ] - [ -0.0008185200000000, -0.0003557600000000, 0.0000945100000000 ] - [ 0.0001298200000000, 0.0009705400000000, -0.0001830600000000 ] - [ 0.0081842400000000, -0.0043684800000000, -0.0002370000000000 ] - [ -0.0057777200000000, 0.0091838500000000, -0.0058023700000000 ] - [ -0.0044092900000000, -0.0006012600000000, 0.0072096300000000 ] - [ 0.0012945100000000, 0.0003878400000000, -0.0000552400000000 ]- atom: 2 displacement: [ 0.0049999999943570, -0.0086602540411024, 0.0000000000000000 ] forces: - [ 0.0003260500000000, 0.0000356100000000, 0.0001793100000000 ] - [ -0.0206687700000000, 0.0414079400000000, -0.0038908300000000 ] - [ 0.0001950700000000, 0.0003256900000000, 0.0000857600000000 ] - [ -0.0004001500000000, -0.0010052600000000, -0.0001820300000000 ] - [ -0.0002267500000000, -0.0002646400000000, 0.0001914000000000 ] - [ 0.0008125300000000, 0.0003977400000000, 0.0000490400000000 ] - [ 0.0002468700000000, -0.0000477300000000, 0.0003391700000000 ] - [ 0.0001379600000000, 0.0000200000000000, 0.0000492300000000 ] - [ 0.0001323600000000, -0.0005774800000000, -0.0000037100000000 ] - [ -0.0002238200000000, 0.0000956600000000, 0.0004793600000000 ] - [ -0.0000638800000000, 0.0000835100000000, -0.0003550100000000 ] - [ -0.0002303600000000, -0.0000087200000000, 0.0000084300000000 ] - [ -0.0001491700000000, -0.0002789500000000, -0.0001473900000000 ] - [ -0.0001742900000000, -0.0001423800000000, -0.0001067500000000 ] - [ -0.0002764900000000, 0.0003727500000000, -0.0004320700000000 ] - [ 0.0004272600000000, 0.0000852800000000, -0.0001158000000000 ] - [ 0.0005125000000000, -0.0005227600000000, 0.0000654900000000 ] - [ 0.0004400200000000, -0.0005059700000000, -0.0002093900000000 ] - [ 0.0004830600000000, 0.0011204100000000, 0.0005473800000000 ] - [ 0.0025759700000000, -0.0015196700000000, -0.0003496200000000 ] - [ 0.0002281700000000, -0.0003742000000000, -0.0000165000000000 ] - [ 0.0001503900000000, -0.0000647800000000, -0.0001738100000000 ] - [ -0.0000299800000000, -0.0004988300000000, -0.0002343500000000 ] - [ -0.0004373700000000, 0.0000285600000000, -0.0001263900000000 ] - [ -0.0013140100000000, 0.0008453200000000, -0.0004850800000000 ] - [ -0.0003750500000000, 0.0007731400000000, 0.0002927600000000 ] - [ -0.0002742100000000, -0.0002418300000000, -0.0001259300000000 ] - [ -0.0000587300000000, 0.0006445100000000, 0.0001919400000000 ] - [ -0.0014417400000000, -0.0149081300000000, -0.0003810700000000 ] - [ 0.0001897600000000, 0.0010096900000000, -0.0001053100000000 ] - [ -0.0001905600000000, -0.0009687900000000, -0.0006935900000000 ] - [ 0.0043507100000000, -0.0091245400000000, -0.0057851400000000 ] - [ 0.0007073900000000, 0.0007106500000000, -0.0000142400000000 ] - [ -0.0001077100000000, -0.0004144000000000, 0.0001055000000000 ] - [ 0.0006128800000000, -0.0011028800000000, 0.0013320100000000 ] - [ 0.0006345500000000, 0.0004184300000000, -0.0000322700000000 ] - [ 0.0003752500000000, 0.0004773400000000, -0.0002512500000000 ] - [ -0.0005410000000000, 0.0005559200000000, -0.0005501400000000 ] - [ -0.0014652000000000, 0.0006918700000000, 0.0001642900000000 ] - [ 0.0003208100000000, -0.0000241600000000, 0.0000335500000000 ] - [ 0.0093205000000000, -0.0036429700000000, 0.0000284800000000 ] - [ -0.0009213800000000, 0.0027023600000000, -0.0001628800000000 ] - [ 0.0004201600000000, 0.0003031800000000, 0.0004247100000000 ] - [ -0.0006602000000000, 0.0001491000000000, 0.0000162000000000 ] - [ -0.0004456300000000, 0.0008185700000000, 0.0000047900000000 ] - [ 0.0011175100000000, -0.0010530700000000, 0.0020464900000000 ] - [ 0.0005709800000000, -0.0002373700000000, -0.0002187000000000 ] - [ 0.0000818100000000, 0.0024146600000000, -0.0019081300000000 ] - [ -0.0005899600000000, -0.0001884400000000, 0.0001826700000000 ] - [ -0.0000439500000000, -0.0000852300000000, 0.0003207700000000 ] - [ 0.0000293300000000, 0.0006115400000000, -0.0001470900000000 ] - [ -0.0000398700000000, 0.0003371400000000, 0.0003300700000000 ] - [ -0.0005706400000000, -0.0001058600000000, -0.0002114300000000 ] - [ 0.0003535600000000, -0.0025376000000000, -0.0003946900000000 ] - [ 0.0000034100000000, 0.0002238800000000, 0.0000016800000000 ] - [ -0.0004835600000000, 0.0001946600000000, -0.0001133000000000 ] - [ 0.0001181500000000, 0.0002665900000000, 0.0004183200000000 ] - [ -0.0003108700000000, 0.0005119900000000, -0.0000975200000000 ] - [ -0.0002982200000000, 0.0003249900000000, 0.0000595800000000 ] - [ 0.0002989600000000, 0.0009023100000000, 0.0015674600000000 ] - [ -0.0003189900000000, 0.0001238700000000, -0.0000417100000000 ] - [ -0.0004424800000000, -0.0001793200000000, -0.0002666000000000 ] - [ 0.0001654200000000, -0.0000691200000000, -0.0001136000000000 ] - [ -0.0005865300000000, 0.0006747500000000, -0.0004688000000000 ] - [ -0.0004595800000000, 0.0003054600000000, 0.0002947900000000 ] - [ 0.0001669400000000, 0.0001776500000000, -0.0002236400000000 ] - [ -0.0005596200000000, -0.0003527200000000, 0.0000083900000000 ] - [ 0.0002947800000000, 0.0002737600000000, -0.0000158600000000 ] - [ 0.0002462000000000, -0.0037963600000000, 0.0001625100000000 ] - [ -0.0007701500000000, 0.0000893700000000, -0.0003415900000000 ] - [ -0.0003931600000000, 0.0009202600000000, 0.0001158200000000 ] - [ 0.0003135600000000, 0.0013185600000000, -0.0006570000000000 ] - [ 0.0010336900000000, 0.0002195800000000, 0.0002671700000000 ] - [ -0.0019452300000000, -0.0017327600000000, 0.0019729900000000 ] - [ 0.0007831200000000, -0.0011849300000000, 0.0007691400000000 ] - [ 0.0054603700000000, -0.0094874000000000, 0.0085586700000000 ] - [ -0.0004979700000000, 0.0006737500000000, -0.0001326800000000 ] - [ -0.0002995900000000, -0.0000183600000000, -0.0000492500000000 ] - [ 0.0024029000000000, 0.0002843300000000, 0.0011570600000000 ] - [ -0.0004619800000000, 0.0003649300000000, -0.0001403000000000 ] - [ -0.0005662900000000, 0.0001018000000000, 0.0002625800000000 ] - [ 0.0019428900000000, -0.0000046300000000, -0.0015015000000000 ] - [ -0.0002262100000000, 0.0004277000000000, 0.0000093000000000 ] - [ -0.0002654700000000, -0.0001167000000000, -0.0000763000000000 ] - [ -0.0024309400000000, 0.0006939600000000, -0.0004825300000000 ] - [ 0.0005253400000000, 0.0004207300000000, -0.0001109100000000 ] - [ -0.0015541300000000, 0.0007057100000000, 0.0008410400000000 ] - [ -0.0004930600000000, -0.0004495700000000, -0.0003303400000000 ] - [ 0.0002560900000000, 0.0001886700000000, 0.0002189900000000 ] - [ -0.0003226000000000, -0.0000919500000000, 0.0002917700000000 ] - [ 0.0021410000000000, -0.0035401100000000, -0.0035591400000000 ] - [ 0.0018680500000000, 0.0007591400000000, 0.0039263200000000 ] - [ -0.0005505500000000, -0.0001073800000000, -0.0000094900000000 ] - [ 0.0004310400000000, -0.0001248100000000, -0.0000339200000000 ] - [ 0.0003615600000000, -0.0013224100000000, -0.0000327000000000 ] - [ 0.0007272000000000, -0.0057054900000000, 0.0001496500000000 ] - [ -0.0003580500000000, -0.0002710700000000, -0.0000082200000000 ] - [ 0.0003870100000000, -0.0005498800000000, -0.0000685700000000 ] - [ 0.0004775300000000, -0.0001323600000000, 0.0002727900000000 ] - [ -0.0001776000000000, -0.0004095500000000, 0.0000431900000000 ] - [ 0.0001289600000000, 0.0008437100000000, 0.0007703500000000 ] - [ 0.0006581000000000, 0.0001956200000000, 0.0001215500000000 ] - [ 0.0009035100000000, 0.0000343000000000, 0.0000816200000000 ] - [ -0.0004915700000000, -0.0009194800000000, -0.0000428300000000 ] - [ 0.0020978900000000, 0.0013846500000000, 0.0001052600000000 ] - [ -0.0032364100000000, 0.0046719400000000, 0.0007799500000000 ] - [ 0.0001962300000000, 0.0006572400000000, -0.0006284800000000 ] - [ -0.0006439500000000, -0.0012480000000000, 0.0001450300000000 ] - [ -0.0004523300000000, -0.0016009200000000, -0.0001172600000000 ] - [ -0.0044064700000000, 0.0076980000000000, -0.0020178400000000 ] - [ 0.0000325200000000, 0.0004803300000000, 0.0002724700000000 ] - [ -0.0006989600000000, -0.0012051200000000, 0.0009680200000000 ] - [ 0.0015712900000000, -0.0015207700000000, -0.0000010300000000 ] - [ 0.0019538800000000, -0.0011162800000000, 0.0002905300000000 ] - [ -0.0010290700000000, -0.0003919300000000, -0.0023924100000000 ] - [ 0.0006206100000000, 0.0001249400000000, -0.0000381100000000 ] - [ 0.0006024000000000, -0.0015446600000000, 0.0000584000000000 ] - [ 0.0003072600000000, -0.0002615900000000, -0.0000757100000000 ] - [ -0.0000097800000000, -0.0002218700000000, 0.0000531200000000 ] - [ 0.0010089900000000, 0.0006251200000000, 0.0005076400000000 ] - [ 0.0012096400000000, 0.0003857700000000, -0.0002546200000000 ] - [ -0.0003485200000000, -0.0006586900000000, 0.0000223700000000 ] - [ -0.0083020100000000, 0.0040168600000000, 0.0000709700000000 ] - [ 0.0053524900000000, -0.0094223900000000, 0.0058734200000000 ] - [ 0.0048248900000000, 0.0004154000000000, -0.0069731200000000 ] - [ -0.0013145500000000, 0.0000863700000000, 0.0002687900000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000644700000000, 0.0000327200000000, 0.0000946000000000 ] - [ -0.0021360400000000, 0.0026080300000000, -0.0548800600000000 ] - [ -0.0000955100000000, -0.0002193400000000, -0.0003521500000000 ] - [ -0.0000526300000000, -0.0002092100000000, -0.0003528900000000 ] - [ -0.0000250100000000, -0.0000328200000000, 0.0001196800000000 ] - [ -0.0007250500000000, 0.0000246700000000, -0.0001167500000000 ] - [ -0.0001541100000000, 0.0005951400000000, 0.0012189600000000 ] - [ -0.0001171100000000, 0.0000896600000000, 0.0000552300000000 ] - [ -0.0001076600000000, -0.0001333100000000, 0.0000973800000000 ] - [ 0.0004644800000000, -0.0008688000000000, 0.0003004500000000 ] - [ 0.0003641000000000, -0.0000356000000000, 0.0011791300000000 ] - [ 0.0000660600000000, 0.0000135500000000, 0.0001115200000000 ] - [ 0.0000177800000000, 0.0000882300000000, -0.0001227200000000 ] - [ -0.0001855000000000, 0.0000151300000000, -0.0000543600000000 ] - [ 0.0003617100000000, 0.0001367000000000, 0.0001971700000000 ] - [ 0.0001579100000000, 0.0000264700000000, -0.0000103000000000 ] - [ 0.0003640900000000, -0.0004058000000000, -0.0000832200000000 ] - [ -0.0000728900000000, 0.0001353900000000, -0.0001162000000000 ] - [ -0.0003453100000000, -0.0017092900000000, -0.0006651700000000 ] - [ -0.0024295000000000, 0.0009183800000000, -0.0021779400000000 ] - [ -0.0001052200000000, -0.0001129800000000, -0.0000185300000000 ] - [ -0.0000427400000000, -0.0001985600000000, -0.0001913000000000 ] - [ 0.0010920100000000, -0.0002260200000000, -0.0010837700000000 ] - [ -0.0001870700000000, 0.0001914900000000, -0.0002479600000000 ] - [ -0.0005349400000000, 0.0004503700000000, 0.0006088900000000 ] - [ -0.0001697300000000, -0.0001779700000000, 0.0004447900000000 ] - [ 0.0001107700000000, -0.0001306100000000, -0.0000062800000000 ] - [ 0.0000983200000000, 0.0001731900000000, 0.0003625500000000 ] - [ 0.0001946900000000, 0.0005390800000000, 0.0029023800000000 ] - [ 0.0001121300000000, 0.0003480200000000, -0.0000107100000000 ] - [ -0.0002255700000000, -0.0004250400000000, 0.0001190400000000 ] - [ -0.0029441000000000, 0.0054520700000000, 0.0147203300000000 ] - [ -0.0000516200000000, 0.0000455100000000, 0.0001163100000000 ] - [ -0.0002567800000000, -0.0002842200000000, -0.0004068300000000 ] - [ 0.0000417600000000, -0.0002233800000000, -0.0060071300000000 ] - [ 0.0000384400000000, -0.0000350300000000, -0.0006394600000000 ] - [ -0.0000459700000000, 0.0001412500000000, -0.0000724400000000 ] - [ -0.0000841400000000, 0.0000143400000000, 0.0002060500000000 ] - [ 0.0009683400000000, -0.0010248800000000, 0.0002525500000000 ] - [ 0.0000357000000000, 0.0000735300000000, 0.0002695700000000 ] - [ 0.0002908800000000, 0.0000196400000000, 0.0053142800000000 ] - [ 0.0000477200000000, 0.0016255600000000, 0.0033545200000000 ] - [ -0.0001079500000000, -0.0005260100000000, -0.0001167200000000 ] - [ -0.0001719700000000, 0.0000504400000000, -0.0000946000000000 ] - [ -0.0000382100000000, 0.0000799800000000, -0.0000882600000000 ] - [ 0.0018095500000000, -0.0005651600000000, -0.0007402700000000 ] - [ 0.0003335500000000, 0.0001371100000000, -0.0002335000000000 ] - [ 0.0001022800000000, 0.0033830800000000, -0.0020774000000000 ] - [ 0.0000962200000000, -0.0002046000000000, -0.0000222500000000 ] - [ 0.0000865800000000, 0.0003339300000000, -0.0000270400000000 ] - [ 0.0001185700000000, -0.0006186100000000, -0.0001607200000000 ] - [ 0.0001152000000000, 0.0000879700000000, 0.0002241400000000 ] - [ -0.0003234700000000, -0.0000096000000000, -0.0001759300000000 ] - [ 0.0010263800000000, 0.0026916400000000, -0.0023809300000000 ] - [ 0.0000782300000000, -0.0002278000000000, -0.0002558500000000 ] - [ -0.0003377200000000, -0.0000101600000000, -0.0001472200000000 ] - [ 0.0004071300000000, 0.0002395500000000, -0.0007915600000000 ] - [ -0.0001625400000000, 0.0000865300000000, 0.0000596000000000 ] - [ -0.0001308300000000, 0.0001330400000000, 0.0000880900000000 ] - [ 0.0002803600000000, -0.0006084200000000, 0.0000996200000000 ] - [ -0.0001446200000000, 0.0001674000000000, -0.0003483900000000 ] - [ 0.0002104100000000, -0.0002296400000000, -0.0006985700000000 ] - [ -0.0001134000000000, -0.0000516400000000, -0.0001761900000000 ] - [ -0.0001866300000000, 0.0001336000000000, -0.0001518400000000 ] - [ 0.0002252600000000, -0.0001221700000000, -0.0001363000000000 ] - [ 0.0000606100000000, 0.0002389400000000, 0.0000408100000000 ] - [ 0.0000417300000000, 0.0000092000000000, 0.0002092500000000 ] - [ 0.0000383200000000, 0.0000494500000000, 0.0001232800000000 ] - [ 0.0001015500000000, -0.0003836400000000, 0.0013421500000000 ] - [ 0.0000836100000000, -0.0002932700000000, 0.0002224400000000 ] - [ 0.0000365400000000, 0.0002422400000000, 0.0001387200000000 ] - [ -0.0001709100000000, 0.0001331000000000, -0.0000536700000000 ] - [ 0.0004258900000000, 0.0000645600000000, 0.0003707900000000 ] - [ 0.0002254900000000, 0.0002006900000000, 0.0004715700000000 ] - [ 0.0002639700000000, -0.0017476900000000, -0.0014331600000000 ] - [ 0.0047816300000000, -0.0067972800000000, 0.0176783300000000 ] - [ -0.0002920300000000, 0.0003736800000000, -0.0001984100000000 ] - [ 0.0000739400000000, 0.0001889800000000, -0.0001607500000000 ] - [ 0.0005147700000000, -0.0000800600000000, 0.0005123700000000 ] - [ -0.0002307400000000, -0.0000356800000000, 0.0000516100000000 ] - [ -0.0001660100000000, 0.0001871600000000, 0.0001741400000000 ] - [ -0.0003249600000000, -0.0003282100000000, 0.0009457700000000 ] - [ -0.0001441300000000, 0.0001727400000000, 0.0001324400000000 ] - [ 0.0002891200000000, 0.0000528200000000, 0.0001998500000000 ] - [ -0.0030923400000000, 0.0017225800000000, 0.0002392300000000 ] - [ 0.0002328900000000, 0.0001035300000000, -0.0001124400000000 ] - [ 0.0002412800000000, -0.0003759400000000, 0.0000816700000000 ] - [ -0.0005109300000000, -0.0000181100000000, -0.0009764000000000 ] - [ 0.0002031300000000, 0.0001015000000000, -0.0000593600000000 ] - [ -0.0000045300000000, -0.0001021500000000, -0.0000926200000000 ] - [ -0.0024610200000000, 0.0059891300000000, -0.0018266800000000 ] - [ 0.0034678100000000, -0.0005568600000000, -0.0017359400000000 ] - [ 0.0003009000000000, 0.0001275200000000, -0.0001431400000000 ] - [ -0.0001132700000000, 0.0000318900000000, -0.0000806600000000 ] - [ 0.0000930200000000, -0.0003106900000000, -0.0002735000000000 ] - [ 0.0001485100000000, -0.0000474500000000, -0.0015162200000000 ] - [ -0.0000553200000000, 0.0000896600000000, 0.0003490400000000 ] - [ 0.0000597200000000, -0.0000989900000000, 0.0003414300000000 ] - [ 0.0000978700000000, -0.0000203500000000, 0.0003456600000000 ] - [ -0.0001299400000000, 0.0001894200000000, 0.0000419600000000 ] - [ -0.0018442300000000, -0.0010186800000000, 0.0002401800000000 ] - [ 0.0001367500000000, 0.0000654500000000, 0.0000285100000000 ] - [ -0.0004042000000000, 0.0001291300000000, 0.0000807400000000 ] - [ 0.0000049900000000, -0.0003141200000000, 0.0000896700000000 ] - [ 0.0017545200000000, 0.0011005000000000, -0.0001459500000000 ] - [ -0.0007095900000000, 0.0010627900000000, 0.0097381100000000 ] - [ -0.0002086500000000, -0.0002465700000000, 0.0003784300000000 ] - [ -0.0005861400000000, -0.0009126000000000, 0.0004037700000000 ] - [ 0.0010227300000000, 0.0011421400000000, 0.0001360600000000 ] - [ 0.0014125700000000, -0.0033159100000000, 0.0180696300000000 ] - [ 0.0004029400000000, 0.0001019600000000, 0.0002713200000000 ] - [ -0.0002664600000000, -0.0003048300000000, -0.0001602400000000 ] - [ -0.0002283400000000, 0.0006354300000000, -0.0002196800000000 ] - [ 0.0008647800000000, -0.0001142600000000, -0.0000962400000000 ] - [ -0.0006537900000000, 0.0017931700000000, 0.0009402000000000 ] - [ 0.0000399600000000, 0.0001359500000000, -0.0000626600000000 ] - [ 0.0001994700000000, -0.0004811000000000, 0.0001646500000000 ] - [ -0.0001273700000000, -0.0000939200000000, 0.0003199200000000 ] - [ 0.0000407300000000, -0.0003735500000000, 0.0002168400000000 ] - [ -0.0002495700000000, 0.0005107700000000, 0.0020613600000000 ] - [ 0.0002515100000000, -0.0000432500000000, -0.0004942100000000 ] - [ -0.0001708700000000, 0.0000476600000000, -0.0002767500000000 ] - [ -0.0002055100000000, 0.0000832900000000, -0.0018075300000000 ] - [ 0.0038469300000000, -0.0110367600000000, -0.0012732800000000 ] - [ -0.0048725200000000, 0.0006009300000000, -0.0000091500000000 ] - [ -0.0005063900000000, 0.0001182000000000, -0.0000203400000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000963600000000, 0.0000200200000000, 0.0001983900000000 ] - [ 0.0025666500000000, -0.0038116000000000, 0.0543908500000000 ] - [ -0.0000028700000000, -0.0001165700000000, 0.0001240200000000 ] - [ 0.0003453200000000, 0.0002693400000000, 0.0001232700000000 ] - [ 0.0000677000000000, 0.0000300800000000, 0.0001711100000000 ] - [ 0.0007932500000000, 0.0000628400000000, 0.0004124800000000 ] - [ 0.0001482600000000, -0.0004680200000000, -0.0012175900000000 ] - [ -0.0000962100000000, 0.0000623900000000, -0.0000149500000000 ] - [ 0.0000042100000000, -0.0001381500000000, -0.0000613000000000 ] - [ -0.0002218800000000, 0.0008786800000000, -0.0002691700000000 ] - [ -0.0003930600000000, 0.0000152400000000, -0.0011794600000000 ] - [ 0.0000504100000000, 0.0000138200000000, -0.0001096200000000 ] - [ -0.0000389200000000, 0.0000449600000000, 0.0000730000000000 ] - [ -0.0000519600000000, 0.0001587000000000, -0.0001251000000000 ] - [ -0.0004771200000000, -0.0004429100000000, -0.0003724300000000 ] - [ 0.0001137700000000, 0.0000040200000000, -0.0001685700000000 ] - [ -0.0003975700000000, 0.0003660100000000, 0.0000267800000000 ] - [ 0.0002034600000000, -0.0000941800000000, 0.0000722500000000 ] - [ 0.0004153000000000, 0.0017141400000000, 0.0007479100000000 ] - [ 0.0023758900000000, -0.0008655000000000, 0.0022379400000000 ] - [ 0.0000784800000000, 0.0000505100000000, 0.0000959200000000 ] - [ -0.0000677300000000, -0.0002474700000000, -0.0001528400000000 ] - [ -0.0006414100000000, 0.0003481100000000, 0.0007326900000000 ] - [ -0.0001480300000000, 0.0001246700000000, -0.0001020000000000 ] - [ 0.0006000200000000, -0.0007448700000000, -0.0000427200000000 ] - [ -0.0001160300000000, 0.0002708600000000, 0.0001245400000000 ] - [ 0.0001342000000000, -0.0002365800000000, -0.0002231200000000 ] - [ 0.0001327200000000, 0.0000154500000000, 0.0001980700000000 ] - [ -0.0005454500000000, -0.0003919800000000, -0.0031165200000000 ] - [ 0.0000779200000000, 0.0000463700000000, -0.0002182400000000 ] - [ 0.0005837900000000, -0.0000161600000000, -0.0001883100000000 ] - [ 0.0021118700000000, -0.0050346400000000, -0.0137233000000000 ] - [ 0.0002546800000000, 0.0004824100000000, -0.0001838100000000 ] - [ 0.0000854300000000, -0.0001198200000000, 0.0003889300000000 ] - [ -0.0002813900000000, 0.0005097600000000, 0.0060093800000000 ] - [ 0.0003272300000000, 0.0000980100000000, 0.0006117000000000 ] - [ -0.0000765800000000, 0.0000776400000000, -0.0001909600000000 ] - [ 0.0003443900000000, -0.0000274300000000, -0.0004689000000000 ] - [ -0.0010871800000000, 0.0007344600000000, -0.0005190700000000 ] - [ -0.0001302300000000, 0.0000497100000000, -0.0001890300000000 ] - [ -0.0001998700000000, 0.0000167100000000, -0.0052445400000000 ] - [ -0.0000837200000000, -0.0017404800000000, -0.0032711200000000 ] - [ 0.0001568800000000, 0.0005467500000000, 0.0001807700000000 ] - [ 0.0001433200000000, -0.0000213800000000, 0.0001490000000000 ] - [ 0.0000277900000000, -0.0001253200000000, 0.0001461300000000 ] - [ -0.0019296700000000, 0.0001181400000000, 0.0003899500000000 ] - [ 0.0001054000000000, 0.0000025200000000, -0.0001088100000000 ] - [ -0.0004423100000000, -0.0030723800000000, 0.0017333400000000 ] - [ -0.0000300400000000, -0.0000816300000000, 0.0006069500000000 ] - [ -0.0003604900000000, -0.0002420100000000, 0.0006193400000000 ] - [ 0.0001306200000000, 0.0002564600000000, -0.0000964400000000 ] - [ 0.0001054200000000, 0.0000980000000000, 0.0003586600000000 ] - [ -0.0000629700000000, 0.0000222500000000, -0.0000776600000000 ] - [ -0.0008329300000000, -0.0022859200000000, 0.0021087400000000 ] - [ 0.0002524700000000, -0.0002408700000000, 0.0001970300000000 ] - [ -0.0002445700000000, -0.0000228400000000, 0.0000819500000000 ] - [ -0.0001740100000000, 0.0002846800000000, 0.0007389900000000 ] - [ -0.0000097300000000, -0.0004928600000000, -0.0000025700000000 ] - [ -0.0001200600000000, 0.0001705200000000, -0.0000331900000000 ] - [ 0.0000853300000000, 0.0006751100000000, -0.0000657000000000 ] - [ 0.0000243200000000, 0.0000669300000000, 0.0001189800000000 ] - [ 0.0000585200000000, 0.0002055600000000, 0.0004678600000000 ] - [ -0.0000228500000000, -0.0002365100000000, -0.0000551500000000 ] - [ 0.0000778800000000, -0.0000288400000000, 0.0002246100000000 ] - [ -0.0000733500000000, 0.0001630900000000, 0.0002052100000000 ] - [ -0.0000716700000000, -0.0003483600000000, 0.0000423600000000 ] - [ 0.0000080400000000, 0.0000059100000000, -0.0000715100000000 ] - [ -0.0000737400000000, -0.0000204200000000, 0.0000052400000000 ] - [ -0.0001302800000000, 0.0003437300000000, -0.0012132700000000 ] - [ -0.0001731600000000, -0.0001490300000000, -0.0005724400000000 ] - [ 0.0003954300000000, -0.0001032600000000, -0.0004932800000000 ] - [ -0.0001706400000000, 0.0001547000000000, -0.0002975900000000 ] - [ -0.0003757100000000, -0.0003492600000000, 0.0001676500000000 ] - [ -0.0004861400000000, -0.0000913600000000, 0.0000576100000000 ] - [ -0.0000189100000000, 0.0014161700000000, 0.0012337300000000 ] - [ -0.0049570900000000, 0.0076220600000000, -0.0179706100000000 ] - [ -0.0001011700000000, -0.0003621100000000, -0.0000027000000000 ] - [ 0.0001051600000000, 0.0002069800000000, -0.0000435700000000 ] - [ -0.0001870000000000, -0.0003793900000000, -0.0005338700000000 ] - [ -0.0003414400000000, -0.0000168800000000, -0.0000629600000000 ] - [ 0.0003852900000000, 0.0003331000000000, -0.0001740100000000 ] - [ 0.0001469900000000, -0.0000644800000000, -0.0009056900000000 ] - [ -0.0000941200000000, 0.0001152800000000, -0.0001156800000000 ] - [ 0.0000621200000000, 0.0000075900000000, -0.0001903300000000 ] - [ 0.0029760000000000, -0.0014902700000000, -0.0005018400000000 ] - [ 0.0000400700000000, -0.0001236300000000, -0.0001554400000000 ] - [ -0.0003667500000000, 0.0000692500000000, -0.0003636700000000 ] - [ 0.0004079200000000, 0.0001286300000000, 0.0010928800000000 ] - [ -0.0000483600000000, -0.0000656800000000, 0.0001718300000000 ] - [ -0.0000135100000000, -0.0000095400000000, 0.0002181300000000 ] - [ 0.0021297500000000, -0.0057542000000000, 0.0019061400000000 ] - [ -0.0035037900000000, 0.0001568600000000, 0.0017898000000000 ] - [ 0.0000577000000000, 0.0000266100000000, 0.0002311000000000 ] - [ -0.0000657400000000, 0.0001248600000000, 0.0001392800000000 ] - [ -0.0001363000000000, 0.0000831200000000, 0.0003307400000000 ] - [ 0.0000707100000000, 0.0001589300000000, 0.0015684100000000 ] - [ -0.0002619600000000, 0.0000871200000000, -0.0002889800000000 ] - [ -0.0000838000000000, -0.0002687400000000, -0.0002791800000000 ] - [ 0.0002200500000000, 0.0001883900000000, -0.0002839100000000 ] - [ -0.0001345100000000, -0.0000225100000000, 0.0000284100000000 ] - [ 0.0018174000000000, 0.0007023800000000, -0.0001787200000000 ] - [ 0.0001470500000000, 0.0000912900000000, 0.0000352600000000 ] - [ 0.0000692500000000, 0.0000516700000000, 0.0000373400000000 ] - [ -0.0000179400000000, -0.0000631700000000, 0.0000284300000000 ] - [ -0.0014317800000000, -0.0009259000000000, 0.0002732400000000 ] - [ 0.0004689000000000, -0.0008933200000000, -0.0098245300000000 ] - [ 0.0001937700000000, -0.0000361700000000, -0.0003605300000000 ] - [ 0.0008499300000000, 0.0010509400000000, -0.0003945500000000 ] - [ -0.0006418700000000, -0.0011094200000000, -0.0003603100000000 ] - [ -0.0016595300000000, 0.0036740400000000, -0.0181198400000000 ] - [ -0.0005788400000000, -0.0004386000000000, -0.0005037700000000 ] - [ -0.0001387300000000, 0.0000205800000000, 0.0003473400000000 ] - [ 0.0006557400000000, -0.0008203000000000, 0.0004244300000000 ] - [ -0.0009149300000000, 0.0006138200000000, 0.0002967600000000 ] - [ 0.0010593900000000, -0.0017920700000000, -0.0011535600000000 ] - [ -0.0002569100000000, 0.0001612000000000, -0.0001589800000000 ] - [ -0.0003630000000000, 0.0001359500000000, -0.0003942800000000 ] - [ -0.0002701100000000, -0.0001518800000000, -0.0000684700000000 ] - [ 0.0003486300000000, 0.0001683300000000, 0.0000439100000000 ] - [ 0.0002280500000000, -0.0000341000000000, -0.0017999000000000 ] - [ 0.0001413500000000, 0.0000705200000000, 0.0003335400000000 ] - [ -0.0000475600000000, 0.0002614300000000, 0.0001168400000000 ] - [ 0.0000827100000000, -0.0004199800000000, 0.0016386300000000 ] - [ -0.0042561000000000, 0.0107881100000000, 0.0014599900000000 ] - [ 0.0052947100000000, -0.0008000800000000, 0.0003079200000000 ] - [ 0.0004846600000000, 0.0003565600000000, 0.0002364100000000 ]- atom: 19 displacement: [ 0.0100000000000000, -0.0000000000071070, 0.0000000000000000 ] forces: - [ 0.0000459000000000, -0.0001634100000000, 0.0001913000000000 ] - [ 0.0002069500000000, -0.0002345300000000, -0.0004938200000000 ] - [ -0.0005645000000000, 0.0003361700000000, 0.0000034700000000 ] - [ 0.0027889600000000, 0.0006783000000000, 0.0018627500000000 ] - [ -0.0004621600000000, -0.0010610800000000, 0.0003530000000000 ] - [ -0.0004727800000000, -0.0013815200000000, -0.0000514900000000 ] - [ 0.0051284600000000, 0.0033583900000000, -0.0035876300000000 ] - [ -0.0011919200000000, 0.0001252900000000, 0.0000369900000000 ] - [ 0.0000391900000000, 0.0034354600000000, 0.0002747300000000 ] - [ 0.0000526000000000, -0.0002897100000000, 0.0000191400000000 ] - [ 0.0002136500000000, 0.0003349900000000, 0.0000388100000000 ] - [ -0.0029272700000000, 0.0004800000000000, -0.0003534100000000 ] - [ -0.0004928800000000, 0.0000681600000000, 0.0000442900000000 ] - [ 0.0003253200000000, -0.0001129200000000, -0.0002211200000000 ] - [ -0.0000860700000000, -0.0007219700000000, -0.0001613700000000 ] - [ -0.0003017700000000, -0.0000359000000000, 0.0000198700000000 ] - [ -0.0000692700000000, 0.0000802100000000, -0.0004142100000000 ] - [ 0.0000564400000000, 0.0002044800000000, -0.0000206600000000 ] - [ -0.1338736300000000, -0.1438229200000000, -0.0144873000000000 ] - [ -0.0013206600000000, -0.0000621900000000, -0.0001721800000000 ] - [ 0.0022392500000000, -0.0019910600000000, 0.0003167300000000 ] - [ 0.0001272000000000, 0.0010226100000000, 0.0000740700000000 ] - [ 0.0003118000000000, 0.0015208600000000, -0.0000611600000000 ] - [ 0.0000952900000000, 0.0004280100000000, -0.0002545500000000 ] - [ 0.0001730200000000, -0.0001727600000000, 0.0003069600000000 ] - [ 0.0026176800000000, -0.0028928300000000, 0.0030664000000000 ] - [ 0.0009432600000000, -0.0002411400000000, -0.0000932000000000 ] - [ 0.0013630900000000, -0.0005350700000000, 0.0000785900000000 ] - [ -0.0001050600000000, 0.0005453700000000, 0.0000053800000000 ] - [ -0.0014903500000000, 0.0000487400000000, -0.0004456700000000 ] - [ 0.0003958800000000, -0.0011738900000000, -0.0003225300000000 ] - [ -0.0027765500000000, 0.0036155400000000, 0.0003599000000000 ] - [ 0.0105253200000000, 0.0101511800000000, -0.0098776800000000 ] - [ 0.0003204700000000, -0.0009545000000000, 0.0002388200000000 ] - [ -0.0016042300000000, 0.0008686400000000, -0.0007870500000000 ] - [ 0.0077950800000000, 0.0105181100000000, 0.0114394100000000 ] - [ 0.0026084600000000, 0.0011561600000000, -0.0002567500000000 ] - [ -0.0000313600000000, -0.0003550200000000, -0.0001501800000000 ] - [ 0.0085663700000000, 0.0010044500000000, 0.0032827700000000 ] - [ 0.0010236200000000, -0.0003585700000000, -0.0010623000000000 ] - [ -0.0002864700000000, -0.0001270500000000, 0.0001242000000000 ] - [ -0.0010730900000000, 0.0002989300000000, 0.0023531300000000 ] - [ 0.0004982300000000, 0.0004278500000000, 0.0001525100000000 ] - [ 0.0013865000000000, -0.0001598000000000, -0.0003224700000000 ] - [ -0.0004566200000000, -0.0008991700000000, -0.0002989200000000 ] - [ -0.0004933300000000, -0.0003439500000000, -0.0002446900000000 ] - [ 0.0012113500000000, -0.0005120000000000, 0.0000708400000000 ] - [ -0.0021109900000000, -0.0011904000000000, 0.0005189100000000 ] - [ 0.0015254200000000, 0.0004326500000000, 0.0004100100000000 ] - [ 0.0006257800000000, 0.0014341100000000, 0.0001609800000000 ] - [ -0.0086104800000000, -0.0003624000000000, -0.0005225600000000 ] - [ -0.0003406500000000, 0.0007223400000000, 0.0004899000000000 ] - [ 0.0014472200000000, -0.0004569300000000, -0.0001746600000000 ] - [ 0.0001306300000000, 0.0011449500000000, -0.0003787400000000 ] - [ 0.0003883100000000, -0.0028477600000000, -0.0027550700000000 ] - [ 0.0005678500000000, -0.0003726300000000, 0.0002035900000000 ] - [ 0.0002320300000000, 0.0003375600000000, -0.0001080900000000 ] - [ -0.0008043700000000, -0.0009025600000000, 0.0000737000000000 ] - [ 0.0007072800000000, -0.0000997400000000, 0.0000928000000000 ] - [ 0.0002965500000000, 0.0001201100000000, 0.0000176800000000 ] - [ -0.0003016500000000, -0.0000091700000000, -0.0001366700000000 ] - [ 0.0029397600000000, 0.0031372700000000, -0.0018491200000000 ] - [ 0.0014945500000000, 0.0011138200000000, 0.0000473900000000 ] - [ -0.0002535500000000, -0.0004390000000000, -0.0000389300000000 ] - [ 0.0018471300000000, -0.0004078300000000, -0.0006976900000000 ] - [ 0.0007931400000000, 0.0002328600000000, 0.0002159900000000 ] - [ 0.0004978900000000, 0.0004585700000000, 0.0001828400000000 ] - [ -0.0006112100000000, 0.0008146800000000, -0.0003606500000000 ] - [ -0.0001562600000000, 0.0010499400000000, 0.0002121500000000 ] - [ 0.0023013400000000, -0.0007320100000000, 0.0014319500000000 ] - [ 0.0001244200000000, -0.0006747600000000, -0.0002023500000000 ] - [ 0.0006001400000000, 0.0005481300000000, -0.0005820400000000 ] - [ 0.0000582800000000, -0.0002829900000000, 0.0006262200000000 ] - [ -0.0002778700000000, -0.0005816200000000, 0.0003637700000000 ] - [ 0.0000597600000000, 0.0003221100000000, -0.0001722700000000 ] - [ -0.0002510900000000, 0.0004976700000000, 0.0006166300000000 ] - [ -0.0031162100000000, -0.0000033700000000, 0.0001472700000000 ] - [ 0.0010059800000000, 0.0003225400000000, -0.0000372000000000 ] - [ 0.0005650700000000, 0.0006729600000000, 0.0003400200000000 ] - [ -0.0007040100000000, 0.0003276700000000, -0.0002658400000000 ] - [ 0.0006571300000000, 0.0004176900000000, -0.0000754300000000 ] - [ 0.0001602700000000, 0.0005902900000000, -0.0000608200000000 ] - [ -0.0004728400000000, 0.0004809000000000, -0.0002468500000000 ] - [ 0.0012658400000000, 0.0004650700000000, 0.0002237000000000 ] - [ -0.0006531400000000, 0.0001800000000000, 0.0002420700000000 ] - [ 0.0006510600000000, 0.0006044100000000, -0.0001969500000000 ] - [ -0.0001592200000000, -0.0003265500000000, -0.0001153300000000 ] - [ -0.0000235700000000, 0.0012692000000000, -0.0006147900000000 ] - [ 0.0003628800000000, 0.0009758000000000, 0.0004322800000000 ] - [ 0.0001220000000000, 0.0001836100000000, 0.0001134100000000 ] - [ 0.0079959000000000, 0.0081090200000000, 0.0147453400000000 ] - [ 0.0005258000000000, 0.0004669200000000, -0.0000253400000000 ] - [ -0.0064177700000000, 0.0009794000000000, 0.0007555600000000 ] - [ -0.0019917400000000, 0.0004295500000000, 0.0000510600000000 ] - [ 0.0016006500000000, 0.0018820300000000, -0.0014473100000000 ] - [ -0.0000984700000000, -0.0003659200000000, -0.0000117700000000 ] - [ -0.0014377200000000, 0.0001393900000000, -0.0001865700000000 ] - [ -0.0024083900000000, 0.0004229300000000, 0.0017866300000000 ] - [ 0.0002221100000000, 0.0005442400000000, -0.0000185500000000 ] - [ 0.0004737700000000, -0.0014696700000000, -0.0000170700000000 ] - [ -0.0002619500000000, -0.0015850300000000, 0.0002437200000000 ] - [ -0.0011733700000000, 0.0000252300000000, -0.0000609000000000 ] - [ -0.0001036300000000, -0.0002517400000000, -0.0000545400000000 ] - [ -0.0004691200000000, -0.0011844300000000, -0.0001843700000000 ] - [ -0.0001675200000000, -0.0004088600000000, 0.0002757500000000 ] - [ 0.0005275900000000, -0.0003207800000000, 0.0002593900000000 ] - [ -0.0009143700000000, 0.0006819100000000, -0.0002861700000000 ] - [ 0.0051335600000000, 0.0008891000000000, -0.0050838700000000 ] - [ 0.1077303000000000, 0.1029027800000000, -0.0007338500000000 ] - [ 0.0022821500000000, -0.0015177400000000, 0.0016800000000000 ] - [ -0.0025511300000000, 0.0025099700000000, 0.0000956400000000 ] - [ -0.0029842100000000, -0.0000186300000000, 0.0002808500000000 ] - [ -0.0067013500000000, 0.0031371500000000, -0.0015626600000000 ] - [ 0.0000322400000000, 0.0010162500000000, 0.0003312300000000 ] - [ -0.0000290600000000, -0.0006400900000000, -0.0000061300000000 ] - [ -0.0022005700000000, 0.0002427800000000, -0.0003769700000000 ] - [ 0.0033430600000000, 0.0025272700000000, 0.0020573200000000 ] - [ 0.0000648100000000, -0.0007435600000000, 0.0002032000000000 ] - [ -0.0014615900000000, -0.0032747100000000, -0.0003680300000000 ] - [ -0.0017341600000000, -0.0035630300000000, 0.0003896400000000 ] - [ -0.0012241600000000, -0.0003776600000000, -0.0004348000000000 ] - [ 0.0013421100000000, -0.0004161700000000, 0.0005849900000000 ] - [ -0.0002231800000000, -0.0017878100000000, -0.0003170000000000 ] - [ 0.0004384100000000, -0.0003714200000000, -0.0015622200000000 ] - [ 0.0006950300000000, 0.0005093600000000, 0.0001264600000000 ] - [ -0.0014139800000000, -0.0003901700000000, 0.0007263900000000 ]- atom: 19 displacement: [ -0.0100000000000000, 0.0000000000071070, 0.0000000000000000 ] forces: - [ -0.0000784300000000, 0.0002182200000000, 0.0001030500000000 ] - [ -0.0004724800000000, 0.0004049100000000, 0.0002671800000000 ] - [ 0.0004675200000000, -0.0006673500000000, -0.0002291700000000 ] - [ -0.0024800300000000, -0.0006114700000000, -0.0020844800000000 ] - [ 0.0005029600000000, 0.0010501600000000, -0.0000618500000000 ] - [ 0.0005399700000000, 0.0014713700000000, 0.0003534000000000 ] - [ -0.0050896200000000, -0.0033012500000000, 0.0036415700000000 ] - [ 0.0009785100000000, 0.0000256500000000, 0.0000041000000000 ] - [ -0.0001534900000000, -0.0037209700000000, -0.0002396900000000 ] - [ 0.0001872000000000, 0.0003043000000000, 0.0000152500000000 ] - [ -0.0002462600000000, -0.0003546400000000, -0.0000403900000000 ] - [ 0.0030332000000000, -0.0004524000000000, 0.0003561400000000 ] - [ 0.0004705700000000, 0.0000632500000000, -0.0000954200000000 ] - [ -0.0005604900000000, 0.0002845300000000, 0.0000435700000000 ] - [ -0.0000236600000000, 0.0004177300000000, -0.0000167100000000 ] - [ 0.0005733900000000, 0.0000675800000000, -0.0001993100000000 ] - [ 0.0000345000000000, -0.0001188200000000, 0.0003579900000000 ] - [ 0.0000735400000000, -0.0001654400000000, -0.0000236700000000 ] - [ 0.1315459500000000, 0.1392612400000000, 0.0146502300000000 ] - [ 0.0012691500000000, 0.0001165200000000, 0.0002486900000000 ] - [ -0.0022558100000000, 0.0019209500000000, -0.0002397900000000 ] - [ -0.0002504300000000, -0.0014646400000000, -0.0004229900000000 ] - [ 0.0001355800000000, -0.0013996000000000, -0.0002878600000000 ] - [ -0.0004289700000000, -0.0001147300000000, -0.0000920700000000 ] - [ -0.0001073600000000, -0.0001216500000000, 0.0002554400000000 ] - [ -0.0029223200000000, 0.0030063100000000, -0.0025263900000000 ] - [ -0.0006985900000000, -0.0001276500000000, -0.0001362600000000 ] - [ -0.0011312600000000, 0.0007257700000000, 0.0004794300000000 ] - [ -0.0002891100000000, -0.0005203300000000, -0.0002309100000000 ] - [ 0.0016772000000000, 0.0003483200000000, 0.0002181900000000 ] - [ -0.0000373700000000, 0.0007284000000000, 0.0002485500000000 ] - [ 0.0022144200000000, -0.0036654700000000, -0.0004423200000000 ] - [ -0.0101282900000000, -0.0094014200000000, 0.0095809500000000 ] - [ -0.0004889800000000, 0.0005496100000000, -0.0002545300000000 ] - [ 0.0013628700000000, -0.0005547500000000, 0.0007583900000000 ] - [ -0.0072474500000000, -0.0102281200000000, -0.0112048600000000 ] - [ -0.0027251000000000, -0.0009296300000000, -0.0000075000000000 ] - [ 0.0002923500000000, 0.0003431500000000, -0.0001154100000000 ] - [ -0.0087334400000000, -0.0013200900000000, -0.0035765600000000 ] - [ -0.0011133100000000, 0.0004769000000000, 0.0011380300000000 ] - [ 0.0004412300000000, 0.0001483700000000, -0.0000459400000000 ] - [ 0.0010487900000000, -0.0004094400000000, -0.0022228700000000 ] - [ -0.0004484300000000, -0.0004099300000000, -0.0000872700000000 ] - [ -0.0014170900000000, 0.0001890900000000, 0.0003784500000000 ] - [ 0.0004457800000000, 0.0008567200000000, 0.0003576200000000 ] - [ 0.0003949000000000, -0.0001033600000000, -0.0000924000000000 ] - [ -0.0007680800000000, 0.0006471900000000, -0.0004092500000000 ] - [ 0.0017664000000000, 0.0014917200000000, -0.0008643500000000 ] - [ -0.0014598100000000, -0.0007202200000000, 0.0001734000000000 ] - [ -0.0009030300000000, -0.0013426000000000, 0.0004296100000000 ] - [ 0.0087738100000000, -0.0000618900000000, 0.0002597800000000 ] - [ 0.0005642100000000, -0.0005455300000000, 0.0000881200000000 ] - [ -0.0018278800000000, 0.0004665900000000, -0.0000794100000000 ] - [ 0.0000529700000000, -0.0007420100000000, 0.0001214100000000 ] - [ -0.0000561500000000, 0.0023895800000000, 0.0027089600000000 ] - [ -0.0011488600000000, 0.0003392200000000, -0.0002652800000000 ] - [ 0.0000063100000000, 0.0001828500000000, 0.0000571900000000 ] - [ 0.0006334500000000, 0.0004949900000000, -0.0000156400000000 ] - [ -0.0009567400000000, 0.0004019000000000, -0.0000381800000000 ] - [ 0.0000712100000000, -0.0000550400000000, 0.0000258700000000 ] - [ 0.0001856300000000, 0.0002411400000000, -0.0000918500000000 ] - [ -0.0026758900000000, -0.0031726000000000, 0.0016331600000000 ] - [ -0.0016266200000000, -0.0013967500000000, -0.0002792700000000 ] - [ 0.0001467900000000, 0.0005441200000000, 0.0001110300000000 ] - [ -0.0016973300000000, 0.0004478900000000, 0.0007644700000000 ] - [ -0.0008021500000000, -0.0003416900000000, -0.0001332900000000 ] - [ -0.0004487100000000, -0.0004450700000000, -0.0000455400000000 ] - [ 0.0005732900000000, -0.0007787900000000, 0.0004885400000000 ] - [ 0.0001471300000000, -0.0010939300000000, -0.0000815900000000 ] - [ -0.0023930400000000, 0.0002887600000000, -0.0017848200000000 ] - [ 0.0003074000000000, 0.0008168600000000, -0.0001499400000000 ] - [ -0.0009385600000000, -0.0002493000000000, 0.0002265300000000 ] - [ -0.0000084700000000, -0.0000034100000000, -0.0000843000000000 ] - [ 0.0000047800000000, 0.0006766300000000, 0.0001828600000000 ] - [ 0.0001855500000000, -0.0006689800000000, -0.0000324900000000 ] - [ 0.0004783500000000, -0.0003188500000000, -0.0000785900000000 ] - [ 0.0027182200000000, 0.0000162800000000, -0.0003477500000000 ] - [ -0.0008257800000000, 0.0000703400000000, -0.0001658800000000 ] - [ -0.0002224500000000, -0.0011214400000000, -0.0003446100000000 ] - [ 0.0001308400000000, -0.0003780900000000, 0.0002571400000000 ] - [ -0.0004339000000000, 0.0001004500000000, 0.0000755700000000 ] - [ -0.0003254200000000, -0.0009752300000000, 0.0000811800000000 ] - [ 0.0002336800000000, -0.0001975000000000, 0.0002752300000000 ] - [ -0.0009140500000000, -0.0004070800000000, -0.0002143100000000 ] - [ 0.0005371100000000, 0.0000580100000000, -0.0005055800000000 ] - [ -0.0003752200000000, -0.0006187500000000, -0.0000702800000000 ] - [ 0.0000230500000000, 0.0000294800000000, -0.0001528300000000 ] - [ -0.0000806200000000, -0.0011601100000000, 0.0007354600000000 ] - [ -0.0002079700000000, -0.0009331500000000, -0.0003167500000000 ] - [ -0.0001402100000000, -0.0002979000000000, 0.0000119100000000 ] - [ -0.0081397300000000, -0.0080419900000000, -0.0148039900000000 ] - [ -0.0005764800000000, -0.0008624900000000, 0.0001092600000000 ] - [ 0.0067403800000000, -0.0008210500000000, -0.0006667000000000 ] - [ 0.0018125300000000, -0.0002722400000000, 0.0000080000000000 ] - [ -0.0016487200000000, -0.0021121200000000, 0.0015071700000000 ] - [ 0.0003308800000000, 0.0004494000000000, 0.0000636100000000 ] - [ 0.0011187600000000, 0.0000372800000000, 0.0002476200000000 ] - [ 0.0023926600000000, -0.0007896300000000, -0.0017335400000000 ] - [ 0.0000908000000000, -0.0003754100000000, 0.0000823200000000 ] - [ -0.0007207400000000, 0.0016632900000000, 0.0000878600000000 ] - [ 0.0002475100000000, 0.0012759000000000, -0.0001735600000000 ] - [ 0.0014565700000000, 0.0001354400000000, 0.0001261400000000 ] - [ -0.0002279500000000, 0.0004326300000000, 0.0001728700000000 ] - [ 0.0004524000000000, 0.0007965600000000, 0.0003000900000000 ] - [ 0.0004876500000000, 0.0005866200000000, -0.0001585200000000 ] - [ -0.0007615800000000, 0.0004737000000000, -0.0002420800000000 ] - [ 0.0008981100000000, -0.0009584100000000, 0.0002976200000000 ] - [ -0.0048314600000000, -0.0007347200000000, 0.0050682700000000 ] - [ -0.1054221000000000, -0.0985075500000000, 0.0005183500000000 ] - [ -0.0024873700000000, 0.0018020000000000, -0.0018947100000000 ] - [ 0.0023644600000000, -0.0028360900000000, -0.0003251400000000 ] - [ 0.0025724100000000, -0.0002719500000000, -0.0000854200000000 ] - [ 0.0071393500000000, -0.0033108100000000, 0.0017834100000000 ] - [ -0.0000839700000000, -0.0005197000000000, -0.0001311800000000 ] - [ 0.0004210000000000, 0.0006607800000000, -0.0002161300000000 ] - [ 0.0019830300000000, 0.0000566300000000, 0.0001541600000000 ] - [ -0.0035128900000000, -0.0028699100000000, -0.0022863900000000 ] - [ -0.0004691200000000, 0.0005061000000000, 0.0000463300000000 ] - [ 0.0018508000000000, 0.0030556400000000, 0.0006359700000000 ] - [ 0.0017127900000000, 0.0040379000000000, -0.0001313700000000 ] - [ 0.0016147600000000, 0.0004108500000000, 0.0002756900000000 ] - [ -0.0015531500000000, 0.0007149700000000, -0.0007540700000000 ] - [ 0.0000458500000000, 0.0014331000000000, 0.0001484900000000 ] - [ -0.0008536600000000, 0.0001029600000000, 0.0017532800000000 ] - [ -0.0002929700000000, -0.0007043900000000, 0.0000911100000000 ] - [ 0.0013841200000000, 0.0008627200000000, -0.0005100400000000 ]- atom: 19 displacement: [ -0.0049999999943570, 0.0086602540411024, 0.0000000000000000 ] forces: - [ 0.0002882100000000, -0.0005620000000000, 0.0001990400000000 ] - [ 0.0001667400000000, -0.0005946600000000, -0.0014024100000000 ] - [ 0.0001066700000000, 0.0000210300000000, -0.0002044700000000 ] - [ 0.0001009900000000, 0.0010765100000000, 0.0003113000000000 ] - [ -0.0005670100000000, -0.0002137500000000, 0.0004052100000000 ] - [ -0.0005499800000000, -0.0000534700000000, 0.0000347900000000 ] - [ -0.0002857500000000, 0.0066151600000000, -0.0047678000000000 ] - [ 0.0000064500000000, 0.0001636000000000, 0.0000136300000000 ] - [ 0.0037319400000000, -0.0020299700000000, 0.0001342000000000 ] - [ 0.0005010600000000, -0.0007398900000000, -0.0000415900000000 ] - [ 0.0008471000000000, -0.0004216600000000, 0.0003939700000000 ] - [ -0.0005024300000000, 0.0006203000000000, 0.0001122600000000 ] - [ -0.0000909200000000, -0.0000306600000000, -0.0000031200000000 ] - [ -0.0003306700000000, -0.0001019800000000, -0.0004889200000000 ] - [ -0.0003267400000000, -0.0005030000000000, -0.0001220500000000 ] - [ -0.0000714600000000, -0.0001176100000000, -0.0000422200000000 ] - [ -0.0000852900000000, 0.0004843200000000, -0.0000515600000000 ] - [ 0.0003669200000000, -0.0003358700000000, -0.0000720000000000 ] - [ -0.0568195100000000, -0.1315574100000000, -0.0123413200000000 ] - [ -0.0021466700000000, 0.0013906700000000, -0.0000241200000000 ] - [ -0.0001356000000000, -0.0007928300000000, 0.0001584400000000 ] - [ 0.0026849400000000, 0.0004217600000000, 0.0007883900000000 ] - [ 0.0010236200000000, 0.0002348900000000, -0.0004470500000000 ] - [ -0.0001479800000000, 0.0009996700000000, -0.0004294500000000 ] - [ -0.0008865200000000, 0.0004688700000000, 0.0002183100000000 ] - [ -0.0032573400000000, -0.0010265600000000, -0.0017831900000000 ] - [ 0.0000995900000000, -0.0002307400000000, -0.0000965400000000 ] - [ 0.0001533000000000, 0.0000967400000000, 0.0002849200000000 ] - [ 0.0001917700000000, 0.0008616900000000, 0.0002526100000000 ] - [ 0.0002795000000000, 0.0001950600000000, -0.0009806900000000 ] - [ -0.0005097500000000, -0.0004721300000000, -0.0001206300000000 ] - [ -0.0015649600000000, 0.0102511000000000, 0.0012010100000000 ] - [ 0.0041957900000000, -0.0060639600000000, -0.0017526000000000 ] - [ -0.0006713600000000, -0.0003460600000000, -0.0001338000000000 ] - [ 0.0000234100000000, 0.0050622400000000, -0.0030427500000000 ] - [ 0.0049134300000000, -0.0050072800000000, 0.0020218300000000 ] - [ 0.0005533400000000, 0.0001897600000000, -0.0002022100000000 ] - [ -0.0004501200000000, 0.0010772300000000, -0.0001697500000000 ] - [ 0.0028323200000000, -0.0020294600000000, 0.0007882100000000 ] - [ 0.0001445100000000, -0.0002928500000000, -0.0001134800000000 ] - [ -0.0007352700000000, 0.0003487900000000, 0.0005102800000000 ] - [ 0.0009874800000000, -0.0005576000000000, 0.0022061800000000 ] - [ 0.0001774700000000, 0.0005308000000000, 0.0001335500000000 ] - [ -0.0002129600000000, -0.0002744900000000, 0.0001192500000000 ] - [ -0.0004163400000000, 0.0006696300000000, 0.0003039800000000 ] - [ -0.0009466600000000, 0.0001126200000000, -0.0007127900000000 ] - [ 0.0003631200000000, -0.0003261300000000, -0.0002205700000000 ] - [ -0.0002012400000000, -0.0013334600000000, 0.0000561200000000 ] - [ 0.0008492400000000, -0.0001268200000000, 0.0003110500000000 ] - [ 0.0009380300000000, 0.0011519800000000, 0.0004016400000000 ] - [ 0.0078559500000000, 0.0247770500000000, 0.0002378200000000 ] - [ -0.0006293400000000, 0.0026912500000000, 0.0011885400000000 ] - [ -0.0004985100000000, -0.0000637100000000, -0.0001579800000000 ] - [ 0.0008634100000000, 0.0030693400000000, -0.0005454400000000 ] - [ -0.0015305600000000, 0.0000809600000000, 0.0020096100000000 ] - [ -0.0002977700000000, -0.0000777400000000, -0.0000066400000000 ] - [ -0.0005422600000000, 0.0007522800000000, 0.0000415600000000 ] - [ -0.0002549400000000, -0.0006627600000000, 0.0005776700000000 ] - [ -0.0001329800000000, 0.0001291900000000, 0.0000196000000000 ] - [ -0.0001748100000000, 0.0003878400000000, -0.0000718900000000 ] - [ -0.0008873000000000, 0.0007801300000000, -0.0001428400000000 ] - [ 0.0016725700000000, -0.0005803500000000, -0.0005438200000000 ] - [ 0.0007405100000000, -0.0002019700000000, 0.0001034100000000 ] - [ -0.0011828100000000, 0.0011518500000000, -0.0004016200000000 ] - [ -0.0000293800000000, -0.0008321200000000, -0.0000413500000000 ] - [ 0.0001647200000000, 0.0002813700000000, 0.0000647300000000 ] - [ 0.0001511800000000, 0.0005170000000000, 0.0000653600000000 ] - [ 0.0008507200000000, -0.0000101500000000, -0.0003532400000000 ] - [ 0.0003424200000000, 0.0004129000000000, 0.0002680000000000 ] - [ -0.0001953900000000, -0.0011373100000000, -0.0003056600000000 ] - [ -0.0003178200000000, 0.0007476800000000, -0.0001288900000000 ] - [ -0.0000409900000000, 0.0004450300000000, -0.0003083800000000 ] - [ 0.0000995400000000, -0.0005329900000000, 0.0003666300000000 ] - [ -0.0006275900000000, -0.0001398200000000, 0.0003172600000000 ] - [ -0.0001324000000000, 0.0011455700000000, -0.0004084300000000 ] - [ 0.0003810700000000, -0.0001728500000000, 0.0003584700000000 ] - [ -0.0002650300000000, -0.0003422100000000, 0.0008718500000000 ] - [ -0.0000434200000000, 0.0000236600000000, -0.0001372300000000 ] - [ 0.0006924400000000, 0.0003887700000000, 0.0003258000000000 ] - [ -0.0003806600000000, 0.0004788300000000, -0.0005783700000000 ] - [ 0.0005334000000000, 0.0002961100000000, -0.0001056500000000 ] - [ 0.0004395200000000, 0.0003587500000000, 0.0000557700000000 ] - [ -0.0000003800000000, 0.0015809400000000, -0.0022616300000000 ] - [ 0.0005122900000000, 0.0001288100000000, 0.0000578800000000 ] - [ 0.0006890600000000, -0.0000044300000000, 0.0000240200000000 ] - [ 0.0002928800000000, -0.0001957000000000, -0.0001193900000000 ] - [ -0.0008857500000000, 0.0005140700000000, -0.0001119400000000 ] - [ 0.0003634000000000, 0.0002188800000000, -0.0000808300000000 ] - [ 0.0006901100000000, 0.0001680100000000, 0.0004689400000000 ] - [ -0.0000921200000000, 0.0007434400000000, 0.0004615800000000 ] - [ 0.0028522200000000, 0.0100436600000000, 0.0145016600000000 ] - [ 0.0016908200000000, -0.0010315500000000, -0.0007795900000000 ] - [ -0.0007526500000000, 0.0009413900000000, -0.0000923600000000 ] - [ 0.0000109300000000, 0.0001616000000000, 0.0000347100000000 ] - [ 0.0004332900000000, -0.0002973300000000, 0.0009130300000000 ] - [ 0.0004843700000000, -0.0005869000000000, 0.0001023600000000 ] - [ -0.0005998600000000, -0.0000929500000000, -0.0000292000000000 ] - [ 0.0006436900000000, 0.0016903800000000, -0.0001343300000000 ] - [ 0.0011370600000000, -0.0006552400000000, -0.0001423400000000 ] - [ -0.0030969000000000, -0.0069247400000000, -0.0000199300000000 ] - [ -0.0015375700000000, -0.0013368000000000, 0.0002949700000000 ] - [ -0.0002245600000000, -0.0003061400000000, -0.0000647200000000 ] - [ 0.0004067600000000, -0.0005453400000000, -0.0000900300000000 ] - [ -0.0007947000000000, -0.0004556000000000, 0.0000466200000000 ] - [ -0.0004441600000000, -0.0000139800000000, 0.0001196600000000 ] - [ 0.0004463400000000, -0.0011648500000000, 0.0020211300000000 ] - [ 0.0002833600000000, 0.0002109200000000, 0.0001331500000000 ] - [ 0.0001243100000000, 0.0018968900000000, -0.0012776400000000 ] - [ 0.0348277400000000, 0.0949945700000000, -0.0002579400000000 ] - [ 0.0020552900000000, -0.0077860800000000, 0.0029505100000000 ] - [ 0.0010318500000000, 0.0004240000000000, 0.0001361700000000 ] - [ -0.0007186500000000, -0.0004150100000000, 0.0001455000000000 ] - [ 0.0008628100000000, 0.0051481500000000, 0.0005907700000000 ] - [ 0.0013928000000000, -0.0015409800000000, 0.0006965000000000 ] - [ 0.0009315000000000, -0.0013367900000000, -0.0001053200000000 ] - [ 0.0001012500000000, 0.0003549100000000, -0.0001111200000000 ] - [ 0.0004763300000000, -0.0008094600000000, -0.0024822500000000 ] - [ 0.0009992400000000, -0.0025191000000000, 0.0003058300000000 ] - [ -0.0019041200000000, -0.0007461200000000, -0.0015972900000000 ] - [ -0.0016044500000000, -0.0000408400000000, 0.0005902800000000 ] - [ -0.0002767500000000, -0.0003086800000000, -0.0000375700000000 ] - [ -0.0012667700000000, 0.0001056100000000, 0.0021653300000000 ] - [ -0.0010741400000000, -0.0012835300000000, -0.0005251600000000 ] - [ -0.0012906900000000, 0.0000209100000000, -0.0010033400000000 ] - [ 0.0017498100000000, -0.0006437700000000, 0.0001652700000000 ] - [ -0.0001631800000000, 0.0006311400000000, 0.0001702800000000 ]- atom: 19 displacement: [ 0.0049999999943570, -0.0086602540411024, 0.0000000000000000 ] forces: - [ -0.0003199800000000, 0.0006130500000000, 0.0000953500000000 ] - [ -0.0004327900000000, 0.0007678500000000, 0.0011816800000000 ] - [ -0.0002027600000000, -0.0003573600000000, -0.0000210900000000 ] - [ 0.0001801100000000, -0.0010130700000000, -0.0005471100000000 ] - [ 0.0006071700000000, 0.0002138100000000, -0.0001130200000000 ] - [ 0.0006192000000000, 0.0001397600000000, 0.0002668300000000 ] - [ 0.0001874200000000, -0.0064942500000000, 0.0048505400000000 ] - [ -0.0002187900000000, -0.0000129600000000, 0.0000278700000000 ] - [ -0.0038068800000000, 0.0017454000000000, -0.0000984500000000 ] - [ -0.0002600100000000, 0.0007590700000000, 0.0000752300000000 ] - [ -0.0008841000000000, 0.0004007800000000, -0.0003984300000000 ] - [ 0.0006304200000000, -0.0005978500000000, -0.0001098200000000 ] - [ 0.0000719700000000, 0.0001642700000000, -0.0000494000000000 ] - [ 0.0000909300000000, 0.0002763100000000, 0.0003064200000000 ] - [ 0.0002185900000000, 0.0001996700000000, -0.0000568200000000 ] - [ 0.0003425900000000, 0.0001459600000000, -0.0001378900000000 ] - [ 0.0000510000000000, -0.0005213300000000, -0.0000054500000000 ] - [ -0.0002364800000000, 0.0003746900000000, 0.0000278700000000 ] - [ 0.0555946900000000, 0.1303839900000000, 0.0123526700000000 ] - [ 0.0021079700000000, -0.0013439000000000, 0.0001000000000000 ] - [ 0.0001053200000000, 0.0007421200000000, -0.0000844600000000 ] - [ -0.0027807700000000, -0.0008694900000000, -0.0011299200000000 ] - [ -0.0005792700000000, -0.0001104300000000, 0.0000986600000000 ] - [ -0.0001845400000000, -0.0006785000000000, 0.0000786600000000 ] - [ 0.0009475100000000, -0.0007638100000000, 0.0003419300000000 ] - [ 0.0029429100000000, 0.0011177200000000, 0.0023332300000000 ] - [ 0.0001440700000000, -0.0001342200000000, -0.0001333300000000 ] - [ 0.0000751800000000, 0.0000925600000000, 0.0002747200000000 ] - [ -0.0005897600000000, -0.0008420200000000, -0.0004803400000000 ] - [ -0.0000833000000000, 0.0001973700000000, 0.0007467400000000 ] - [ 0.0008716000000000, 0.0000353200000000, 0.0000489900000000 ] - [ 0.0009916200000000, -0.0104008100000000, -0.0013108800000000 ] - [ -0.0040122200000000, 0.0065422600000000, 0.0016968000000000 ] - [ 0.0005049100000000, -0.0000519400000000, 0.0001169700000000 ] - [ -0.0002804300000000, -0.0048039000000000, 0.0030533300000000 ] - [ -0.0045258700000000, 0.0050172400000000, -0.0020521400000000 ] - [ -0.0006883300000000, 0.0000243700000000, -0.0000623300000000 ] - [ 0.0007098100000000, -0.0010872300000000, -0.0000977300000000 ] - [ -0.0029381500000000, 0.0017465600000000, -0.0010566800000000 ] - [ -0.0002437800000000, 0.0004176500000000, 0.0001986600000000 ] - [ 0.0008942400000000, -0.0003263800000000, -0.0004334400000000 ] - [ -0.0010221200000000, 0.0004618000000000, -0.0020920400000000 ] - [ -0.0001326700000000, -0.0005201300000000, -0.0000682200000000 ] - [ 0.0001823400000000, 0.0003034500000000, -0.0000628200000000 ] - [ 0.0004076200000000, -0.0007161100000000, -0.0002429600000000 ] - [ 0.0008519700000000, -0.0005599800000000, 0.0003771600000000 ] - [ 0.0000730100000000, 0.0004680600000000, -0.0001188600000000 ] - [ -0.0001383500000000, 0.0016420400000000, -0.0004055100000000 ] - [ -0.0007833100000000, -0.0001574300000000, 0.0002745600000000 ] - [ -0.0012142700000000, -0.0010633500000000, 0.0001932700000000 ] - [ -0.0074868300000000, -0.0245776900000000, -0.0004946700000000 ] - [ 0.0008500500000000, -0.0024930100000000, -0.0005991500000000 ] - [ 0.0001110700000000, 0.0000784000000000, -0.0000958500000000 ] - [ -0.0006855900000000, -0.0026825300000000, 0.0002899200000000 ] - [ 0.0018503800000000, -0.0005483700000000, -0.0020529900000000 ] - [ -0.0002854800000000, 0.0000443600000000, -0.0000573300000000 ] - [ 0.0007782500000000, -0.0002337100000000, -0.0000906200000000 ] - [ 0.0000836900000000, 0.0002539200000000, -0.0005191000000000 ] - [ -0.0001197500000000, 0.0001748900000000, 0.0000364600000000 ] - [ 0.0005422800000000, -0.0003240700000000, 0.0001169200000000 ] - [ 0.0007700300000000, -0.0005448700000000, -0.0000853500000000 ] - [ -0.0014013300000000, 0.0005665600000000, 0.0003154100000000 ] - [ -0.0008800200000000, -0.0000950100000000, -0.0003338900000000 ] - [ 0.0010686300000000, -0.0010430500000000, 0.0004708700000000 ] - [ 0.0001814300000000, 0.0008702400000000, 0.0001108500000000 ] - [ -0.0001796600000000, -0.0003949300000000, 0.0000143600000000 ] - [ -0.0001022600000000, -0.0005020700000000, 0.0000713500000000 ] - [ -0.0008756900000000, 0.0000352200000000, 0.0004807300000000 ] - [ -0.0003552900000000, -0.0004544600000000, -0.0001384200000000 ] - [ 0.0001019000000000, 0.0006916500000000, -0.0000472000000000 ] - [ 0.0007492600000000, -0.0006079100000000, -0.0002272800000000 ] - [ -0.0003036600000000, -0.0001512300000000, -0.0000441000000000 ] - [ -0.0000526500000000, 0.0002469800000000, 0.0001714600000000 ] - [ 0.0003593900000000, 0.0002436500000000, 0.0002302700000000 ] - [ 0.0003789400000000, -0.0014994000000000, 0.0002063400000000 ] - [ -0.0001554500000000, 0.0003549300000000, 0.0001809800000000 ] - [ -0.0001208400000000, 0.0003466700000000, -0.0010677400000000 ] - [ 0.0002213100000000, 0.0003732400000000, -0.0000658300000000 ] - [ -0.0003526400000000, -0.0008418700000000, -0.0003326100000000 ] - [ -0.0001901900000000, -0.0005304500000000, 0.0005653500000000 ] - [ -0.0003097300000000, 0.0002238100000000, 0.0001048500000000 ] - [ -0.0006063400000000, -0.0007478300000000, -0.0000358700000000 ] - [ -0.0002346600000000, -0.0012838600000000, 0.0022627500000000 ] - [ -0.0001579200000000, -0.0000680100000000, -0.0000480400000000 ] - [ -0.0008066300000000, 0.0002427500000000, -0.0002883200000000 ] - [ -0.0000221600000000, 0.0001740100000000, -0.0001468000000000 ] - [ 0.0007518100000000, -0.0008093000000000, -0.0001559300000000 ] - [ -0.0004699000000000, -0.0001055500000000, 0.0002009800000000 ] - [ -0.0005339500000000, -0.0001360400000000, -0.0003503900000000 ] - [ 0.0000749500000000, -0.0008503800000000, -0.0003296000000000 ] - [ -0.0033576600000000, -0.0097021800000000, -0.0144574900000000 ] - [ -0.0017505200000000, 0.0006326600000000, 0.0008687400000000 ] - [ 0.0011390700000000, -0.0007996300000000, 0.0001825800000000 ] - [ -0.0001871000000000, -0.0000064200000000, 0.0000232800000000 ] - [ -0.0004759000000000, 0.0000706500000000, -0.0008493600000000 ] - [ -0.0002482600000000, 0.0006761100000000, -0.0000493100000000 ] - [ 0.0002863300000000, 0.0002728600000000, 0.0000927200000000 ] - [ -0.0006697600000000, -0.0020531300000000, 0.0001984700000000 ] - [ -0.0008204900000000, 0.0008250500000000, 0.0002010500000000 ] - [ 0.0028055700000000, 0.0070512600000000, 0.0000919900000000 ] - [ 0.0015307000000000, 0.0010314200000000, -0.0002250200000000 ] - [ 0.0005067700000000, 0.0004604500000000, 0.0001304500000000 ] - [ -0.0007379500000000, 0.0007247700000000, 0.0002065500000000 ] - [ 0.0007769700000000, 0.0000768400000000, 0.0000707000000000 ] - [ 0.0007657400000000, 0.0001908400000000, -0.0000020300000000 ] - [ -0.0006829900000000, 0.0013219700000000, -0.0020164100000000 ] - [ -0.0002973700000000, -0.0004970300000000, -0.0001214600000000 ] - [ 0.0001262600000000, -0.0017496100000000, 0.0013005700000000 ] - [ -0.0329672900000000, -0.0942728700000000, 0.0000643300000000 ] - [ -0.0022627800000000, 0.0081204700000000, -0.0031779500000000 ] - [ -0.0012134700000000, -0.0007746900000000, -0.0003675600000000 ] - [ 0.0003232500000000, 0.0001321800000000, 0.0000496800000000 ] - [ -0.0004421900000000, -0.0053064000000000, -0.0003898000000000 ] - [ -0.0014379000000000, 0.0020354700000000, -0.0004877900000000 ] - [ -0.0005371500000000, 0.0013663500000000, -0.0001198300000000 ] - [ -0.0003155400000000, -0.0000570500000000, -0.0001116700000000 ] - [ -0.0006447600000000, 0.0004655300000000, 0.0022426400000000 ] - [ -0.0013993200000000, 0.0022640700000000, -0.0000549000000000 ] - [ 0.0022914300000000, 0.0005564400000000, 0.0018499300000000 ] - [ 0.0015883300000000, 0.0005093500000000, -0.0003354400000000 ] - [ 0.0006674700000000, 0.0003356400000000, -0.0001219800000000 ] - [ 0.0010331900000000, 0.0002079100000000, -0.0023113000000000 ] - [ 0.0009031700000000, 0.0009316600000000, 0.0003597900000000 ] - [ 0.0008796600000000, -0.0002901200000000, 0.0012033900000000 ] - [ -0.0013552100000000, 0.0004412600000000, 0.0000512200000000 ] - [ 0.0001497700000000, -0.0001544300000000, 0.0000394500000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000138900000000, -0.0000463300000000, 0.0001900800000000 ] - [ 0.0000645300000000, -0.0003821500000000, -0.0008201300000000 ] - [ 0.0000085000000000, -0.0002635200000000, -0.0001697300000000 ] - [ 0.0005218100000000, 0.0011717200000000, -0.0023219000000000 ] - [ 0.0000059400000000, 0.0004044900000000, 0.0003332300000000 ] - [ -0.0002993400000000, -0.0006956100000000, 0.0003374800000000 ] - [ -0.0033521600000000, -0.0077187800000000, 0.0172660000000000 ] - [ -0.0002430500000000, 0.0000650200000000, 0.0001624600000000 ] - [ 0.0005088700000000, -0.0003538400000000, 0.0012973500000000 ] - [ 0.0001990400000000, -0.0000568700000000, 0.0000771900000000 ] - [ -0.0000418200000000, 0.0001019300000000, 0.0001079200000000 ] - [ -0.0025044600000000, 0.0006344000000000, 0.0003041600000000 ] - [ -0.0000730300000000, 0.0000563400000000, -0.0001613600000000 ] - [ -0.0001128800000000, -0.0003620400000000, -0.0002361200000000 ] - [ -0.0001146900000000, -0.0001427400000000, -0.0002057100000000 ] - [ 0.0001482300000000, 0.0000121600000000, -0.0002112100000000 ] - [ 0.0000415700000000, 0.0001748100000000, -0.0004971200000000 ] - [ 0.0001257900000000, -0.0000740500000000, -0.0002282500000000 ] - [ -0.0134612700000000, -0.0208109600000000, -0.1181360700000000 ] - [ -0.0004168400000000, 0.0001160300000000, -0.0009682900000000 ] - [ -0.0000776900000000, 0.0002510600000000, -0.0009679800000000 ] - [ 0.0001063500000000, 0.0001323700000000, -0.0006857200000000 ] - [ 0.0003113500000000, -0.0002150500000000, -0.0007943700000000 ] - [ -0.0001709900000000, 0.0002718800000000, -0.0002968700000000 ] - [ -0.0001040800000000, -0.0001150300000000, 0.0002149500000000 ] - [ 0.0019907200000000, -0.0013232400000000, 0.0005511500000000 ] - [ 0.0002206600000000, -0.0000579100000000, -0.0000417900000000 ] - [ 0.0000866000000000, 0.0000736500000000, 0.0002164000000000 ] - [ -0.0000903000000000, 0.0003400500000000, 0.0000801100000000 ] - [ 0.0001475300000000, -0.0007012000000000, 0.0001783200000000 ] - [ 0.0000437500000000, -0.0002179600000000, -0.0002380100000000 ] - [ -0.0013864200000000, 0.0070045100000000, -0.0015054900000000 ] - [ -0.0131463900000000, -0.0083451800000000, -0.0005031800000000 ] - [ 0.0001241300000000, -0.0001691800000000, -0.0002978700000000 ] - [ 0.0001132700000000, -0.0033825900000000, -0.0011812300000000 ] - [ 0.0144790600000000, 0.0116277000000000, 0.0026438600000000 ] - [ -0.0011804300000000, -0.0004566900000000, -0.0002068900000000 ] - [ 0.0000466300000000, 0.0000533800000000, -0.0001926800000000 ] - [ 0.0045395600000000, 0.0008249400000000, 0.0009236900000000 ] - [ -0.0003211600000000, -0.0000034700000000, 0.0013770200000000 ] - [ -0.0002256600000000, 0.0001526200000000, 0.0003712000000000 ] - [ 0.0018664900000000, 0.0025880400000000, 0.0121341700000000 ] - [ 0.0001372500000000, 0.0000688400000000, 0.0001091500000000 ] - [ -0.0003673700000000, -0.0000177300000000, 0.0002577400000000 ] - [ -0.0004216100000000, 0.0007113100000000, 0.0002914200000000 ] - [ 0.0000403000000000, -0.0003155700000000, 0.0001326800000000 ] - [ 0.0008232400000000, -0.0001037000000000, 0.0007783200000000 ] - [ -0.0014257900000000, -0.0014470200000000, 0.0077816200000000 ] - [ -0.0005657500000000, -0.0004040700000000, 0.0001099100000000 ] - [ 0.0001291800000000, 0.0004730600000000, 0.0001425100000000 ] - [ 0.0000969300000000, 0.0013723000000000, -0.0066216500000000 ] - [ 0.0000545000000000, 0.0002739700000000, 0.0001807200000000 ] - [ -0.0001689400000000, 0.0000792300000000, -0.0002293500000000 ] - [ 0.0002510900000000, 0.0007411300000000, -0.0012388500000000 ] - [ -0.0015406200000000, 0.0010252700000000, 0.0010639200000000 ] - [ -0.0002099200000000, -0.0000775600000000, -0.0000744900000000 ] - [ -0.0000117600000000, 0.0003300800000000, -0.0000837700000000 ] - [ -0.0003937000000000, -0.0004959700000000, 0.0014090000000000 ] - [ -0.0000977800000000, 0.0001816500000000, 0.0003668200000000 ] - [ 0.0001554600000000, 0.0000679100000000, 0.0002291800000000 ] - [ -0.0001134700000000, 0.0002309000000000, -0.0001621900000000 ] - [ -0.0020013100000000, -0.0016286200000000, -0.0001022100000000 ] - [ 0.0011258200000000, 0.0005821300000000, -0.0002415500000000 ] - [ -0.0002216700000000, 0.0001166300000000, -0.0002981300000000 ] - [ 0.0006602600000000, -0.0001702500000000, -0.0013115500000000 ] - [ -0.0001045900000000, -0.0001434100000000, -0.0004100100000000 ] - [ 0.0001424900000000, 0.0001901000000000, 0.0001458800000000 ] - [ 0.0000377200000000, -0.0003330700000000, 0.0003286400000000 ] - [ 0.0000854500000000, 0.0003272800000000, 0.0002953900000000 ] - [ 0.0008952100000000, -0.0004827600000000, 0.0004771700000000 ] - [ 0.0002301800000000, -0.0001777600000000, -0.0001413700000000 ] - [ -0.0003517600000000, 0.0000420200000000, -0.0000152800000000 ] - [ 0.0006090600000000, -0.0003033500000000, 0.0020628800000000 ] - [ -0.0001809800000000, -0.0000129300000000, 0.0004850200000000 ] - [ 0.0001263700000000, -0.0002789300000000, 0.0000167100000000 ] - [ 0.0000148800000000, 0.0004546900000000, 0.0020098600000000 ] - [ -0.0012749100000000, 0.0008618400000000, 0.0006750200000000 ] - [ 0.0001082000000000, 0.0001700700000000, -0.0000597200000000 ] - [ 0.0003085800000000, -0.0000122900000000, 0.0002841800000000 ] - [ -0.0002286100000000, -0.0001361300000000, 0.0002486400000000 ] - [ 0.0001858500000000, 0.0003321400000000, 0.0001575400000000 ] - [ 0.0000134200000000, -0.0001466800000000, -0.0001313900000000 ] - [ -0.0001177000000000, 0.0003024600000000, -0.0006356100000000 ] - [ 0.0005543600000000, 0.0002664500000000, -0.0000150800000000 ] - [ 0.0002356800000000, 0.0002716600000000, 0.0012919000000000 ] - [ 0.0003135600000000, -0.0000032700000000, 0.0002193800000000 ] - [ -0.0001223500000000, -0.0000708800000000, -0.0000090900000000 ] - [ -0.0001064000000000, -0.0002937200000000, 0.0004763800000000 ] - [ 0.0003972100000000, 0.0006031500000000, 0.0003384000000000 ] - [ -0.0000300800000000, -0.0000121700000000, 0.0001586800000000 ] - [ 0.0150695900000000, 0.0250736600000000, 0.0522245200000000 ] - [ 0.0002842700000000, -0.0003899600000000, 0.0000686900000000 ] - [ 0.0040010900000000, -0.0010229600000000, 0.0002745900000000 ] - [ -0.0005310100000000, 0.0000965200000000, -0.0002071900000000 ] - [ -0.0001797500000000, 0.0008081300000000, -0.0012095800000000 ] - [ 0.0002794800000000, 0.0000007600000000, -0.0001016200000000 ] - [ -0.0007235700000000, 0.0000478200000000, 0.0002500300000000 ] - [ 0.0018828100000000, 0.0000176000000000, 0.0005916500000000 ] - [ 0.0003350400000000, -0.0002302600000000, 0.0003498300000000 ] - [ -0.0001487500000000, -0.0005869200000000, -0.0000059400000000 ] - [ -0.0003901600000000, -0.0002744900000000, 0.0003887500000000 ] - [ 0.0001287400000000, -0.0000676700000000, 0.0004214600000000 ] - [ -0.0001723700000000, 0.0000010200000000, -0.0000660500000000 ] - [ -0.0001632600000000, -0.0003332900000000, -0.0005544200000000 ] - [ 0.0000568300000000, -0.0001657000000000, -0.0004839800000000 ] - [ -0.0001196000000000, 0.0004754000000000, -0.0009915700000000 ] - [ -0.0002504500000000, 0.0001749500000000, -0.0000874400000000 ] - [ 0.0007098200000000, -0.0011580300000000, -0.0064044800000000 ] - [ -0.0032025500000000, -0.0044114700000000, 0.0416496000000000 ] - [ 0.0006074500000000, -0.0002413300000000, 0.0069756900000000 ] - [ -0.0002201400000000, -0.0002941200000000, 0.0003539400000000 ] - [ 0.0004360600000000, 0.0000408000000000, 0.0002870700000000 ] - [ -0.0033049500000000, 0.0015831600000000, 0.0009006100000000 ] - [ 0.0001989300000000, 0.0002725600000000, 0.0004409900000000 ] - [ 0.0001355300000000, -0.0000548600000000, -0.0002045700000000 ] - [ 0.0000923200000000, 0.0000370200000000, -0.0003250000000000 ] - [ 0.0013027800000000, -0.0012610900000000, -0.0025871300000000 ] - [ -0.0001133000000000, -0.0004361600000000, 0.0001342300000000 ] - [ -0.0005485000000000, -0.0019244200000000, 0.0004810900000000 ] - [ 0.0007349600000000, 0.0020258900000000, 0.0006379700000000 ] - [ -0.0000667600000000, -0.0002449100000000, -0.0003497400000000 ] - [ -0.0003091600000000, 0.0011455200000000, 0.0000515100000000 ] - [ -0.0003393700000000, -0.0007090300000000, -0.0003061800000000 ] - [ -0.0010738200000000, -0.0015621000000000, -0.0087586400000000 ] - [ 0.0003845400000000, -0.0001380400000000, -0.0004558700000000 ] - [ -0.0008495700000000, 0.0005348600000000, -0.0020249200000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000475000000000, 0.0001027500000000, 0.0001036500000000 ] - [ -0.0003332600000000, 0.0005599200000000, 0.0005921200000000 ] - [ -0.0001040800000000, -0.0000722100000000, -0.0000568000000000 ] - [ -0.0002499500000000, -0.0011279700000000, 0.0020924400000000 ] - [ 0.0000396100000000, -0.0004065700000000, -0.0000439300000000 ] - [ 0.0003700800000000, 0.0007857600000000, -0.0000350200000000 ] - [ 0.0030005900000000, 0.0071983700000000, -0.0165412600000000 ] - [ 0.0000328800000000, 0.0000862800000000, -0.0001203100000000 ] - [ -0.0006328800000000, 0.0000793300000000, -0.0012589700000000 ] - [ 0.0000406800000000, 0.0000759100000000, -0.0000425800000000 ] - [ 0.0000041100000000, -0.0001222800000000, -0.0001099200000000 ] - [ 0.0026316100000000, -0.0006104900000000, -0.0003007200000000 ] - [ 0.0000532500000000, 0.0000764300000000, 0.0001096300000000 ] - [ -0.0001257900000000, 0.0005335700000000, 0.0000606800000000 ] - [ 0.0000071300000000, -0.0001575400000000, 0.0000283700000000 ] - [ 0.0001265200000000, 0.0000189700000000, 0.0000317100000000 ] - [ -0.0000704000000000, -0.0002175700000000, 0.0004406100000000 ] - [ 0.0000036000000000, 0.0001131500000000, 0.0001834400000000 ] - [ 0.0156948000000000, 0.0245486500000000, 0.1197934300000000 ] - [ 0.0003821700000000, -0.0000653100000000, 0.0010424400000000 ] - [ 0.0000460900000000, -0.0003066000000000, 0.0010426500000000 ] - [ -0.0002352800000000, -0.0005842400000000, 0.0003318200000000 ] - [ 0.0001339000000000, 0.0003308000000000, 0.0004423000000000 ] - [ -0.0001638900000000, 0.0000399200000000, -0.0000519100000000 ] - [ 0.0001713000000000, -0.0001813900000000, 0.0003470500000000 ] - [ -0.0022854300000000, 0.0014264400000000, 0.0000217500000000 ] - [ 0.0000207400000000, -0.0003082300000000, -0.0001871500000000 ] - [ 0.0001401300000000, 0.0001173600000000, 0.0003434300000000 ] - [ -0.0003057500000000, -0.0003234800000000, -0.0003058500000000 ] - [ 0.0000495200000000, 0.0011043500000000, -0.0004000600000000 ] - [ 0.0003168300000000, -0.0002202300000000, 0.0001660500000000 ] - [ 0.0008205900000000, -0.0071153900000000, 0.0014214000000000 ] - [ 0.0134654900000000, 0.0089334000000000, 0.0004612200000000 ] - [ -0.0002913300000000, -0.0002305200000000, 0.0002792300000000 ] - [ -0.0003534400000000, 0.0036643400000000, 0.0011529300000000 ] - [ -0.0139389100000000, -0.0114696900000000, -0.0026769600000000 ] - [ 0.0010480200000000, 0.0006748700000000, -0.0000568400000000 ] - [ 0.0002173100000000, -0.0000672700000000, -0.0000724400000000 ] - [ -0.0046833300000000, -0.0011351500000000, -0.0012046400000000 ] - [ 0.0002257300000000, 0.0001266100000000, -0.0012894200000000 ] - [ 0.0003869600000000, -0.0001332000000000, -0.0002914300000000 ] - [ -0.0019067900000000, -0.0027057400000000, -0.0121714100000000 ] - [ -0.0000914500000000, -0.0000573600000000, -0.0000446000000000 ] - [ 0.0003301900000000, 0.0000479400000000, -0.0002012700000000 ] - [ 0.0004123100000000, -0.0007510500000000, -0.0002330400000000 ] - [ -0.0001291000000000, -0.0001346000000000, -0.0004678900000000 ] - [ -0.0003840300000000, 0.0002445900000000, -0.0011196800000000 ] - [ 0.0010804000000000, 0.0017449000000000, -0.0081058800000000 ] - [ 0.0006208200000000, 0.0001156600000000, 0.0004729500000000 ] - [ -0.0004127000000000, -0.0003922200000000, 0.0004484800000000 ] - [ 0.0001294600000000, -0.0018572400000000, 0.0063537800000000 ] - [ 0.0001725500000000, -0.0001049900000000, 0.0003943200000000 ] - [ -0.0002202700000000, -0.0000654500000000, -0.0000243500000000 ] - [ -0.0000702700000000, -0.0003568400000000, 0.0009819900000000 ] - [ 0.0018648100000000, -0.0014785700000000, -0.0011226600000000 ] - [ -0.0003757300000000, 0.0000447300000000, 0.0000087400000000 ] - [ 0.0002518000000000, 0.0001884700000000, 0.0000311800000000 ] - [ 0.0002215100000000, 0.0000965300000000, -0.0013510500000000 ] - [ -0.0001565500000000, 0.0001220200000000, -0.0003101400000000 ] - [ 0.0002132800000000, -0.0000045500000000, -0.0001830700000000 ] - [ 0.0000015600000000, 0.0000003900000000, -0.0000663400000000 ] - [ 0.0022537800000000, 0.0015970500000000, -0.0001246200000000 ] - [ -0.0012672800000000, -0.0008726200000000, 0.0000090900000000 ] - [ 0.0001198100000000, -0.0000147400000000, 0.0003710400000000 ] - [ -0.0005119100000000, 0.0002125500000000, 0.0013790100000000 ] - [ 0.0000900800000000, 0.0000313100000000, 0.0004903600000000 ] - [ -0.0000964900000000, -0.0001803500000000, -0.0000086100000000 ] - [ -0.0000716700000000, 0.0003614900000000, -0.0001961600000000 ] - [ -0.0000964200000000, -0.0003768700000000, -0.0001636300000000 ] - [ -0.0009893800000000, 0.0000422600000000, -0.0008294800000000 ] - [ 0.0002042900000000, 0.0003179300000000, -0.0002114000000000 ] - [ 0.0000087400000000, 0.0002527200000000, -0.0003380000000000 ] - [ -0.0005500900000000, 0.0000230500000000, -0.0015227400000000 ] - [ -0.0000865400000000, 0.0001131700000000, 0.0000619700000000 ] - [ 0.0001212900000000, -0.0000797300000000, -0.0002205400000000 ] - [ 0.0002136500000000, -0.0003038100000000, -0.0014734000000000 ] - [ 0.0008897400000000, -0.0008406900000000, -0.0008787900000000 ] - [ 0.0000671400000000, 0.0002238400000000, -0.0001436700000000 ] - [ 0.0000302700000000, -0.0004443600000000, -0.0002916200000000 ] - [ -0.0003421800000000, 0.0000842400000000, -0.0002544600000000 ] - [ 0.0000314100000000, 0.0001858100000000, -0.0001561300000000 ] - [ -0.0001813200000000, -0.0002459200000000, 0.0001531100000000 ] - [ -0.0001199800000000, -0.0000218800000000, 0.0006699900000000 ] - [ -0.0002049900000000, -0.0002078700000000, 0.0000255800000000 ] - [ -0.0003770200000000, -0.0000473800000000, -0.0015556600000000 ] - [ -0.0000398700000000, -0.0000138700000000, -0.0004858400000000 ] - [ -0.0000086700000000, -0.0002274300000000, -0.0002584700000000 ] - [ -0.0000006100000000, 0.0003975700000000, -0.0003567900000000 ] - [ -0.0002443100000000, -0.0005693400000000, -0.0002259100000000 ] - [ 0.0000107800000000, -0.0001045500000000, -0.0000334100000000 ] - [ -0.0165718800000000, -0.0267528900000000, -0.0543806900000000 ] - [ -0.0003438900000000, -0.0000083200000000, 0.0000169000000000 ] - [ -0.0036187700000000, 0.0011731700000000, -0.0001860800000000 ] - [ 0.0003573200000000, 0.0000581200000000, 0.0002646900000000 ] - [ 0.0001342500000000, -0.0010465900000000, 0.0012645500000000 ] - [ -0.0000467000000000, 0.0000885200000000, 0.0001526000000000 ] - [ 0.0004121200000000, 0.0001304800000000, -0.0001864100000000 ] - [ -0.0018949100000000, -0.0003920200000000, -0.0005293900000000 ] - [ -0.0000243900000000, 0.0003989000000000, -0.0002840900000000 ] - [ -0.0000983400000000, 0.0008005700000000, 0.0000778000000000 ] - [ 0.0003840700000000, -0.0000252900000000, -0.0003204900000000 ] - [ 0.0001609900000000, 0.0002269400000000, -0.0003543600000000 ] - [ -0.0001614100000000, 0.0001821300000000, 0.0001849200000000 ] - [ 0.0001515700000000, -0.0000480000000000, 0.0006711100000000 ] - [ 0.0002740800000000, 0.0003545700000000, 0.0005989700000000 ] - [ -0.0001236400000000, -0.0003058800000000, 0.0010074000000000 ] - [ 0.0002367500000000, -0.0004579100000000, 0.0001012800000000 ] - [ -0.0004827200000000, 0.0012619000000000, 0.0064120200000000 ] - [ 0.0027212500000000, 0.0033295300000000, -0.0418000400000000 ] - [ -0.0008329200000000, 0.0005546900000000, -0.0071867700000000 ] - [ 0.0000460800000000, -0.0000533400000000, -0.0005841400000000 ] - [ -0.0008317200000000, -0.0003254100000000, -0.0000924200000000 ] - [ 0.0037384200000000, -0.0017712500000000, -0.0006942200000000 ] - [ -0.0002535800000000, 0.0002275900000000, -0.0002428300000000 ] - [ 0.0002530800000000, 0.0000864500000000, -0.0000190700000000 ] - [ -0.0002989900000000, 0.0002606100000000, 0.0001019600000000 ] - [ -0.0014686300000000, 0.0008962400000000, 0.0023546400000000 ] - [ -0.0002947800000000, 0.0002048700000000, 0.0001159400000000 ] - [ 0.0009531400000000, 0.0017256700000000, -0.0002076500000000 ] - [ -0.0007401800000000, -0.0015361900000000, -0.0003777600000000 ] - [ 0.0004653800000000, 0.0002776100000000, 0.0001872600000000 ] - [ 0.0000869300000000, -0.0008440600000000, -0.0002304000000000 ] - [ 0.0001682400000000, 0.0003653700000000, 0.0001394000000000 ] - [ 0.0007041700000000, 0.0013522700000000, 0.0089574700000000 ] - [ 0.0000037800000000, -0.0000592900000000, 0.0006700700000000 ] - [ 0.0008233700000000, -0.0000597800000000, 0.0022347700000000 ]- atom: 22 displacement: [ 0.0100000000000000, -0.0000000000071070, 0.0000000000000000 ] forces: - [ -0.0007203300000000, 0.0014025900000000, -0.0002413200000000 ] - [ -0.0004456200000000, -0.0003315900000000, -0.0000992900000000 ] - [ -0.0000991000000000, 0.0001490100000000, -0.0001320500000000 ] - [ 0.0005055200000000, -0.0005582900000000, -0.0007955900000000 ] - [ 0.0102629800000000, -0.0001925200000000, -0.0063524400000000 ] - [ 0.0003854800000000, -0.0004662500000000, 0.0002804400000000 ] - [ -0.0003029200000000, -0.0006385500000000, 0.0003778500000000 ] - [ -0.0004822600000000, 0.0006962800000000, 0.0001496400000000 ] - [ -0.0021850400000000, -0.0003546200000000, 0.0000276100000000 ] - [ -0.0009212500000000, -0.0003239000000000, 0.0002571900000000 ] - [ -0.0006228100000000, 0.0005105800000000, -0.0000332300000000 ] - [ 0.0023574700000000, 0.0029316700000000, 0.0003691600000000 ] - [ -0.0001947300000000, 0.0004187900000000, -0.0004023300000000 ] - [ 0.0010249800000000, -0.0005948600000000, 0.0017789000000000 ] - [ -0.0005767900000000, -0.0022443300000000, -0.0030246900000000 ] - [ 0.0005788100000000, 0.0007403800000000, -0.0000880600000000 ] - [ -0.0003401200000000, -0.0002858700000000, -0.0001453300000000 ] - [ -0.0007402300000000, 0.0001817700000000, -0.0000165600000000 ] - [ 0.0002248600000000, 0.0032658300000000, 0.0002139100000000 ] - [ 0.0010822800000000, 0.0002390800000000, -0.0000614300000000 ] - [ -0.0002641700000000, -0.0012957400000000, -0.0002435900000000 ] - [ -0.2051008700000000, 0.0129305600000000, -0.1122736000000000 ] - [ -0.0005480000000000, 0.0022702500000000, 0.0000082500000000 ] - [ -0.0002589400000000, -0.0024391100000000, 0.0005832100000000 ] - [ 0.0019781000000000, -0.0002340400000000, 0.0005331400000000 ] - [ 0.0010427800000000, 0.0010933300000000, 0.0005323800000000 ] - [ 0.0002481100000000, -0.0010396900000000, -0.0000476100000000 ] - [ 0.0011571600000000, -0.0014204700000000, -0.0001245400000000 ] - [ 0.0007047300000000, 0.0006127200000000, -0.0004118200000000 ] - [ 0.0000590100000000, 0.0013530900000000, 0.0010104500000000 ] - [ 0.0002416500000000, -0.0008107300000000, -0.0002161500000000 ] - [ -0.0002197500000000, 0.0011468800000000, -0.0003135100000000 ] - [ -0.0027160700000000, 0.0019765400000000, 0.0014622500000000 ] - [ 0.0000140300000000, -0.0009347600000000, 0.0000653900000000 ] - [ 0.0001524600000000, 0.0010052900000000, -0.0000390000000000 ] - [ -0.0023376400000000, 0.0019879600000000, -0.0019658700000000 ] - [ 0.0022502800000000, -0.0027006200000000, -0.0031441900000000 ] - [ 0.0013305600000000, -0.0005108900000000, 0.0000503400000000 ] - [ 0.0002780100000000, 0.0004316300000000, -0.0001110100000000 ] - [ -0.0005871500000000, -0.0005084200000000, 0.0002327300000000 ] - [ 0.0005682300000000, -0.0001052900000000, 0.0000248000000000 ] - [ 0.0001684300000000, 0.0006312900000000, 0.0004622200000000 ] - [ 0.0023710900000000, 0.0011900800000000, 0.0009755700000000 ] - [ 0.0010393400000000, -0.0002203500000000, 0.0002100300000000 ] - [ 0.0008498400000000, 0.0001764000000000, -0.0001927200000000 ] - [ 0.0007550900000000, -0.0002678300000000, -0.0000116600000000 ] - [ -0.0003162500000000, -0.0010989200000000, 0.0005019100000000 ] - [ 0.0000404500000000, 0.0008733500000000, -0.0005575100000000 ] - [ -0.0012000200000000, -0.0000741900000000, 0.0001709600000000 ] - [ 0.0106013700000000, 0.0109082500000000, 0.0143953100000000 ] - [ 0.0075528600000000, 0.0131652500000000, 0.0011926200000000 ] - [ 0.0093170200000000, -0.0093794900000000, -0.0060421900000000 ] - [ -0.0000329700000000, -0.0008441900000000, -0.0001493700000000 ] - [ 0.0018097700000000, 0.0020736200000000, -0.0005144100000000 ] - [ 0.0011787500000000, 0.0005142700000000, -0.0002716000000000 ] - [ 0.0013419400000000, -0.0021008500000000, 0.0008509600000000 ] - [ 0.0020938300000000, 0.0004433100000000, -0.0007241700000000 ] - [ 0.0004753500000000, 0.0003111800000000, -0.0001429500000000 ] - [ 0.0002376300000000, -0.0004873900000000, 0.0003576200000000 ] - [ 0.0015693300000000, 0.0002571400000000, 0.0005542900000000 ] - [ 0.0030266800000000, -0.0013961800000000, 0.0000777000000000 ] - [ 0.0002857300000000, 0.0011007000000000, -0.0001125300000000 ] - [ 0.0099673000000000, -0.0103382600000000, 0.0106914400000000 ] - [ 0.0015228400000000, -0.0003521400000000, 0.0005023900000000 ] - [ 0.0007005400000000, 0.0001562600000000, -0.0002290100000000 ] - [ 0.0015053600000000, -0.0003549600000000, -0.0015311900000000 ] - [ -0.0004212400000000, -0.0012895800000000, 0.0001532700000000 ] - [ -0.0034486900000000, 0.0004927100000000, 0.0020619500000000 ] - [ -0.0004217000000000, 0.0013696900000000, -0.0003889900000000 ] - [ 0.0007568200000000, -0.0001591400000000, 0.0001081400000000 ] - [ 0.0012802800000000, -0.0001610500000000, -0.0000995300000000 ] - [ 0.0007132000000000, 0.0004982100000000, -0.0009181300000000 ] - [ -0.0014589500000000, -0.0000881700000000, 0.0003113800000000 ] - [ 0.0000083200000000, -0.0004952600000000, 0.0003660100000000 ] - [ 0.0018368200000000, 0.0007376200000000, 0.0003652400000000 ] - [ 0.0001408300000000, 0.0009222000000000, 0.0003458900000000 ] - [ 0.0003271400000000, 0.0007901600000000, -0.0008323100000000 ] - [ 0.0000183900000000, -0.0008306100000000, 0.0000747500000000 ] - [ -0.0004008100000000, -0.0002679900000000, 0.0001241500000000 ] - [ -0.0007678000000000, -0.0001760300000000, 0.0015345700000000 ] - [ -0.0005440900000000, 0.0000527600000000, 0.0002393400000000 ] - [ 0.0007864800000000, 0.0017889900000000, -0.0033971600000000 ] - [ 0.0039949700000000, -0.0006876100000000, 0.0086862000000000 ] - [ -0.0002403700000000, -0.0002987400000000, 0.0001360700000000 ] - [ 0.0003598600000000, 0.0007770200000000, -0.0000673900000000 ] - [ -0.0010355500000000, -0.0006274800000000, 0.0008093600000000 ] - [ 0.0009234300000000, -0.0007704600000000, -0.0002671600000000 ] - [ -0.0005983300000000, 0.0016690100000000, 0.0004236900000000 ] - [ -0.0093237400000000, 0.0000733700000000, -0.0016284100000000 ] - [ -0.0002174500000000, -0.0024613900000000, -0.0013742600000000 ] - [ -0.0005985700000000, -0.0013148300000000, -0.0007447300000000 ] - [ -0.0007156300000000, 0.0004174600000000, 0.0000994000000000 ] - [ 0.0030595900000000, 0.0018501100000000, 0.0002964700000000 ] - [ -0.0007883600000000, 0.0010854800000000, 0.0002636800000000 ] - [ -0.0012340600000000, -0.0005925100000000, -0.0002569800000000 ] - [ -0.0012384600000000, -0.0003232700000000, -0.0004103600000000 ] - [ -0.0070623500000000, 0.0007754600000000, 0.0002871900000000 ] - [ -0.0007936800000000, -0.0010178600000000, 0.0002746000000000 ] - [ -0.0025025100000000, -0.0003625700000000, 0.0003452900000000 ] - [ 0.0548406400000000, -0.0069565300000000, 0.0009041800000000 ] - [ -0.0028186500000000, -0.0060791100000000, 0.0044667200000000 ] - [ 0.0011308700000000, 0.0016153100000000, 0.0001415400000000 ] - [ -0.0009150400000000, 0.0010156000000000, 0.0008224700000000 ] - [ 0.0023819200000000, -0.0000169000000000, -0.0017344500000000 ] - [ 0.0007001400000000, -0.0008239000000000, -0.0001262800000000 ] - [ -0.0008077500000000, -0.0010263000000000, -0.0001788400000000 ] - [ -0.0000219800000000, 0.0009175000000000, 0.0000937900000000 ] - [ 0.0008618900000000, -0.0006396800000000, 0.0014329400000000 ] - [ 0.0064422300000000, -0.0111509700000000, -0.0000425700000000 ] - [ -0.0015743600000000, -0.0023716600000000, 0.0001960600000000 ] - [ -0.0004864900000000, 0.0014282700000000, -0.0001570100000000 ] - [ -0.0032575000000000, 0.0011774600000000, 0.0021838600000000 ] - [ -0.0011878800000000, -0.0012464800000000, 0.0000364300000000 ] - [ -0.0031961700000000, 0.0009259100000000, -0.0005187500000000 ] - [ -0.0034112000000000, -0.0011858200000000, 0.0000801100000000 ] - [ -0.0012939200000000, 0.0021189200000000, -0.0017039600000000 ] - [ -0.0017326300000000, -0.0009677700000000, 0.0004243700000000 ] - [ -0.0030521400000000, 0.0092639100000000, -0.0005259800000000 ] - [ 0.1073493300000000, -0.0041408600000000, 0.0960446500000000 ] - [ 0.0013977200000000, -0.0023060800000000, -0.0003740800000000 ] - [ 0.0008667800000000, 0.0016054200000000, -0.0004799800000000 ] - [ 0.0036084000000000, -0.0031650500000000, -0.0068318500000000 ] - [ -0.0005596900000000, -0.0025007300000000, 0.0017543100000000 ] - [ -0.0006822900000000, -0.0015246900000000, 0.0000972100000000 ] - [ -0.0008772800000000, 0.0008103400000000, 0.0000481900000000 ] - [ 0.0022562600000000, 0.0016081000000000, -0.0011124300000000 ]- atom: 22 displacement: [ -0.0100000000000000, 0.0000000000071070, 0.0000000000000000 ] forces: - [ 0.0006866200000000, -0.0013434400000000, 0.0005360700000000 ] - [ 0.0001778700000000, 0.0005058500000000, -0.0001240900000000 ] - [ 0.0000028500000000, -0.0004825000000000, -0.0000939800000000 ] - [ -0.0002148400000000, 0.0006165900000000, 0.0005676000000000 ] - [ -0.0102567000000000, 0.0001858400000000, 0.0064448500000000 ] - [ -0.0003154000000000, 0.0005558800000000, 0.0000208200000000 ] - [ 0.0002973300000000, 0.0007619700000000, -0.0003769200000000 ] - [ 0.0002689000000000, -0.0005441200000000, -0.0001081600000000 ] - [ 0.0020776700000000, 0.0000802100000000, 0.0000088400000000 ] - [ 0.0011580900000000, 0.0003403500000000, -0.0002217800000000 ] - [ 0.0005869000000000, -0.0005309800000000, 0.0000307600000000 ] - [ -0.0022313800000000, -0.0028998300000000, -0.0003637900000000 ] - [ 0.0001759700000000, -0.0002858800000000, 0.0003490800000000 ] - [ -0.0012762300000000, 0.0007673100000000, -0.0019608900000000 ] - [ 0.0004681200000000, 0.0019440700000000, 0.0028387400000000 ] - [ -0.0003071800000000, -0.0007099200000000, -0.0000911200000000 ] - [ 0.0003068000000000, 0.0002451200000000, 0.0000888100000000 ] - [ 0.0008687100000000, -0.0001416500000000, -0.0000282200000000 ] - [ -0.0001512800000000, -0.0032607200000000, -0.0001280400000000 ] - [ -0.0011227500000000, -0.0001868600000000, 0.0001368000000000 ] - [ 0.0002381100000000, 0.0012307300000000, 0.0003191400000000 ] - [ 0.2079539100000000, -0.0137179500000000, 0.1082519900000000 ] - [ 0.0009910500000000, -0.0021408600000000, -0.0003571100000000 ] - [ -0.0000751400000000, 0.0027539200000000, -0.0009319400000000 ] - [ -0.0019088100000000, -0.0000618800000000, 0.0000277400000000 ] - [ -0.0013289000000000, -0.0009997600000000, 0.0000340300000000 ] - [ -0.0000021600000000, 0.0006696500000000, -0.0001819100000000 ] - [ -0.0009259600000000, 0.0016088300000000, 0.0006821900000000 ] - [ -0.0011043300000000, -0.0005941300000000, 0.0001838300000000 ] - [ 0.0001349900000000, -0.0009501700000000, -0.0012384200000000 ] - [ 0.0001188700000000, 0.0003702000000000, 0.0001446100000000 ] - [ -0.0003503800000000, -0.0012194900000000, 0.0002391000000000 ] - [ 0.0029254600000000, -0.0014464200000000, -0.0015282600000000 ] - [ -0.0001808400000000, 0.0005340500000000, -0.0000851300000000 ] - [ -0.0003973900000000, -0.0007098800000000, 0.0000155400000000 ] - [ 0.0027109300000000, -0.0019135200000000, 0.0019392300000000 ] - [ -0.0023625900000000, 0.0028985100000000, 0.0028480500000000 ] - [ -0.0010683500000000, 0.0004933800000000, -0.0003165900000000 ] - [ -0.0004009900000000, -0.0007174500000000, -0.0001565400000000 ] - [ 0.0004902400000000, 0.0006328900000000, -0.0001565400000000 ] - [ -0.0004077700000000, 0.0001261700000000, 0.0000518700000000 ] - [ -0.0002017500000000, -0.0007385000000000, -0.0003729300000000 ] - [ -0.0023221900000000, -0.0011763000000000, -0.0009098800000000 ] - [ -0.0010693300000000, 0.0002493900000000, -0.0001542500000000 ] - [ -0.0008573500000000, -0.0002242200000000, 0.0002495500000000 ] - [ -0.0008475900000000, -0.0001810000000000, -0.0003213300000000 ] - [ 0.0007530300000000, 0.0012387200000000, -0.0008345500000000 ] - [ -0.0003842200000000, -0.0005687400000000, 0.0002183600000000 ] - [ 0.0012632100000000, -0.0002116000000000, 0.0004123700000000 ] - [ -0.0106822500000000, -0.0105679800000000, -0.0135338300000000 ] - [ -0.0074137400000000, -0.0136408100000000, -0.0014711800000000 ] - [ -0.0091847700000000, 0.0096253900000000, 0.0066936100000000 ] - [ -0.0003557900000000, 0.0008544500000000, -0.0001046800000000 ] - [ -0.0016228200000000, -0.0016726900000000, 0.0002555200000000 ] - [ -0.0008458200000000, -0.0009798900000000, 0.0002171800000000 ] - [ -0.0019210600000000, 0.0020636900000000, -0.0009115900000000 ] - [ -0.0018517200000000, 0.0000756400000000, 0.0006751900000000 ] - [ -0.0006439100000000, -0.0007142300000000, 0.0001994700000000 ] - [ -0.0004890400000000, 0.0007885400000000, -0.0003032900000000 ] - [ -0.0012002300000000, -0.0001926300000000, -0.0005088300000000 ] - [ -0.0031513900000000, 0.0016308700000000, -0.0003110400000000 ] - [ -0.0000186200000000, -0.0011230400000000, -0.0001176300000000 ] - [ -0.0099643800000000, 0.0098229900000000, -0.0107047900000000 ] - [ -0.0016267100000000, 0.0004585800000000, -0.0004306100000000 ] - [ -0.0005469500000000, -0.0001145100000000, 0.0002963300000000 ] - [ -0.0015142200000000, 0.0002391700000000, 0.0016075100000000 ] - [ 0.0004685300000000, 0.0013007500000000, -0.0000167800000000 ] - [ 0.0034203700000000, -0.0004618700000000, -0.0019554900000000 ] - [ 0.0004107100000000, -0.0014142400000000, 0.0005156900000000 ] - [ -0.0008457700000000, -0.0002836600000000, -0.0004560200000000 ] - [ -0.0008450300000000, 0.0002998300000000, -0.0002512000000000 ] - [ -0.0010548100000000, -0.0002009500000000, 0.0005633800000000 ] - [ 0.0015093800000000, -0.0001922700000000, 0.0002256000000000 ] - [ -0.0002796800000000, 0.0005923300000000, 0.0001817500000000 ] - [ -0.0015834300000000, -0.0010910700000000, -0.0005667100000000 ] - [ 0.0000860100000000, -0.0007460100000000, 0.0001902800000000 ] - [ -0.0007174400000000, -0.0007802700000000, 0.0006325500000000 ] - [ 0.0001612600000000, 0.0012281300000000, -0.0002775100000000 ] - [ 0.0007342500000000, -0.0001924000000000, -0.0001359000000000 ] - [ 0.0002000100000000, 0.0001230500000000, -0.0015431800000000 ] - [ 0.0007648000000000, 0.0004664200000000, -0.0002363700000000 ] - [ -0.0009525700000000, -0.0021705200000000, 0.0034008600000000 ] - [ -0.0042854400000000, 0.0009977700000000, -0.0086969400000000 ] - [ 0.0005899700000000, 0.0003582200000000, -0.0001281900000000 ] - [ -0.0004791200000000, -0.0005413700000000, -0.0001979700000000 ] - [ 0.0012991000000000, 0.0006193600000000, -0.0010784400000000 ] - [ -0.0010575800000000, 0.0004754300000000, -0.0000000900000000 ] - [ 0.0004897100000000, -0.0015506000000000, -0.0003028000000000 ] - [ 0.0094021500000000, -0.0000357100000000, 0.0016965800000000 ] - [ 0.0002022700000000, 0.0023562000000000, 0.0015058600000000 ] - [ 0.0002729600000000, 0.0015362400000000, 0.0008321600000000 ] - [ 0.0006583200000000, -0.0008144500000000, -0.0000130700000000 ] - [ -0.0026943000000000, -0.0016976600000000, -0.0002071700000000 ] - [ 0.0006099500000000, -0.0009277800000000, -0.0002044500000000 ] - [ 0.0011880800000000, 0.0003621700000000, 0.0003150500000000 ] - [ 0.0014702700000000, 0.0004088500000000, 0.0004616000000000 ] - [ 0.0067261400000000, -0.0005977300000000, -0.0002283600000000 ] - [ 0.0007698100000000, 0.0006474300000000, -0.0002125800000000 ] - [ 0.0028140800000000, 0.0005358000000000, -0.0002808100000000 ] - [ -0.0594435600000000, 0.0076689700000000, -0.0012346100000000 ] - [ 0.0028087600000000, 0.0057457200000000, -0.0043684400000000 ] - [ -0.0008462700000000, -0.0014566000000000, -0.0000753700000000 ] - [ 0.0005801000000000, -0.0008304800000000, -0.0007081800000000 ] - [ -0.0023705400000000, -0.0003683800000000, 0.0018848700000000 ] - [ -0.0003756200000000, 0.0010035500000000, 0.0002420000000000 ] - [ 0.0005684600000000, 0.0011829100000000, 0.0001910700000000 ] - [ 0.0000078900000000, -0.0011989200000000, -0.0000815100000000 ] - [ -0.0006017800000000, 0.0007730400000000, -0.0014222700000000 ] - [ -0.0060835300000000, 0.0111830200000000, -0.0001922200000000 ] - [ 0.0013570000000000, 0.0026728200000000, -0.0004186700000000 ] - [ 0.0003076400000000, -0.0017658900000000, -0.0000727500000000 ] - [ 0.0028449500000000, -0.0014592300000000, -0.0019785100000000 ] - [ 0.0016145700000000, 0.0010578200000000, 0.0001688100000000 ] - [ 0.0031394000000000, -0.0004254800000000, 0.0007195100000000 ] - [ 0.0037964700000000, 0.0012146900000000, -0.0003058700000000 ] - [ 0.0010760200000000, -0.0018185700000000, 0.0014796400000000 ] - [ 0.0015627000000000, 0.0006214500000000, -0.0006554000000000 ] - [ 0.0026390300000000, -0.0095024700000000, 0.0007938500000000 ] - [ -0.1055379400000000, 0.0037556700000000, -0.0919409300000000 ] - [ -0.0014113600000000, 0.0027743600000000, 0.0006331700000000 ] - [ -0.0004722800000000, -0.0015715600000000, 0.0003191600000000 ] - [ -0.0038289700000000, 0.0034565600000000, 0.0066634000000000 ] - [ 0.0003865600000000, 0.0021537000000000, -0.0019158100000000 ] - [ 0.0002815600000000, 0.0012717800000000, 0.0001099900000000 ] - [ 0.0012705700000000, -0.0010089000000000, 0.0001666700000000 ] - [ -0.0022732400000000, -0.0011444400000000, 0.0013221300000000 ]- atom: 22 displacement: [ -0.0049999999943570, 0.0086602540411024, 0.0000000000000000 ] forces: - [ 0.0007228700000000, -0.0008373700000000, 0.0005611200000000 ] - [ -0.0000890200000000, 0.0000745400000000, -0.0000970000000000 ] - [ 0.0001443300000000, -0.0005907200000000, -0.0001323300000000 ] - [ -0.0004658800000000, 0.0004614100000000, -0.0002998000000000 ] - [ -0.0055398500000000, 0.0035642000000000, 0.0037020600000000 ] - [ -0.0001999900000000, -0.0002034300000000, 0.0002840900000000 ] - [ -0.0002184500000000, -0.0000517300000000, -0.0000020000000000 ] - [ 0.0002496400000000, -0.0004464000000000, -0.0001062800000000 ] - [ 0.0003240800000000, 0.0002014600000000, 0.0000184300000000 ] - [ 0.0005532200000000, 0.0005302400000000, -0.0000434200000000 ] - [ 0.0003448900000000, -0.0005450100000000, 0.0000022000000000 ] - [ -0.0006866400000000, -0.0029277100000000, 0.0001903800000000 ] - [ 0.0002497900000000, 0.0000825600000000, 0.0002221300000000 ] - [ -0.0007975300000000, 0.0012012100000000, -0.0013231400000000 ] - [ -0.0001301000000000, 0.0001906100000000, 0.0001906300000000 ] - [ 0.0000442500000000, -0.0007133200000000, -0.0002056700000000 ] - [ 0.0001786900000000, 0.0000273300000000, 0.0000451400000000 ] - [ 0.0005106100000000, 0.0000149100000000, -0.0000199100000000 ] - [ 0.0010174100000000, -0.0003579600000000, 0.0002657600000000 ] - [ -0.0003053700000000, 0.0001662600000000, 0.0000344300000000 ] - [ -0.0005629100000000, 0.0017952600000000, 0.0002294300000000 ] - [ 0.1153174100000000, -0.0347295500000000, 0.0607964000000000 ] - [ 0.0007939200000000, 0.0002805400000000, 0.0001242900000000 ] - [ -0.0006444400000000, 0.0021975500000000, -0.0006045600000000 ] - [ -0.0010126500000000, -0.0002559300000000, 0.0001407100000000 ] - [ -0.0004754500000000, -0.0003684600000000, 0.0003125000000000 ] - [ -0.0002452500000000, 0.0007844600000000, -0.0001730700000000 ] - [ -0.0009838100000000, 0.0011369700000000, 0.0005694800000000 ] - [ 0.0001887700000000, -0.0001579400000000, -0.0003045300000000 ] - [ 0.0001151900000000, -0.0013384400000000, -0.0005979100000000 ] - [ 0.0000982400000000, 0.0006123200000000, 0.0002067500000000 ] - [ -0.0002860700000000, 0.0000217300000000, -0.0000574400000000 ] - [ 0.0023599400000000, 0.0012333400000000, 0.0003903200000000 ] - [ -0.0002597700000000, 0.0007057300000000, -0.0001416900000000 ] - [ -0.0001064100000000, 0.0001635700000000, 0.0000646000000000 ] - [ 0.0031943900000000, 0.0020509500000000, -0.0003885800000000 ] - [ -0.0038466500000000, 0.0013894100000000, 0.0027021000000000 ] - [ -0.0007173600000000, 0.0002022500000000, -0.0002825700000000 ] - [ -0.0000320100000000, -0.0000445500000000, -0.0001539400000000 ] - [ 0.0000125200000000, 0.0005453700000000, 0.0002050100000000 ] - [ -0.0001176900000000, 0.0002159600000000, 0.0000647700000000 ] - [ 0.0001819400000000, -0.0000607600000000, 0.0000642500000000 ] - [ -0.0015906000000000, -0.0017490900000000, -0.0006648200000000 ] - [ -0.0009157800000000, 0.0003829300000000, -0.0001526200000000 ] - [ -0.0003243600000000, -0.0006389000000000, 0.0002378700000000 ] - [ -0.0003950500000000, -0.0000367500000000, -0.0001991900000000 ] - [ 0.0002931300000000, 0.0011318600000000, -0.0008860600000000 ] - [ 0.0002027000000000, 0.0003179000000000, -0.0003879100000000 ] - [ 0.0004848000000000, 0.0003931600000000, 0.0004801600000000 ] - [ 0.0032346400000000, -0.0072026900000000, 0.0009403500000000 ] - [ -0.0001114300000000, -0.0054271100000000, -0.0001776800000000 ] - [ -0.0078227000000000, 0.0062257800000000, 0.0055682900000000 ] - [ -0.0008580700000000, 0.0010007700000000, -0.0001000000000000 ] - [ 0.0001169000000000, -0.0000532800000000, -0.0000548700000000 ] - [ -0.0000790900000000, -0.0006027300000000, -0.0000912900000000 ] - [ -0.0019316300000000, 0.0018121500000000, -0.0008729400000000 ] - [ -0.0009047500000000, -0.0000903600000000, 0.0003561800000000 ] - [ -0.0002621800000000, -0.0005230500000000, 0.0000165100000000 ] - [ -0.0004840100000000, 0.0006189200000000, -0.0002678300000000 ] - [ -0.0005369800000000, -0.0003746300000000, -0.0002492200000000 ] - [ -0.0025664300000000, 0.0011654100000000, -0.0002383900000000 ] - [ 0.0003081100000000, 0.0003635300000000, -0.0000329200000000 ] - [ -0.0144387400000000, 0.0035858600000000, -0.0118839800000000 ] - [ -0.0008523100000000, -0.0000550800000000, -0.0002574900000000 ] - [ -0.0003077800000000, 0.0001430700000000, 0.0001030600000000 ] - [ -0.0013253500000000, -0.0006975900000000, 0.0010393000000000 ] - [ 0.0001422900000000, 0.0009306700000000, -0.0000535300000000 ] - [ 0.0019587400000000, -0.0010877400000000, -0.0011958800000000 ] - [ 0.0002676100000000, -0.0001922000000000, -0.0000870800000000 ] - [ -0.0004831900000000, -0.0000862600000000, -0.0002940900000000 ] - [ -0.0003709500000000, -0.0000248200000000, -0.0002846600000000 ] - [ -0.0011268100000000, -0.0007731700000000, 0.0006680800000000 ] - [ 0.0008181900000000, -0.0003459600000000, 0.0000857500000000 ] - [ -0.0001621300000000, 0.0007369100000000, 0.0001815800000000 ] - [ 0.0000110600000000, -0.0007567000000000, -0.0000693600000000 ] - [ 0.0001376000000000, 0.0001604000000000, 0.0002354100000000 ] - [ 0.0001771200000000, -0.0008557600000000, -0.0000274800000000 ] - [ -0.0000228900000000, 0.0011775100000000, -0.0002607300000000 ] - [ 0.0003181000000000, -0.0006023200000000, -0.0004900000000000 ] - [ 0.0000673100000000, -0.0002986700000000, -0.0009595600000000 ] - [ 0.0002807200000000, 0.0006157300000000, -0.0000746300000000 ] - [ 0.0011804600000000, -0.0005510500000000, -0.0007585600000000 ] - [ -0.0033483300000000, -0.0003263000000000, -0.0065736900000000 ] - [ 0.0001658700000000, 0.0006079000000000, -0.0003067800000000 ] - [ 0.0001458700000000, 0.0002410900000000, -0.0001526300000000 ] - [ 0.0009152400000000, -0.0002279800000000, -0.0008754800000000 ] - [ -0.0007877000000000, 0.0003208400000000, 0.0000037200000000 ] - [ 0.0002512400000000, -0.0000681100000000, 0.0002350900000000 ] - [ 0.0048310700000000, -0.0043980100000000, 0.0007349100000000 ] - [ -0.0000889000000000, 0.0016770600000000, 0.0012586900000000 ] - [ -0.0004164400000000, -0.0000470200000000, -0.0000096700000000 ] - [ 0.0002413900000000, -0.0008314700000000, 0.0000824300000000 ] - [ -0.0000050100000000, -0.0020632100000000, -0.0009599900000000 ] - [ 0.0004566000000000, -0.0008529300000000, -0.0001747300000000 ] - [ 0.0005546200000000, 0.0004257000000000, 0.0000760600000000 ] - [ 0.0006744900000000, 0.0008707400000000, 0.0002344600000000 ] - [ 0.0064110800000000, 0.0011408600000000, -0.0003637000000000 ] - [ 0.0005230000000000, -0.0002611200000000, -0.0001297100000000 ] - [ 0.0018555900000000, 0.0008012100000000, -0.0001546300000000 ] - [ -0.0329691500000000, 0.0062601400000000, -0.0010229400000000 ] - [ -0.0017632200000000, 0.0005625500000000, -0.0005995300000000 ] - [ -0.0000007700000000, -0.0017110900000000, 0.0001419700000000 ] - [ 0.0004931300000000, -0.0003724300000000, -0.0006111900000000 ] - [ -0.0012556100000000, 0.0005202800000000, 0.0011695100000000 ] - [ -0.0001158700000000, -0.0000795400000000, 0.0000284600000000 ] - [ 0.0000562200000000, 0.0002505200000000, -0.0000009800000000 ] - [ 0.0002352800000000, -0.0013376400000000, 0.0000237100000000 ] - [ -0.0012739700000000, 0.0004837300000000, 0.0009002900000000 ] - [ -0.0072601900000000, 0.0010274700000000, -0.0013935900000000 ] - [ 0.0000836300000000, 0.0001925400000000, -0.0001470800000000 ] - [ 0.0009879200000000, -0.0025152000000000, -0.0001547700000000 ] - [ 0.0033021500000000, 0.0001239900000000, -0.0012488200000000 ] - [ 0.0007879000000000, 0.0000521000000000, 0.0001815800000000 ] - [ 0.0018478500000000, 0.0002132100000000, 0.0004526200000000 ] - [ 0.0015931900000000, 0.0018241800000000, -0.0004824400000000 ] - [ 0.0010126100000000, -0.0016202100000000, 0.0014016900000000 ] - [ 0.0000704500000000, 0.0007667000000000, -0.0001433600000000 ] - [ 0.0029178800000000, -0.0071841000000000, 0.0002080000000000 ] - [ -0.0576589600000000, 0.0312288000000000, -0.0533611600000000 ] - [ -0.0008534000000000, -0.0004253300000000, -0.0004811100000000 ] - [ 0.0003599800000000, -0.0015481300000000, 0.0003381300000000 ] - [ -0.0024640900000000, 0.0039135700000000, 0.0044961200000000 ] - [ -0.0006864500000000, 0.0000171600000000, 0.0007644200000000 ] - [ -0.0005169300000000, -0.0002787900000000, 0.0002648800000000 ] - [ 0.0007422400000000, -0.0010534700000000, 0.0000395600000000 ] - [ -0.0010565300000000, -0.0002777200000000, 0.0010187600000000 ]- atom: 22 displacement: [ 0.0049999999943570, -0.0086602540411024, 0.0000000000000000 ] forces: - [ -0.0007523200000000, 0.0008927400000000, -0.0002632500000000 ] - [ -0.0001779800000000, 0.0001006000000000, -0.0001266000000000 ] - [ -0.0002396700000000, 0.0002565900000000, -0.0000931400000000 ] - [ 0.0007578700000000, -0.0004027200000000, 0.0000710900000000 ] - [ 0.0055270200000000, -0.0035041700000000, -0.0034082800000000 ] - [ 0.0002669400000000, 0.0002937300000000, 0.0000179600000000 ] - [ 0.0002136500000000, 0.0001773900000000, 0.0000036800000000 ] - [ -0.0004644300000000, 0.0005973900000000, 0.0001479600000000 ] - [ -0.0004318300000000, -0.0004733200000000, 0.0000188500000000 ] - [ -0.0003115200000000, -0.0005146800000000, 0.0000767600000000 ] - [ -0.0003775500000000, 0.0005233300000000, -0.0000040700000000 ] - [ 0.0008057200000000, 0.0029676200000000, -0.0001912500000000 ] - [ -0.0002703700000000, 0.0000482100000000, -0.0002747300000000 ] - [ 0.0005498700000000, -0.0010221300000000, 0.0011393300000000 ] - [ 0.0000242300000000, -0.0004811000000000, -0.0003540600000000 ] - [ 0.0002266600000000, 0.0007425700000000, 0.0000258200000000 ] - [ -0.0002127100000000, -0.0000674300000000, -0.0001013400000000 ] - [ -0.0003804000000000, 0.0000250500000000, -0.0000244700000000 ] - [ -0.0009480000000000, 0.0003707300000000, -0.0001832700000000 ] - [ 0.0002563100000000, -0.0001154200000000, 0.0000412900000000 ] - [ 0.0005372500000000, -0.0018616200000000, -0.0001554400000000 ] - [ -0.1142430500000000, 0.0340709700000000, -0.0617291500000000 ] - [ -0.0003415000000000, -0.0001621300000000, -0.0004715400000000 ] - [ 0.0003063500000000, -0.0018745300000000, 0.0002560200000000 ] - [ 0.0010781200000000, -0.0000390200000000, 0.0004191100000000 ] - [ 0.0001907400000000, 0.0004619100000000, 0.0002557800000000 ] - [ 0.0004890900000000, -0.0011502600000000, -0.0000567200000000 ] - [ 0.0012163500000000, -0.0009462500000000, -0.0000114100000000 ] - [ -0.0005900000000000, 0.0001762200000000, 0.0000784700000000 ] - [ 0.0000782900000000, 0.0017324300000000, 0.0003691300000000 ] - [ 0.0002596200000000, -0.0010540300000000, -0.0002803600000000 ] - [ -0.0002840500000000, -0.0000985600000000, -0.0000161000000000 ] - [ -0.0021650300000000, -0.0007057200000000, -0.0004630100000000 ] - [ 0.0000917900000000, -0.0011052700000000, 0.0001250700000000 ] - [ -0.0001400800000000, 0.0001286100000000, -0.0000887400000000 ] - [ -0.0028490000000000, -0.0020044300000000, 0.0003715100000000 ] - [ 0.0037547100000000, -0.0011796600000000, -0.0029999700000000 ] - [ 0.0009765200000000, -0.0002167200000000, 0.0000157800000000 ] - [ -0.0000889100000000, -0.0002451700000000, -0.0001131500000000 ] - [ -0.0001081300000000, -0.0004210100000000, -0.0001260800000000 ] - [ 0.0002741600000000, -0.0001953900000000, 0.0000131900000000 ] - [ -0.0002155200000000, -0.0000468800000000, 0.0000258900000000 ] - [ 0.0016410500000000, 0.0017737000000000, 0.0007327800000000 ] - [ 0.0008867100000000, -0.0003537900000000, 0.0002076100000000 ] - [ 0.0003147700000000, 0.0005890500000000, -0.0001791000000000 ] - [ 0.0002986500000000, -0.0004118700000000, -0.0001365000000000 ] - [ 0.0001447800000000, -0.0009946800000000, 0.0005519800000000 ] - [ -0.0005472700000000, -0.0000160000000000, 0.0000494800000000 ] - [ -0.0004125900000000, -0.0006778400000000, 0.0001041200000000 ] - [ -0.0035712800000000, 0.0072812000000000, -0.0004034500000000 ] - [ 0.0003587800000000, 0.0050829300000000, -0.0000762200000000 ] - [ 0.0079706600000000, -0.0060144700000000, -0.0049253900000000 ] - [ 0.0004732800000000, -0.0009880100000000, -0.0001541800000000 ] - [ 0.0000582000000000, 0.0004403700000000, -0.0001998300000000 ] - [ 0.0004107300000000, 0.0001346600000000, 0.0000337800000000 ] - [ 0.0013574800000000, -0.0018519600000000, 0.0008117200000000 ] - [ 0.0011402600000000, 0.0006104700000000, -0.0004052900000000 ] - [ 0.0000919500000000, 0.0001183200000000, 0.0000407600000000 ] - [ 0.0002341700000000, -0.0003170300000000, 0.0003236600000000 ] - [ 0.0009015400000000, 0.0004411900000000, 0.0002927300000000 ] - [ 0.0024363800000000, -0.0009298600000000, 0.0000081100000000 ] - [ -0.0000395100000000, -0.0003878800000000, -0.0001966000000000 ] - [ 0.0146049500000000, -0.0040103700000000, 0.0119115900000000 ] - [ 0.0007448100000000, 0.0001592300000000, 0.0003275900000000 ] - [ 0.0004619200000000, -0.0001016600000000, -0.0000341600000000 ] - [ 0.0013171600000000, 0.0005921100000000, -0.0009627600000000 ] - [ -0.0000934400000000, -0.0009162600000000, 0.0001888100000000 ] - [ -0.0019811800000000, 0.0011149000000000, 0.0013097500000000 ] - [ -0.0002755200000000, 0.0001386600000000, 0.0002162300000000 ] - [ 0.0003937900000000, -0.0003551500000000, -0.0000545000000000 ] - [ 0.0008032800000000, 0.0001626100000000, -0.0000685700000000 ] - [ 0.0007891200000000, 0.0010746000000000, -0.0010244400000000 ] - [ -0.0007668900000000, 0.0000649700000000, 0.0004517800000000 ] - [ -0.0001098300000000, -0.0006399100000000, 0.0003643500000000 ] - [ 0.0002260700000000, 0.0004039900000000, -0.0001375800000000 ] - [ 0.0000886800000000, 0.0000125500000000, 0.0003008500000000 ] - [ -0.0005660100000000, 0.0008658300000000, -0.0001727600000000 ] - [ 0.0002013600000000, -0.0007829500000000, 0.0000588900000000 ] - [ 0.0000179000000000, 0.0001446000000000, 0.0004772600000000 ] - [ -0.0006343400000000, 0.0002441800000000, 0.0009478900000000 ] - [ -0.0000556000000000, -0.0000973000000000, 0.0000740000000000 ] - [ -0.0013488200000000, 0.0001540700000000, 0.0007877300000000 ] - [ 0.0030810100000000, 0.0006217800000000, 0.0065532400000000 ] - [ 0.0001850000000000, -0.0005471300000000, 0.0003135100000000 ] - [ -0.0002691000000000, -0.0000080900000000, -0.0001123700000000 ] - [ -0.0006482500000000, 0.0002222200000000, 0.0006091100000000 ] - [ 0.0006508700000000, -0.0006175500000000, -0.0002706000000000 ] - [ -0.0003536400000000, 0.0001735300000000, -0.0001153400000000 ] - [ -0.0047041300000000, 0.0044419700000000, -0.0006469200000000 ] - [ 0.0000714200000000, -0.0017806600000000, -0.0011232100000000 ] - [ 0.0000903800000000, 0.0002708400000000, 0.0000964700000000 ] - [ -0.0002938000000000, 0.0004338500000000, 0.0000028100000000 ] - [ 0.0003655600000000, 0.0022212700000000, 0.0010574100000000 ] - [ -0.0006358900000000, 0.0010090900000000, 0.0002335000000000 ] - [ -0.0005990200000000, -0.0006537700000000, -0.0000192300000000 ] - [ -0.0004393500000000, -0.0007878200000000, -0.0001818000000000 ] - [ -0.0067574200000000, -0.0009799900000000, 0.0004292200000000 ] - [ -0.0005482600000000, -0.0001074900000000, 0.0001922200000000 ] - [ -0.0015368700000000, -0.0006270600000000, 0.0002177500000000 ] - [ 0.0314311600000000, -0.0063783700000000, 0.0009382500000000 ] - [ 0.0017567800000000, -0.0008449100000000, 0.0006484200000000 ] - [ 0.0002821000000000, 0.0018616700000000, -0.0000761100000000 ] - [ -0.0008245000000000, 0.0005562200000000, 0.0007238500000000 ] - [ 0.0012552800000000, -0.0009121200000000, -0.0010254100000000 ] - [ 0.0004363600000000, 0.0002633000000000, 0.0000891400000000 ] - [ -0.0002913600000000, -0.0000889700000000, 0.0000150200000000 ] - [ -0.0002487900000000, 0.0010568200000000, -0.0000125200000000 ] - [ 0.0015388000000000, -0.0003493400000000, -0.0008958600000000 ] - [ 0.0076628400000000, -0.0010204400000000, 0.0011797200000000 ] - [ -0.0002922800000000, 0.0001215200000000, -0.0000762000000000 ] - [ -0.0011664400000000, 0.0021790500000000, -0.0000737100000000 ] - [ -0.0037143300000000, -0.0004165600000000, 0.0014455900000000 ] - [ -0.0003625400000000, -0.0002394300000000, 0.0000241800000000 ] - [ -0.0018973100000000, 0.0002864700000000, -0.0002493700000000 ] - [ -0.0011934900000000, -0.0018071100000000, 0.0002613600000000 ] - [ -0.0012313300000000, 0.0019201000000000, -0.0016295000000000 ] - [ -0.0002385600000000, -0.0011089500000000, -0.0000858500000000 ] - [ -0.0033051000000000, 0.0069236200000000, 0.0000442000000000 ] - [ 0.0580706700000000, -0.0308705400000000, 0.0541695900000000 ] - [ 0.0008257400000000, 0.0009026500000000, 0.0007363200000000 ] - [ 0.0000315800000000, 0.0015770300000000, -0.0004948700000000 ] - [ 0.0022343700000000, -0.0036030700000000, -0.0046478700000000 ] - [ 0.0005155100000000, -0.0003570300000000, -0.0009299500000000 ] - [ 0.0001176600000000, 0.0000298900000000, -0.0000587800000000 ] - [ -0.0003431000000000, 0.0008553900000000, 0.0001762900000000 ] - [ 0.0010363900000000, 0.0007424500000000, -0.0008103700000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006941400000000, 0.0011749700000000, 0.0002656200000000 ] - [ -0.0001273300000000, 0.0000942100000000, -0.0001317900000000 ] - [ -0.0001142600000000, -0.0000734100000000, -0.0001861700000000 ] - [ 0.0002084900000000, -0.0004766800000000, -0.0010248400000000 ] - [ -0.0063493400000000, 0.0001373200000000, 0.0153833300000000 ] - [ 0.0001888300000000, 0.0001834900000000, 0.0002895800000000 ] - [ -0.0000865400000000, -0.0001726500000000, 0.0002351400000000 ] - [ -0.0002023800000000, 0.0002158000000000, 0.0004176300000000 ] - [ -0.0008599500000000, -0.0002281500000000, 0.0001410200000000 ] - [ -0.0001719500000000, 0.0000049600000000, 0.0003335400000000 ] - [ -0.0001130800000000, 0.0000138700000000, 0.0000317200000000 ] - [ 0.0010127900000000, 0.0017706800000000, 0.0006649000000000 ] - [ -0.0004319400000000, 0.0001297800000000, -0.0006960400000000 ] - [ 0.0035674400000000, -0.0003545700000000, -0.0006457000000000 ] - [ -0.0007231700000000, -0.0017757100000000, -0.0019935800000000 ] - [ 0.0001874000000000, 0.0001028500000000, -0.0001512600000000 ] - [ -0.0001265200000000, -0.0000627400000000, -0.0001622200000000 ] - [ -0.0002262500000000, 0.0000823700000000, -0.0002016000000000 ] - [ 0.0002856100000000, 0.0012653100000000, -0.0004657500000000 ] - [ 0.0003135900000000, 0.0001257900000000, -0.0000848800000000 ] - [ -0.0002860400000000, -0.0000062900000000, -0.0005804600000000 ] - [ -0.1144094500000000, 0.0071723600000000, -0.2380315900000000 ] - [ -0.0001081300000000, 0.0007496900000000, -0.0007912400000000 ] - [ 0.0001318400000000, -0.0002333200000000, -0.0007880400000000 ] - [ 0.0005626400000000, -0.0002191500000000, 0.0002583800000000 ] - [ 0.0003261400000000, 0.0004582800000000, 0.0003226900000000 ] - [ 0.0002043000000000, -0.0005085000000000, 0.0000129700000000 ] - [ -0.0008342200000000, 0.0005087600000000, 0.0000693400000000 ] - [ -0.0007097800000000, -0.0001442600000000, 0.0008337000000000 ] - [ 0.0007391500000000, 0.0012983200000000, 0.0009199000000000 ] - [ 0.0001831400000000, -0.0003687200000000, -0.0001417600000000 ] - [ -0.0003392200000000, 0.0004216400000000, -0.0002604800000000 ] - [ 0.0004200900000000, 0.0031665300000000, 0.0000563400000000 ] - [ -0.0000309800000000, -0.0002580100000000, -0.0002537300000000 ] - [ -0.0000280200000000, 0.0004450900000000, -0.0001866600000000 ] - [ -0.0012949200000000, -0.0007340700000000, -0.0022801100000000 ] - [ -0.0049221800000000, 0.0020922400000000, 0.0007646000000000 ] - [ 0.0007590700000000, -0.0003550500000000, -0.0002036900000000 ] - [ 0.0000463600000000, 0.0000273300000000, -0.0001540500000000 ] - [ -0.0001393300000000, -0.0003471900000000, 0.0013757700000000 ] - [ 0.0001489400000000, -0.0000610000000000, 0.0001825100000000 ] - [ 0.0000893600000000, 0.0002853900000000, 0.0004533200000000 ] - [ 0.0016342000000000, 0.0007876900000000, 0.0006844200000000 ] - [ 0.0005206200000000, -0.0001422200000000, 0.0001879500000000 ] - [ 0.0000451400000000, -0.0000207000000000, 0.0000616000000000 ] - [ 0.0002366500000000, -0.0001981500000000, -0.0000041800000000 ] - [ 0.0001121600000000, -0.0008493100000000, 0.0002437800000000 ] - [ -0.0002799500000000, 0.0001236400000000, -0.0001219600000000 ] - [ -0.0002939000000000, -0.0000513100000000, 0.0000616500000000 ] - [ 0.0101783000000000, 0.0076322800000000, 0.0000313100000000 ] - [ 0.0029965200000000, 0.0040819600000000, -0.0018943100000000 ] - [ -0.0009552700000000, 0.0011263900000000, -0.0010512200000000 ] - [ -0.0002006600000000, -0.0001407600000000, -0.0002478200000000 ] - [ 0.0006524700000000, 0.0009443800000000, -0.0006923900000000 ] - [ 0.0003288600000000, -0.0001645400000000, -0.0003519700000000 ] - [ 0.0008088500000000, -0.0012906600000000, 0.0004069500000000 ] - [ 0.0009000400000000, 0.0003580500000000, -0.0004037900000000 ] - [ -0.0000655300000000, -0.0001545800000000, 0.0004314600000000 ] - [ 0.0001341400000000, -0.0001282100000000, 0.0005122000000000 ] - [ 0.0007833100000000, 0.0001643400000000, 0.0007628100000000 ] - [ 0.0000437900000000, 0.0002146100000000, -0.0002225700000000 ] - [ 0.0002305700000000, 0.0003569900000000, -0.0002443100000000 ] - [ 0.0093817000000000, -0.0066681000000000, -0.0007562900000000 ] - [ 0.0005008500000000, -0.0001154900000000, -0.0002087000000000 ] - [ 0.0002633900000000, 0.0000878900000000, -0.0002580700000000 ] - [ -0.0000785400000000, -0.0003942800000000, -0.0020990100000000 ] - [ -0.0000516300000000, -0.0006650000000000, 0.0003679800000000 ] - [ -0.0009478200000000, 0.0002820800000000, 0.0080052300000000 ] - [ -0.0000562700000000, -0.0002683600000000, 0.0010139800000000 ] - [ 0.0001116100000000, -0.0001658800000000, -0.0000105800000000 ] - [ 0.0008198200000000, -0.0000266500000000, -0.0001254600000000 ] - [ -0.0008887400000000, -0.0002122600000000, 0.0002395500000000 ] - [ -0.0005424800000000, -0.0007981200000000, 0.0010349600000000 ] - [ -0.0001218200000000, -0.0002049000000000, 0.0004387000000000 ] - [ 0.0011440400000000, 0.0004545400000000, 0.0003202000000000 ] - [ 0.0000697200000000, 0.0003468200000000, 0.0004628500000000 ] - [ -0.0011169500000000, -0.0002608800000000, -0.0001638900000000 ] - [ 0.0001087300000000, -0.0002294800000000, 0.0000274500000000 ] - [ 0.0011480500000000, 0.0010394000000000, 0.0030969200000000 ] - [ -0.0005479800000000, -0.0004617700000000, 0.0029741200000000 ] - [ -0.0000796700000000, 0.0001802100000000, 0.0003324600000000 ] - [ -0.0033868700000000, -0.0028783500000000, 0.0024209500000000 ] - [ 0.0045505200000000, -0.0009370200000000, 0.0075413200000000 ] - [ 0.0001711800000000, -0.0002710200000000, 0.0000556200000000 ] - [ 0.0000259500000000, 0.0002501900000000, 0.0000301000000000 ] - [ 0.0007153600000000, -0.0021340800000000, 0.0017388500000000 ] - [ 0.0002556300000000, -0.0003835800000000, -0.0000210500000000 ] - [ -0.0002162900000000, 0.0010510000000000, 0.0001835300000000 ] - [ 0.0039904800000000, -0.0004944300000000, 0.0252328400000000 ] - [ -0.0001764400000000, -0.0002044800000000, -0.0000323100000000 ] - [ -0.0004111300000000, -0.0004727300000000, -0.0002668700000000 ] - [ -0.0003142500000000, 0.0000869800000000, 0.0000948700000000 ] - [ 0.0016719500000000, -0.0021140900000000, -0.0004569800000000 ] - [ -0.0002024200000000, 0.0001890700000000, -0.0004831800000000 ] - [ -0.0009167700000000, -0.0005181100000000, -0.0003308500000000 ] - [ 0.0002107700000000, 0.0000803100000000, -0.0004331200000000 ] - [ -0.0049702300000000, 0.0001917300000000, 0.0012539800000000 ] - [ -0.0002854600000000, -0.0003653200000000, 0.0002808400000000 ] - [ -0.0004225300000000, 0.0002318600000000, 0.0003942300000000 ] - [ -0.0041203000000000, -0.0006365100000000, 0.0038492800000000 ] - [ 0.0007470100000000, -0.0013473200000000, 0.0055283600000000 ] - [ 0.0002984600000000, 0.0005534100000000, 0.0003631700000000 ] - [ -0.0004132600000000, 0.0005870500000000, -0.0004332200000000 ] - [ -0.0028255600000000, 0.0001080400000000, -0.0101955900000000 ] - [ 0.0002432200000000, -0.0001339500000000, -0.0005416200000000 ] - [ -0.0003729500000000, -0.0005275000000000, -0.0000940700000000 ] - [ -0.0000489500000000, 0.0004365500000000, 0.0000672500000000 ] - [ 0.0010178000000000, 0.0010764700000000, 0.0002971900000000 ] - [ 0.0006093500000000, -0.0053454700000000, 0.0043729800000000 ] - [ -0.0004883300000000, -0.0007643900000000, 0.0002197400000000 ] - [ -0.0001045300000000, -0.0001073500000000, 0.0001162600000000 ] - [ 0.0037814400000000, 0.0009092000000000, 0.0016695300000000 ] - [ -0.0002738900000000, -0.0005306600000000, 0.0001861800000000 ] - [ -0.0013411800000000, 0.0004343600000000, 0.0002631100000000 ] - [ -0.0019292800000000, -0.0008492100000000, -0.0004042900000000 ] - [ -0.0007139000000000, 0.0011011300000000, -0.0012217100000000 ] - [ 0.0003400300000000, -0.0000352700000000, -0.0000838600000000 ] - [ -0.0005542100000000, -0.0003784800000000, 0.0010726600000000 ] - [ 0.1017283400000000, -0.0067192900000000, 0.1863875500000000 ] - [ 0.0003331900000000, -0.0008675300000000, 0.0006238900000000 ] - [ 0.0004088700000000, 0.0008043700000000, -0.0005272600000000 ] - [ -0.0004375700000000, -0.0020562400000000, -0.0079691900000000 ] - [ 0.0004170800000000, 0.0003582700000000, -0.0048655100000000 ] - [ -0.0002306600000000, -0.0005039600000000, -0.0003382500000000 ] - [ -0.0000513400000000, 0.0002344200000000, -0.0002033000000000 ] - [ 0.0007193000000000, 0.0027747200000000, -0.0017804300000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006622400000000, -0.0011228100000000, 0.0000230300000000 ] - [ -0.0001423500000000, 0.0000785800000000, -0.0000925200000000 ] - [ 0.0000182000000000, -0.0002589800000000, -0.0000407600000000 ] - [ 0.0000852300000000, 0.0005402800000000, 0.0007913900000000 ] - [ 0.0070835600000000, -0.0001568100000000, -0.0162686100000000 ] - [ -0.0001187000000000, -0.0000951100000000, 0.0000090800000000 ] - [ 0.0000812000000000, 0.0002950100000000, -0.0002321300000000 ] - [ -0.0000112600000000, -0.0000631100000000, -0.0003767200000000 ] - [ 0.0007457800000000, -0.0000443900000000, -0.0001046000000000 ] - [ 0.0004100600000000, 0.0000123600000000, -0.0002997700000000 ] - [ 0.0000753000000000, -0.0000323700000000, -0.0000335100000000 ] - [ -0.0008873800000000, -0.0017415200000000, -0.0006568800000000 ] - [ 0.0004066000000000, 0.0000029900000000, 0.0006440200000000 ] - [ -0.0037675600000000, 0.0005217600000000, 0.0004839700000000 ] - [ 0.0006096900000000, 0.0014698400000000, 0.0018173100000000 ] - [ 0.0000866100000000, -0.0000708000000000, -0.0000270600000000 ] - [ 0.0000934000000000, 0.0000224000000000, 0.0001054500000000 ] - [ 0.0003558200000000, -0.0000423700000000, 0.0001578100000000 ] - [ -0.0002123400000000, -0.0012390400000000, 0.0005520500000000 ] - [ -0.0003553700000000, -0.0000728800000000, 0.0001602000000000 ] - [ 0.0002592700000000, -0.0000587900000000, 0.0006565900000000 ] - [ 0.1061612900000000, -0.0070307400000000, 0.2305386800000000 ] - [ 0.0005510500000000, -0.0006244500000000, 0.0004430700000000 ] - [ -0.0004642500000000, 0.0005384500000000, 0.0004469000000000 ] - [ -0.0004909300000000, -0.0000775400000000, 0.0003032700000000 ] - [ -0.0006105400000000, -0.0003652400000000, 0.0002496100000000 ] - [ 0.0000395300000000, 0.0001414800000000, -0.0002416800000000 ] - [ 0.0010649600000000, -0.0003192900000000, 0.0004880300000000 ] - [ 0.0003242800000000, 0.0001678200000000, -0.0010585000000000 ] - [ -0.0005563400000000, -0.0009093700000000, -0.0011449700000000 ] - [ 0.0001772500000000, -0.0000718900000000, 0.0000712200000000 ] - [ -0.0002300700000000, -0.0004931100000000, 0.0001875800000000 ] - [ -0.0002263200000000, -0.0026444500000000, -0.0001110900000000 ] - [ -0.0001350600000000, -0.0001431300000000, 0.0002343400000000 ] - [ -0.0002157100000000, -0.0001506500000000, 0.0001626500000000 ] - [ 0.0016582000000000, 0.0008153000000000, 0.0022303400000000 ] - [ 0.0047925400000000, -0.0018660300000000, -0.0010146200000000 ] - [ -0.0004980400000000, 0.0003418100000000, -0.0000602300000000 ] - [ -0.0001682000000000, -0.0003131300000000, -0.0001120300000000 ] - [ 0.0000449300000000, 0.0004655000000000, -0.0012895100000000 ] - [ 0.0000112700000000, 0.0000819300000000, -0.0001053500000000 ] - [ -0.0001237600000000, -0.0003932000000000, -0.0003628600000000 ] - [ -0.0015828400000000, -0.0007718800000000, -0.0006218600000000 ] - [ -0.0005513400000000, 0.0001719400000000, -0.0001348700000000 ] - [ -0.0000535800000000, -0.0000240600000000, -0.0000069100000000 ] - [ -0.0003306700000000, -0.0002498600000000, -0.0003311900000000 ] - [ 0.0003276900000000, 0.0009816800000000, -0.0005867800000000 ] - [ -0.0000643100000000, 0.0001789700000000, -0.0002201000000000 ] - [ 0.0003563800000000, -0.0002358600000000, 0.0005195900000000 ] - [ -0.0102956700000000, -0.0073968300000000, 0.0005289600000000 ] - [ -0.0027120900000000, -0.0043881900000000, 0.0016667200000000 ] - [ 0.0012278700000000, -0.0010006300000000, 0.0015717100000000 ] - [ -0.0001849800000000, 0.0001507100000000, -0.0000057000000000 ] - [ -0.0004660400000000, -0.0005453000000000, 0.0004352600000000 ] - [ 0.0000027700000000, -0.0003023600000000, 0.0002915500000000 ] - [ -0.0013863300000000, 0.0012524800000000, -0.0004682800000000 ] - [ -0.0006575700000000, 0.0001610600000000, 0.0003524200000000 ] - [ -0.0001070600000000, -0.0002497200000000, -0.0003786800000000 ] - [ -0.0003817100000000, 0.0004269000000000, -0.0004597100000000 ] - [ -0.0004152200000000, -0.0001003200000000, -0.0007208100000000 ] - [ -0.0001425700000000, 0.0000102100000000, -0.0000041600000000 ] - [ 0.0000352600000000, -0.0003783300000000, 0.0000134600000000 ] - [ -0.0093624000000000, 0.0062497400000000, 0.0005335200000000 ] - [ -0.0006041300000000, 0.0002192600000000, 0.0002833300000000 ] - [ -0.0001092200000000, -0.0000460200000000, 0.0003262700000000 ] - [ 0.0000683800000000, 0.0002829000000000, 0.0021759100000000 ] - [ 0.0001005100000000, 0.0006817900000000, -0.0002330200000000 ] - [ 0.0008981800000000, -0.0002503300000000, -0.0078821000000000 ] - [ 0.0000454700000000, 0.0002285700000000, -0.0008829800000000 ] - [ -0.0002005100000000, -0.0002753900000000, -0.0003366400000000 ] - [ -0.0003890900000000, 0.0001671500000000, -0.0002245100000000 ] - [ 0.0005494200000000, 0.0005069400000000, -0.0005909900000000 ] - [ 0.0005947500000000, 0.0005015500000000, -0.0004960900000000 ] - [ -0.0001496500000000, 0.0003006700000000, 0.0001064300000000 ] - [ -0.0008932800000000, -0.0008063200000000, -0.0005245900000000 ] - [ 0.0001574200000000, -0.0001695600000000, 0.0000705600000000 ] - [ 0.0007165700000000, 0.0002711000000000, -0.0000435200000000 ] - [ 0.0000707600000000, 0.0006229000000000, -0.0002312200000000 ] - [ -0.0007928500000000, -0.0014790100000000, -0.0030903600000000 ] - [ -0.0000401500000000, 0.0004192900000000, -0.0029818900000000 ] - [ 0.0002991100000000, 0.0003401200000000, -0.0003306900000000 ] - [ 0.0032297600000000, 0.0024945500000000, -0.0023916600000000 ] - [ -0.0048299100000000, 0.0012493800000000, -0.0075376800000000 ] - [ 0.0001775400000000, 0.0003308900000000, -0.0000445700000000 ] - [ -0.0001463500000000, -0.0000133900000000, -0.0002957900000000 ] - [ -0.0004309000000000, 0.0020966700000000, -0.0020006200000000 ] - [ -0.0003890400000000, 0.0000882200000000, -0.0002485500000000 ] - [ 0.0001090600000000, -0.0009346900000000, -0.0000687400000000 ] - [ -0.0037767000000000, 0.0005223500000000, -0.0244529100000000 ] - [ 0.0001542500000000, 0.0000777500000000, 0.0001474100000000 ] - [ 0.0000842900000000, 0.0006911800000000, 0.0003490100000000 ] - [ 0.0002573800000000, -0.0004848400000000, -0.0000104500000000 ] - [ -0.0013100400000000, 0.0022682400000000, 0.0005389700000000 ] - [ 0.0000223800000000, -0.0000321300000000, 0.0005409900000000 ] - [ 0.0008780600000000, 0.0002918400000000, 0.0003852900000000 ] - [ 0.0000171300000000, 0.0000083700000000, 0.0004842500000000 ] - [ 0.0046370900000000, -0.0000195000000000, -0.0011926500000000 ] - [ 0.0002609500000000, -0.0000045000000000, -0.0002181400000000 ] - [ 0.0007275700000000, -0.0000659900000000, -0.0003313600000000 ] - [ 0.0041665400000000, 0.0007710100000000, -0.0038235000000000 ] - [ -0.0007399100000000, 0.0010383000000000, -0.0054487600000000 ] - [ -0.0000109400000000, -0.0003894100000000, -0.0002998500000000 ] - [ 0.0000850900000000, -0.0004148100000000, 0.0005594700000000 ] - [ 0.0027481800000000, -0.0004847700000000, 0.0102505000000000 ] - [ 0.0000815300000000, 0.0003096400000000, 0.0006613200000000 ] - [ 0.0001333100000000, 0.0006844200000000, 0.0001080500000000 ] - [ 0.0000333100000000, -0.0007130300000000, -0.0000530900000000 ] - [ -0.0007479200000000, -0.0009272000000000, -0.0002726900000000 ] - [ -0.0002186100000000, 0.0053094900000000, -0.0046187500000000 ] - [ 0.0002715400000000, 0.0010650500000000, -0.0004433400000000 ] - [ -0.0000756000000000, -0.0002292600000000, -0.0003481700000000 ] - [ -0.0041766400000000, -0.0011916900000000, -0.0014750600000000 ] - [ 0.0006992200000000, 0.0003414200000000, 0.0000181500000000 ] - [ 0.0012862700000000, 0.0000653100000000, -0.0000681500000000 ] - [ 0.0023145100000000, 0.0008760900000000, 0.0001832700000000 ] - [ 0.0004956900000000, -0.0007990900000000, 0.0009991300000000 ] - [ -0.0005018400000000, -0.0003131600000000, -0.0001399700000000 ] - [ 0.0001365700000000, 0.0001862800000000, -0.0008259100000000 ] - [ -0.0946506100000000, 0.0059530700000000, -0.1782722100000000 ] - [ -0.0003447700000000, 0.0013375600000000, -0.0003615000000000 ] - [ -0.0000165300000000, -0.0007754800000000, 0.0003637900000000 ] - [ 0.0002641500000000, 0.0023608700000000, 0.0078019200000000 ] - [ -0.0005972300000000, -0.0007186500000000, 0.0046832500000000 ] - [ -0.0001686900000000, 0.0002511000000000, 0.0005453000000000 ] - [ 0.0004448100000000, -0.0004311200000000, 0.0004216100000000 ] - [ -0.0007453100000000, -0.0022765500000000, 0.0019911900000000 ]- atom: 25 displacement: [ 0.0100000000000000, -0.0000000000071070, 0.0000000000000000 ] forces: - [ -0.0043302800000000, -0.0009143700000000, 0.0004012100000000 ] - [ 0.0006901300000000, 0.0021162700000000, -0.0006789800000000 ] - [ -0.0000438200000000, -0.0007636300000000, 0.0000964600000000 ] - [ -0.0004161100000000, 0.0007535200000000, -0.0000362800000000 ] - [ -0.0014597900000000, -0.0000312900000000, 0.0000101400000000 ] - [ -0.0004777000000000, 0.0007465400000000, 0.0004577900000000 ] - [ -0.0001355600000000, 0.0006442100000000, -0.0000209600000000 ] - [ 0.0003360600000000, -0.0008344500000000, 0.0004218300000000 ] - [ -0.0011144000000000, 0.0033169900000000, -0.0002844600000000 ] - [ 0.0110972100000000, 0.0007803500000000, -0.0083814800000000 ] - [ 0.0010196400000000, -0.0005788900000000, -0.0001250500000000 ] - [ -0.0003076400000000, -0.0003573700000000, -0.0000343300000000 ] - [ -0.0004710700000000, -0.0010225300000000, -0.0016335300000000 ] - [ -0.0009851500000000, 0.0003083600000000, -0.0000265300000000 ] - [ -0.0004523800000000, 0.0001493800000000, -0.0004517300000000 ] - [ -0.0001491600000000, -0.0004645500000000, -0.0000965800000000 ] - [ 0.0004255300000000, 0.0005861800000000, 0.0000179900000000 ] - [ 0.0028207800000000, -0.0013967400000000, 0.0023679400000000 ] - [ 0.0001761200000000, -0.0009771300000000, -0.0000967000000000 ] - [ -0.0036712700000000, -0.0007446200000000, 0.0001540400000000 ] - [ -0.0000318900000000, 0.0013326900000000, 0.0000329100000000 ] - [ 0.0018932000000000, -0.0003074800000000, 0.0003552200000000 ] - [ 0.0011976800000000, -0.0011098800000000, -0.0007664500000000 ] - [ 0.0012907700000000, 0.0014386000000000, 0.0006630600000000 ] - [ -0.3309384800000000, 0.0305983300000000, -0.0240374300000000 ] - [ -0.0013316900000000, -0.0031244900000000, 0.0007326300000000 ] - [ 0.0001063600000000, 0.0010121300000000, -0.0001673900000000 ] - [ -0.0004853700000000, 0.0036024100000000, 0.0000142300000000 ] - [ 0.0103630200000000, -0.0039273100000000, 0.0037075100000000 ] - [ 0.0032246700000000, -0.0003218100000000, -0.0004330900000000 ] - [ 0.0003243400000000, 0.0018240600000000, 0.0007113200000000 ] - [ -0.0005076100000000, -0.0018989900000000, 0.0001231900000000 ] - [ 0.0013367300000000, -0.0000420400000000, -0.0004038700000000 ] - [ -0.0002091300000000, 0.0005125800000000, 0.0002191700000000 ] - [ -0.0006462100000000, -0.0012097000000000, -0.0007360500000000 ] - [ 0.0009354500000000, -0.0002656200000000, 0.0002543000000000 ] - [ 0.0033662300000000, 0.0019164900000000, -0.0007022300000000 ] - [ 0.0193721600000000, 0.0142427200000000, -0.0002823300000000 ] - [ 0.0001030200000000, -0.0014563100000000, -0.0002055600000000 ] - [ 0.0003307300000000, 0.0007029600000000, 0.0002769100000000 ] - [ -0.0028680700000000, -0.0000857000000000, -0.0004939500000000 ] - [ 0.0000868000000000, -0.0009177900000000, -0.0000974900000000 ] - [ 0.0000658100000000, 0.0001204900000000, 0.0006175900000000 ] - [ -0.0010447600000000, 0.0001326600000000, 0.0001062600000000 ] - [ -0.0003717900000000, -0.0004307600000000, 0.0004107200000000 ] - [ -0.0015364200000000, -0.0001666800000000, -0.0007375100000000 ] - [ 0.0004032100000000, 0.0006376300000000, 0.0000421500000000 ] - [ -0.0001195200000000, -0.0007007700000000, 0.0000759100000000 ] - [ 0.0011026000000000, -0.0002313900000000, 0.0004086100000000 ] - [ 0.0011177400000000, 0.0005707400000000, 0.0000213100000000 ] - [ 0.0019213400000000, -0.0018319100000000, 0.0000621300000000 ] - [ 0.0011962800000000, 0.0003128700000000, 0.0008275500000000 ] - [ 0.0000072600000000, 0.0008923500000000, -0.0000520700000000 ] - [ 0.0025878400000000, -0.0048705900000000, -0.0030587600000000 ] - [ -0.0001104600000000, -0.0016359500000000, 0.0001004200000000 ] - [ -0.0007937500000000, 0.0012558200000000, -0.0006646000000000 ] - [ -0.0034402300000000, 0.0005211300000000, 0.0012311300000000 ] - [ -0.0000511800000000, -0.0016282700000000, -0.0013399600000000 ] - [ -0.0005425900000000, 0.0012189300000000, 0.0005651100000000 ] - [ 0.0001126100000000, 0.0000811200000000, 0.0050918900000000 ] - [ 0.0003604900000000, 0.0014926600000000, 0.0013702100000000 ] - [ 0.0002823000000000, -0.0008881300000000, -0.0001536300000000 ] - [ 0.0015742900000000, -0.0001449600000000, -0.0004549700000000 ] - [ 0.0100492100000000, -0.0083576200000000, 0.0124688700000000 ] - [ -0.0008363700000000, -0.0003095100000000, 0.0002142000000000 ] - [ 0.0041735300000000, 0.0041200700000000, -0.0037066400000000 ] - [ 0.0015219300000000, 0.0018164300000000, -0.0005282600000000 ] - [ 0.0030730500000000, -0.0000358600000000, -0.0004479700000000 ] - [ 0.0026110900000000, -0.0024284400000000, 0.0002585300000000 ] - [ -0.0012794900000000, -0.0004128000000000, -0.0005016600000000 ] - [ 0.0103749300000000, -0.0111374300000000, -0.0119503600000000 ] - [ 0.0090688900000000, 0.0096300200000000, 0.0012673400000000 ] - [ 0.0010954100000000, -0.0001869900000000, 0.0003075100000000 ] - [ -0.0005591900000000, 0.0006966500000000, 0.0001817100000000 ] - [ -0.0001037600000000, -0.0006756800000000, 0.0004383200000000 ] - [ 0.0001343800000000, -0.0011560100000000, 0.0004293400000000 ] - [ 0.0007506800000000, -0.0004829200000000, -0.0002386700000000 ] - [ 0.0001838800000000, 0.0011122000000000, -0.0000888800000000 ] - [ 0.0024832600000000, 0.0009290000000000, 0.0012959600000000 ] - [ 0.0009674600000000, 0.0001544000000000, -0.0005319800000000 ] - [ 0.0012113100000000, 0.0004729700000000, -0.0003561600000000 ] - [ 0.0019367600000000, -0.0001504200000000, -0.0006048400000000 ] - [ 0.0024328000000000, -0.0006340400000000, -0.0004680600000000 ] - [ 0.0008609300000000, 0.0002957200000000, -0.0000520400000000 ] - [ -0.0000647300000000, -0.0007184300000000, -0.0000789300000000 ] - [ 0.0013879500000000, 0.0009533600000000, 0.0002496700000000 ] - [ -0.0015967800000000, 0.0014940300000000, -0.0011706100000000 ] - [ 0.0004453600000000, -0.0006110100000000, 0.0002722500000000 ] - [ 0.0014496100000000, 0.0000610000000000, -0.0000917400000000 ] - [ 0.0005242100000000, 0.0006894600000000, 0.0006930300000000 ] - [ -0.0007331400000000, 0.0015780800000000, 0.0000594700000000 ] - [ 0.0071840200000000, -0.0066967600000000, 0.0000007900000000 ] - [ -0.0012978000000000, -0.0017060100000000, 0.0002735100000000 ] - [ 0.0010465800000000, -0.0019360500000000, -0.0008156300000000 ] - [ -0.0022275600000000, 0.0069441700000000, 0.0006010000000000 ] - [ 0.0213238700000000, 0.0006229600000000, 0.0277248100000000 ] - [ -0.0010083300000000, -0.0015674800000000, 0.0022675200000000 ] - [ 0.0007332500000000, 0.0010009300000000, -0.0001383600000000 ] - [ 0.0046914600000000, -0.0025567500000000, -0.0062622500000000 ] - [ -0.0031168100000000, 0.0007537200000000, -0.0007591000000000 ] - [ -0.0022770100000000, 0.0004622600000000, 0.0011862500000000 ] - [ -0.0008362200000000, -0.0010616200000000, -0.0000619200000000 ] - [ -0.0005998900000000, -0.0007693600000000, 0.0006805400000000 ] - [ -0.0021979100000000, -0.0009840600000000, 0.0003522600000000 ] - [ -0.0007733500000000, 0.0013488100000000, -0.0007309300000000 ] - [ 0.0008500900000000, 0.0010926700000000, 0.0002798100000000 ] - [ -0.0001529300000000, -0.0009339400000000, -0.0000920600000000 ] - [ -0.0006933100000000, 0.0008491300000000, -0.0001670400000000 ] - [ -0.0015203500000000, 0.0020202500000000, -0.0000123500000000 ] - [ 0.0030878600000000, 0.0066352400000000, 0.0013836700000000 ] - [ -0.0003082200000000, -0.0023392600000000, -0.0013073200000000 ] - [ -0.0060547700000000, -0.0083006700000000, 0.0046443200000000 ] - [ 0.0025068200000000, 0.0026295500000000, 0.0004283500000000 ] - [ 0.2382700300000000, -0.0270626300000000, -0.0004293100000000 ] - [ -0.0001706500000000, 0.0005188800000000, -0.0032008100000000 ] - [ 0.0010303900000000, -0.0014890500000000, -0.0000015800000000 ] - [ -0.0012694800000000, 0.0009387900000000, 0.0006777600000000 ] - [ -0.0021581900000000, -0.0014406300000000, -0.0017427300000000 ] - [ -0.0026332900000000, -0.0001787400000000, -0.0001683300000000 ] - [ -0.0012359900000000, 0.0017133000000000, 0.0006383500000000 ] - [ -0.0012462700000000, -0.0021676600000000, 0.0003421400000000 ] - [ -0.0054461200000000, 0.0000367200000000, 0.0013154700000000 ] - [ -0.0085788800000000, -0.0003631700000000, -0.0001674700000000 ] - [ -0.0004424400000000, 0.0017512800000000, 0.0000661400000000 ] - [ 0.0032632100000000, -0.0020105100000000, 0.0008417300000000 ] - [ -0.0014899100000000, -0.0009996000000000, -0.0002615200000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000071070, 0.0000000000000000 ] forces: - [ 0.0042726300000000, 0.0009684400000000, -0.0001060800000000 ] - [ -0.0009596000000000, -0.0019333700000000, 0.0004554500000000 ] - [ -0.0000505100000000, 0.0004272500000000, -0.0003196900000000 ] - [ 0.0007065100000000, -0.0006907900000000, -0.0001914300000000 ] - [ 0.0014954100000000, 0.0000257900000000, 0.0002812600000000 ] - [ 0.0005446000000000, -0.0006539900000000, -0.0001562400000000 ] - [ 0.0001299500000000, -0.0005156200000000, 0.0000214100000000 ] - [ -0.0005481900000000, 0.0009816400000000, -0.0003795400000000 ] - [ 0.0010054100000000, -0.0035654500000000, 0.0003243400000000 ] - [ -0.0111218700000000, -0.0007701500000000, 0.0089509700000000 ] - [ -0.0010429400000000, 0.0005567800000000, 0.0001226800000000 ] - [ 0.0004226300000000, 0.0003838400000000, 0.0000355300000000 ] - [ 0.0004443100000000, 0.0011453400000000, 0.0015781200000000 ] - [ 0.0007434500000000, -0.0001329600000000, -0.0001531400000000 ] - [ 0.0003376200000000, -0.0004513800000000, 0.0002722200000000 ] - [ 0.0004212300000000, 0.0004918400000000, -0.0000826500000000 ] - [ -0.0004558800000000, -0.0006241700000000, -0.0000745400000000 ] - [ -0.0026578600000000, 0.0014233500000000, -0.0024070100000000 ] - [ -0.0001044300000000, 0.0009802700000000, 0.0001801300000000 ] - [ 0.0036254900000000, 0.0007660700000000, -0.0000891200000000 ] - [ 0.0000055800000000, -0.0013892600000000, 0.0000441900000000 ] - [ -0.0019946900000000, -0.0001386300000000, -0.0006973200000000 ] - [ -0.0007475000000000, 0.0012293200000000, 0.0004155900000000 ] - [ -0.0016144600000000, -0.0011140400000000, -0.0010032400000000 ] - [ 0.3166493700000000, -0.0284133000000000, 0.0255473600000000 ] - [ 0.0010405600000000, 0.0032042800000000, -0.0001630600000000 ] - [ 0.0001351200000000, -0.0013707300000000, -0.0000626000000000 ] - [ 0.0007194200000000, -0.0034022700000000, 0.0005435800000000 ] - [ -0.0107717300000000, 0.0039867400000000, -0.0039710300000000 ] - [ -0.0030219900000000, 0.0007090600000000, 0.0002028300000000 ] - [ 0.0000325100000000, -0.0022498700000000, -0.0007805700000000 ] - [ -0.0000580400000000, 0.0018179300000000, -0.0001964000000000 ] - [ -0.0011258800000000, 0.0005676700000000, 0.0003327000000000 ] - [ 0.0000381600000000, -0.0009118900000000, -0.0002335800000000 ] - [ 0.0004041400000000, 0.0015020900000000, 0.0007155200000000 ] - [ -0.0005656600000000, 0.0003265500000000, -0.0002790700000000 ] - [ -0.0034831100000000, -0.0016899100000000, 0.0004360800000000 ] - [ -0.0186173800000000, -0.0138314600000000, 0.0000009400000000 ] - [ -0.0002230500000000, 0.0011607600000000, -0.0000619900000000 ] - [ -0.0004241400000000, -0.0005793300000000, -0.0001961100000000 ] - [ 0.0029983400000000, 0.0000871700000000, 0.0005818500000000 ] - [ -0.0001183100000000, 0.0008061800000000, 0.0001871200000000 ] - [ -0.0000019200000000, -0.0000944500000000, -0.0005406700000000 ] - [ 0.0010098200000000, -0.0001021900000000, -0.0000497300000000 ] - [ 0.0003545000000000, 0.0003872200000000, -0.0003451200000000 ] - [ 0.0014317100000000, -0.0002843800000000, 0.0004000000000000 ] - [ 0.0000368700000000, -0.0004966200000000, -0.0003818400000000 ] - [ -0.0002241900000000, 0.0009975200000000, -0.0004148800000000 ] - [ -0.0010319400000000, -0.0000543600000000, 0.0001772700000000 ] - [ -0.0013881800000000, -0.0004796400000000, 0.0005726000000000 ] - [ -0.0016624600000000, 0.0014617900000000, -0.0003189600000000 ] - [ -0.0009689800000000, -0.0001243200000000, -0.0002396000000000 ] - [ -0.0003918600000000, -0.0008754500000000, -0.0002012000000000 ] - [ -0.0024182600000000, 0.0052708300000000, 0.0028273800000000 ] - [ 0.0004391600000000, 0.0011584500000000, -0.0001547800000000 ] - [ 0.0002105600000000, -0.0012828200000000, 0.0005996000000000 ] - [ 0.0036763000000000, -0.0000002400000000, -0.0012845100000000 ] - [ -0.0001213400000000, 0.0012120000000000, 0.0013898700000000 ] - [ 0.0002908200000000, -0.0009091800000000, -0.0005078900000000 ] - [ 0.0002466600000000, -0.0000199800000000, -0.0049280000000000 ] - [ -0.0004814500000000, -0.0012498400000000, -0.0015848600000000 ] - [ -0.0000114600000000, 0.0008622200000000, -0.0000763300000000 ] - [ -0.0017036200000000, -0.0001457800000000, 0.0002249400000000 ] - [ -0.0098816400000000, 0.0082130600000000, -0.0120752500000000 ] - [ 0.0009834800000000, 0.0003511400000000, -0.0001444000000000 ] - [ -0.0041915900000000, -0.0042462300000000, 0.0038139400000000 ] - [ -0.0014636800000000, -0.0017917100000000, 0.0006591100000000 ] - [ -0.0030916500000000, 0.0000641600000000, 0.0005731200000000 ] - [ -0.0026181300000000, 0.0023812400000000, -0.0001267200000000 ] - [ 0.0011833600000000, -0.0000282900000000, 0.0001495000000000 ] - [ -0.0097233100000000, 0.0110226500000000, 0.0113037500000000 ] - [ -0.0094289600000000, -0.0093753300000000, -0.0016662800000000 ] - [ -0.0010390800000000, -0.0000983200000000, 0.0002324700000000 ] - [ 0.0002800000000000, -0.0006001000000000, 0.0003679700000000 ] - [ 0.0003627200000000, 0.0003118800000000, -0.0006350600000000 ] - [ 0.0000961100000000, 0.0013208800000000, 0.0001067400000000 ] - [ -0.0011374900000000, 0.0004918600000000, 0.0000386100000000 ] - [ -0.0000051000000000, -0.0007144900000000, -0.0001141500000000 ] - [ -0.0021332600000000, -0.0013802100000000, -0.0013013500000000 ] - [ -0.0015340300000000, -0.0002058100000000, 0.0005174200000000 ] - [ -0.0009819900000000, 0.0000481800000000, 0.0003524700000000 ] - [ -0.0020954800000000, -0.0002368500000000, 0.0006210900000000 ] - [ -0.0026575700000000, 0.0009161800000000, 0.0004799600000000 ] - [ -0.0005049500000000, -0.0002339300000000, 0.0000622300000000 ] - [ -0.0000573800000000, 0.0009501900000000, -0.0001860200000000 ] - [ -0.0011073600000000, -0.0009677000000000, -0.0005162600000000 ] - [ 0.0014420700000000, -0.0017863100000000, 0.0008969700000000 ] - [ -0.0005466700000000, 0.0007183100000000, -0.0001512000000000 ] - [ -0.0012888000000000, -0.0000247000000000, 0.0002073800000000 ] - [ -0.0005404700000000, -0.0007961200000000, -0.0005589100000000 ] - [ 0.0004053200000000, -0.0013466900000000, 0.0000287600000000 ] - [ -0.0071383000000000, 0.0062824200000000, 0.0000910900000000 ] - [ 0.0016504200000000, 0.0018537800000000, -0.0001822200000000 ] - [ -0.0012218500000000, 0.0020827900000000, 0.0008717500000000 ] - [ 0.0021713200000000, -0.0071239900000000, -0.0005485200000000 ] - [ -0.0217784300000000, -0.0005757900000000, -0.0292454000000000 ] - [ 0.0006830900000000, 0.0017347200000000, -0.0022099200000000 ] - [ -0.0007512800000000, -0.0013633700000000, 0.0002002200000000 ] - [ -0.0043156500000000, 0.0026949300000000, 0.0062781100000000 ] - [ 0.0028331800000000, -0.0005836200000000, 0.0008265400000000 ] - [ 0.0022623600000000, -0.0007683600000000, -0.0011149100000000 ] - [ 0.0011148500000000, 0.0012108400000000, 0.0001262000000000 ] - [ 0.0002715200000000, 0.0009465900000000, -0.0005553300000000 ] - [ 0.0021719000000000, 0.0005986400000000, -0.0002339200000000 ] - [ 0.0010918600000000, -0.0011642400000000, 0.0008464200000000 ] - [ -0.0010869500000000, -0.0009206200000000, -0.0002655900000000 ] - [ 0.0001397600000000, 0.0006512600000000, 0.0001018000000000 ] - [ 0.0009537500000000, -0.0007058800000000, 0.0001740400000000 ] - [ 0.0018901200000000, -0.0019794800000000, -0.0002108200000000 ] - [ -0.0033253100000000, -0.0063130000000000, -0.0016070400000000 ] - [ 0.0001304500000000, 0.0019899200000000, 0.0010676400000000 ] - [ 0.0056300000000000, 0.0079970300000000, -0.0044264900000000 ] - [ -0.0020672600000000, -0.0028082800000000, -0.0002206300000000 ] - [ -0.2239894000000000, 0.0252526600000000, 0.0006765800000000 ] - [ 0.0005005800000000, -0.0004889600000000, 0.0029249100000000 ] - [ -0.0012399000000000, 0.0017772200000000, -0.0002195900000000 ] - [ 0.0011011200000000, -0.0012789800000000, -0.0009092400000000 ] - [ 0.0017488600000000, 0.0011855000000000, 0.0019735400000000 ] - [ 0.0030102500000000, -0.0000252400000000, 0.0004255900000000 ] - [ 0.0012121300000000, -0.0012336000000000, -0.0003801400000000 ] - [ 0.0016311200000000, 0.0021831900000000, -0.0004996500000000 ] - [ 0.0052010800000000, 0.0002792900000000, -0.0014638200000000 ] - [ 0.0083627300000000, 0.0000161400000000, 0.0000025600000000 ] - [ 0.0000396900000000, -0.0019902000000000, 0.0001386100000000 ] - [ -0.0028301700000000, 0.0018091400000000, -0.0006328700000000 ] - [ 0.0014619000000000, 0.0014700800000000, 0.0004758400000000 ]- atom: 25 displacement: [ -0.0049999999943570, 0.0086602540411024, 0.0000000000000000 ] forces: - [ 0.0005731500000000, 0.0006243200000000, 0.0000796300000000 ] - [ 0.0001900900000000, -0.0014920800000000, 0.0006920500000000 ] - [ -0.0002958500000000, -0.0002915900000000, -0.0001402000000000 ] - [ 0.0005327300000000, -0.0006184300000000, -0.0001740900000000 ] - [ 0.0007181300000000, 0.0003139400000000, 0.0002197000000000 ] - [ 0.0003761900000000, -0.0005326900000000, -0.0000329600000000 ] - [ 0.0002565200000000, -0.0006547900000000, 0.0000007200000000 ] - [ -0.0005140200000000, 0.0000585500000000, -0.0000000300000000 ] - [ 0.0011012700000000, -0.0028875100000000, 0.0003741500000000 ] - [ -0.0055798200000000, 0.0027996600000000, 0.0038428300000000 ] - [ -0.0011542800000000, 0.0003387900000000, -0.0005412500000000 ] - [ 0.0002441000000000, 0.0000095900000000, -0.0000091100000000 ] - [ 0.0000397600000000, 0.0005311200000000, 0.0002998800000000 ] - [ 0.0004432700000000, 0.0000979900000000, -0.0001741400000000 ] - [ 0.0002055300000000, -0.0001905400000000, 0.0001351900000000 ] - [ 0.0002713500000000, 0.0001584400000000, -0.0000875200000000 ] - [ -0.0002108700000000, -0.0006691000000000, -0.0001464700000000 ] - [ -0.0017991800000000, 0.0020544000000000, -0.0020026800000000 ] - [ -0.0000550000000000, 0.0010976900000000, 0.0001394800000000 ] - [ 0.0003110500000000, 0.0034274700000000, 0.0021930200000000 ] - [ -0.0000334500000000, 0.0000704900000000, 0.0000695000000000 ] - [ -0.0011010600000000, -0.0003329800000000, -0.0004962800000000 ] - [ -0.0006287200000000, 0.0009370300000000, 0.0002934300000000 ] - [ -0.0005204200000000, -0.0005501400000000, -0.0000614900000000 ] - [ 0.1846399800000000, -0.0464513000000000, 0.0085024100000000 ] - [ 0.0003847800000000, 0.0028895300000000, -0.0000208900000000 ] - [ 0.0002818500000000, -0.0002256000000000, -0.0000873600000000 ] - [ 0.0007705600000000, -0.0008892800000000, 0.0004415500000000 ] - [ -0.0088060000000000, 0.0021125800000000, -0.0028364000000000 ] - [ -0.0026316800000000, 0.0002994400000000, 0.0000682800000000 ] - [ 0.0008604500000000, -0.0000487300000000, 0.0001078200000000 ] - [ -0.0011064500000000, 0.0018809400000000, -0.0004689700000000 ] - [ -0.0005964200000000, 0.0006881300000000, 0.0001625400000000 ] - [ 0.0003550600000000, -0.0001674900000000, 0.0000948200000000 ] - [ -0.0006687400000000, 0.0014046000000000, 0.0012174600000000 ] - [ -0.0003211700000000, 0.0004093800000000, -0.0002059600000000 ] - [ -0.0007370200000000, -0.0003926600000000, 0.0000673800000000 ] - [ 0.0043102500000000, -0.0089560400000000, 0.0003718200000000 ] - [ -0.0005891300000000, 0.0013527300000000, -0.0000968600000000 ] - [ -0.0001938600000000, 0.0001159100000000, -0.0000192400000000 ] - [ 0.0027119500000000, 0.0017624700000000, -0.0026765500000000 ] - [ -0.0002104600000000, 0.0008328500000000, 0.0001350500000000 ] - [ -0.0001113500000000, -0.0005048400000000, -0.0003969600000000 ] - [ 0.0006155700000000, 0.0002181200000000, -0.0000197500000000 ] - [ 0.0000885800000000, 0.0001192800000000, -0.0002485600000000 ] - [ 0.0007379100000000, -0.0004341300000000, -0.0004486000000000 ] - [ 0.0001032100000000, 0.0001674600000000, -0.0001561600000000 ] - [ -0.0002476800000000, 0.0010448000000000, -0.0003722200000000 ] - [ -0.0005399700000000, 0.0000741200000000, 0.0003067200000000 ] - [ -0.0009766200000000, -0.0006992900000000, 0.0005119300000000 ] - [ -0.0013333900000000, 0.0010725400000000, -0.0002770700000000 ] - [ -0.0004985500000000, -0.0007403300000000, -0.0000887200000000 ] - [ 0.0002075100000000, -0.0000265200000000, -0.0000712200000000 ] - [ -0.0036282200000000, 0.0027942400000000, 0.0025071500000000 ] - [ 0.0002041800000000, 0.0008738100000000, -0.0002272700000000 ] - [ 0.0000378300000000, -0.0003093400000000, 0.0000545600000000 ] - [ 0.0024074400000000, -0.0007523300000000, -0.0009617000000000 ] - [ -0.0002950400000000, 0.0009074200000000, 0.0011702200000000 ] - [ 0.0001631500000000, -0.0000637200000000, -0.0000099300000000 ] - [ 0.0004536200000000, -0.0011447700000000, -0.0024516200000000 ] - [ -0.0001616400000000, -0.0016421900000000, -0.0006609700000000 ] - [ -0.0001036600000000, 0.0009464900000000, -0.0001044800000000 ] - [ -0.0005353100000000, -0.0002671500000000, -0.0001120900000000 ] - [ -0.0122558900000000, 0.0017100700000000, -0.0103407700000000 ] - [ 0.0005360400000000, 0.0007590500000000, -0.0002227600000000 ] - [ 0.0002728300000000, -0.0016686300000000, 0.0007368400000000 ] - [ -0.0002236500000000, -0.0005922000000000, 0.0001407000000000 ] - [ -0.0018545700000000, -0.0001650200000000, 0.0003343300000000 ] - [ -0.0018821000000000, 0.0014333500000000, -0.0000691400000000 ] - [ 0.0006259700000000, 0.0004441000000000, 0.0000671700000000 ] - [ -0.0136772000000000, 0.0042129200000000, 0.0099366100000000 ] - [ -0.0015059800000000, -0.0032238100000000, -0.0005560300000000 ] - [ -0.0005820200000000, 0.0000525400000000, 0.0002741100000000 ] - [ 0.0008963800000000, 0.0002999100000000, -0.0002504500000000 ] - [ 0.0005502600000000, -0.0007320600000000, -0.0003399600000000 ] - [ -0.0003006300000000, 0.0012937500000000, 0.0001267500000000 ] - [ -0.0011283600000000, 0.0003463000000000, 0.0000164500000000 ] - [ 0.0003679900000000, 0.0002948500000000, -0.0000982700000000 ] - [ -0.0014470900000000, -0.0013974300000000, -0.0009897000000000 ] - [ -0.0010978000000000, -0.0006872700000000, 0.0004432000000000 ] - [ -0.0003998900000000, 0.0003405200000000, 0.0000983400000000 ] - [ -0.0014815700000000, -0.0007776300000000, 0.0004102200000000 ] - [ -0.0013828500000000, -0.0002351100000000, 0.0000695000000000 ] - [ -0.0000816800000000, 0.0000992100000000, 0.0000625800000000 ] - [ -0.0002838900000000, 0.0009026900000000, -0.0001443500000000 ] - [ -0.0002701800000000, -0.0002941800000000, -0.0001920800000000 ] - [ 0.0015019000000000, -0.0018500900000000, -0.0001994200000000 ] - [ -0.0004066800000000, 0.0004821900000000, -0.0000502200000000 ] - [ -0.0007060800000000, -0.0001528200000000, 0.0000961300000000 ] - [ -0.0001612400000000, -0.0006120000000000, -0.0003106200000000 ] - [ 0.0007894800000000, -0.0016625300000000, 0.0000766800000000 ] - [ -0.0056981300000000, -0.0022659100000000, -0.0000300200000000 ] - [ 0.0007275400000000, 0.0002285500000000, 0.0000404400000000 ] - [ -0.0009050900000000, 0.0002358700000000, 0.0000814800000000 ] - [ 0.0024482900000000, -0.0060285600000000, -0.0006698500000000 ] - [ -0.0093148800000000, 0.0025330300000000, -0.0113564500000000 ] - [ -0.0001345600000000, 0.0007216900000000, -0.0001651300000000 ] - [ -0.0003131300000000, -0.0014517900000000, 0.0003132200000000 ] - [ -0.0027769100000000, 0.0036885500000000, 0.0050314300000000 ] - [ 0.0018711100000000, 0.0000709000000000, 0.0004985500000000 ] - [ 0.0021487500000000, 0.0001325600000000, -0.0006790000000000 ] - [ 0.0004154700000000, 0.0004529800000000, 0.0000842800000000 ] - [ -0.0005586400000000, 0.0011207000000000, -0.0000241300000000 ] - [ 0.0012542500000000, 0.0005507700000000, -0.0001673900000000 ] - [ 0.0007468900000000, -0.0008086000000000, 0.0005712600000000 ] - [ -0.0001749700000000, -0.0001439400000000, -0.0005281500000000 ] - [ -0.0003173300000000, -0.0003664000000000, 0.0001743600000000 ] - [ 0.0007113800000000, -0.0007407000000000, 0.0001010700000000 ] - [ 0.0013238300000000, -0.0018603200000000, -0.0000733000000000 ] - [ 0.0023345800000000, -0.0052268200000000, -0.0018260600000000 ] - [ -0.0007687700000000, -0.0004800700000000, -0.0003448200000000 ] - [ -0.0000545200000000, 0.0023927100000000, -0.0014366900000000 ] - [ -0.0009473400000000, -0.0034227100000000, -0.0000381700000000 ] - [ -0.1360227200000000, 0.0464033300000000, 0.0008198800000000 ] - [ -0.0000655600000000, 0.0007029900000000, 0.0016552700000000 ] - [ -0.0009035800000000, 0.0001594500000000, -0.0001920600000000 ] - [ 0.0012462300000000, -0.0010134800000000, -0.0007714500000000 ] - [ 0.0005344100000000, 0.0016187200000000, 0.0004973100000000 ] - [ 0.0016092700000000, 0.0005422800000000, 0.0004354500000000 ] - [ 0.0008306200000000, -0.0010406900000000, -0.0003302000000000 ] - [ 0.0006505100000000, 0.0003874900000000, -0.0002924100000000 ] - [ 0.0037530600000000, 0.0012729100000000, -0.0006140200000000 ] - [ 0.0060566800000000, 0.0010215500000000, -0.0000637800000000 ] - [ 0.0003966600000000, -0.0020752500000000, 0.0001691400000000 ] - [ -0.0036172500000000, 0.0012183000000000, 0.0026964700000000 ] - [ 0.0006903700000000, 0.0002984600000000, 0.0001340400000000 ]- atom: 25 displacement: [ 0.0049999999943570, -0.0086602540411024, 0.0000000000000000 ] forces: - [ -0.0005884600000000, -0.0005726700000000, 0.0002140700000000 ] - [ -0.0004532800000000, 0.0016615900000000, -0.0009100700000000 ] - [ 0.0002002500000000, -0.0000421700000000, -0.0000866600000000 ] - [ -0.0002435900000000, 0.0006791300000000, -0.0000542200000000 ] - [ -0.0006794500000000, -0.0003183800000000, 0.0000722900000000 ] - [ -0.0003057600000000, 0.0006246200000000, 0.0003341900000000 ] - [ -0.0002614100000000, 0.0007802700000000, 0.0000005600000000 ] - [ 0.0003039200000000, 0.0000900800000000, 0.0000421400000000 ] - [ -0.0012091500000000, 0.0026270900000000, -0.0003373400000000 ] - [ 0.0057926400000000, -0.0028552700000000, -0.0037608900000000 ] - [ 0.0011193200000000, -0.0003587800000000, 0.0005399100000000 ] - [ -0.0001290200000000, 0.0000176100000000, 0.0000115300000000 ] - [ -0.0000631600000000, -0.0004037100000000, -0.0003551400000000 ] - [ -0.0006829900000000, 0.0000740700000000, -0.0000047200000000 ] - [ -0.0003154300000000, -0.0001116600000000, -0.0003132200000000 ] - [ 0.0000003100000000, -0.0001289400000000, -0.0000920900000000 ] - [ 0.0001804500000000, 0.0006307300000000, 0.0000914500000000 ] - [ 0.0019458900000000, -0.0020268900000000, 0.0019667300000000 ] - [ 0.0001291600000000, -0.0010874000000000, -0.0000562900000000 ] - [ -0.0003507200000000, -0.0033509500000000, -0.0020830900000000 ] - [ 0.0000089000000000, -0.0001337400000000, 0.0000057900000000 ] - [ 0.0009941000000000, -0.0001140000000000, 0.0001537500000000 ] - [ 0.0010753400000000, -0.0008164900000000, -0.0006426700000000 ] - [ 0.0001840900000000, 0.0008674900000000, -0.0002932300000000 ] - [ -0.1901245500000000, 0.0461565900000000, -0.0079896000000000 ] - [ -0.0006728000000000, -0.0028096400000000, 0.0005892600000000 ] - [ -0.0000398300000000, -0.0001394700000000, -0.0001415900000000 ] - [ -0.0005442900000000, 0.0010911900000000, 0.0001161100000000 ] - [ 0.0083793800000000, -0.0020701800000000, 0.0025877300000000 ] - [ 0.0028333900000000, 0.0000938000000000, -0.0002960100000000 ] - [ -0.0005004300000000, -0.0003943100000000, -0.0001813600000000 ] - [ 0.0005345700000000, -0.0019549600000000, 0.0003972900000000 ] - [ 0.0008062100000000, -0.0001607800000000, -0.0002322200000000 ] - [ -0.0005215000000000, -0.0002313100000000, -0.0001126100000000 ] - [ 0.0004217300000000, -0.0011123300000000, -0.0012370000000000 ] - [ 0.0006894300000000, -0.0003471000000000, 0.0001791700000000 ] - [ 0.0006267100000000, 0.0006183400000000, -0.0003330300000000 ] - [ -0.0041316500000000, 0.0089959300000000, -0.0006433700000000 ] - [ 0.0004668200000000, -0.0016449300000000, -0.0001702400000000 ] - [ 0.0001005500000000, 0.0000069600000000, 0.0001014300000000 ] - [ -0.0025425500000000, -0.0017312400000000, 0.0027351400000000 ] - [ 0.0001776300000000, -0.0009426700000000, -0.0000456400000000 ] - [ 0.0001652100000000, 0.0005233200000000, 0.0004651100000000 ] - [ -0.0006526300000000, -0.0001887700000000, 0.0000752100000000 ] - [ -0.0000997900000000, -0.0001675800000000, 0.0003093000000000 ] - [ -0.0008345400000000, -0.0000164600000000, 0.0001095900000000 ] - [ 0.0003372700000000, -0.0000281200000000, -0.0001825800000000 ] - [ -0.0000963700000000, -0.0007454900000000, 0.0000328800000000 ] - [ 0.0006053500000000, -0.0003606700000000, 0.0002771200000000 ] - [ 0.0007016100000000, 0.0007861600000000, 0.0000800700000000 ] - [ 0.0015894600000000, -0.0014373900000000, 0.0000202200000000 ] - [ 0.0007217100000000, 0.0009339400000000, 0.0006726400000000 ] - [ -0.0005933300000000, 0.0000394800000000, -0.0001828000000000 ] - [ 0.0037820800000000, -0.0024039700000000, -0.0027398000000000 ] - [ 0.0001260300000000, -0.0013473100000000, 0.0001707900000000 ] - [ -0.0006219800000000, 0.0002788100000000, -0.0001197400000000 ] - [ -0.0021719500000000, 0.0012717700000000, 0.0009048100000000 ] - [ 0.0001247700000000, -0.0013177200000000, -0.0011180300000000 ] - [ -0.0004149800000000, 0.0003675100000000, 0.0000661500000000 ] - [ -0.0000811600000000, 0.0011989500000000, 0.0025400000000000 ] - [ 0.0000468000000000, 0.0018863800000000, 0.0004328100000000 ] - [ 0.0003714800000000, -0.0009726100000000, -0.0001252400000000 ] - [ 0.0004045400000000, -0.0000232800000000, -0.0001200600000000 ] - [ 0.0124304900000000, -0.0016650900000000, 0.0106598600000000 ] - [ -0.0003883300000000, -0.0007196800000000, 0.0002930300000000 ] - [ -0.0002626000000000, 0.0015681900000000, -0.0006651600000000 ] - [ 0.0002704600000000, 0.0006060900000000, -0.0000020600000000 ] - [ 0.0018261300000000, 0.0001947300000000, -0.0002076700000000 ] - [ 0.0018691600000000, -0.0014781400000000, 0.0001995100000000 ] - [ -0.0007226600000000, -0.0008878300000000, -0.0004176800000000 ] - [ 0.0144119600000000, -0.0041440600000000, -0.0105377400000000 ] - [ 0.0011977400000000, 0.0035360600000000, 0.0001954600000000 ] - [ 0.0006393500000000, -0.0003379100000000, 0.0002653600000000 ] - [ -0.0011640000000000, -0.0001994800000000, 0.0007941200000000 ] - [ -0.0002981100000000, 0.0003726300000000, 0.0001383600000000 ] - [ 0.0005271600000000, -0.0011211100000000, 0.0004076800000000 ] - [ 0.0007402300000000, -0.0003366600000000, -0.0002167900000000 ] - [ -0.0001907400000000, 0.0001010900000000, -0.0001046900000000 ] - [ 0.0017882400000000, 0.0009413000000000, 0.0009818500000000 ] - [ 0.0005307300000000, 0.0006399000000000, -0.0004540900000000 ] - [ 0.0006211200000000, 0.0001777100000000, -0.0000982500000000 ] - [ 0.0013168400000000, 0.0003878200000000, -0.0003882800000000 ] - [ 0.0011482600000000, 0.0005278300000000, -0.0000520900000000 ] - [ 0.0004317500000000, -0.0000407400000000, -0.0000529700000000 ] - [ 0.0001612600000000, -0.0006697900000000, -0.0001209400000000 ] - [ 0.0005471300000000, 0.0002769300000000, -0.0000735500000000 ] - [ -0.0016380200000000, 0.0015562800000000, -0.0000671800000000 ] - [ 0.0003015100000000, -0.0003732300000000, 0.0001700800000000 ] - [ 0.0008646300000000, 0.0001882200000000, 0.0000197600000000 ] - [ 0.0001429600000000, 0.0005014400000000, 0.0004385400000000 ] - [ -0.0011152800000000, 0.0018861400000000, 0.0000111000000000 ] - [ 0.0056064900000000, 0.0018748100000000, 0.0001092700000000 ] - [ -0.0003747100000000, -0.0000799300000000, 0.0000493000000000 ] - [ 0.0007325500000000, -0.0000843700000000, -0.0000250700000000 ] - [ -0.0025056100000000, 0.0058346200000000, 0.0007268400000000 ] - [ 0.0095653500000000, -0.0026383100000000, 0.0113854500000000 ] - [ -0.0001858200000000, -0.0005501700000000, 0.0002327000000000 ] - [ 0.0002936800000000, 0.0010870100000000, -0.0002527600000000 ] - [ 0.0031239400000000, -0.0035467500000000, -0.0049962100000000 ] - [ -0.0021466800000000, 0.0000922500000000, -0.0004271600000000 ] - [ -0.0021584400000000, -0.0004377600000000, 0.0007483800000000 ] - [ -0.0001301700000000, -0.0002953400000000, -0.0000186500000000 ] - [ 0.0002280100000000, -0.0009462400000000, 0.0001392900000000 ] - [ -0.0012745600000000, -0.0009330400000000, 0.0002843400000000 ] - [ -0.0004220600000000, 0.0009906500000000, -0.0004542500000000 ] - [ -0.0000614000000000, 0.0003084500000000, 0.0005417700000000 ] - [ 0.0003027100000000, 0.0000833900000000, -0.0001607600000000 ] - [ -0.0004512000000000, 0.0008807200000000, -0.0000931900000000 ] - [ -0.0009524500000000, 0.0018916500000000, -0.0001501600000000 ] - [ -0.0025310000000000, 0.0055366800000000, 0.0015886300000000 ] - [ 0.0005895100000000, 0.0001404100000000, 0.0001171900000000 ] - [ -0.0003692600000000, -0.0027018800000000, 0.0016429900000000 ] - [ 0.0013840200000000, 0.0032476400000000, 0.0002441200000000 ] - [ 0.1410198900000000, -0.0456069800000000, -0.0005946000000000 ] - [ 0.0004326700000000, -0.0006718200000000, -0.0018937100000000 ] - [ 0.0006947600000000, 0.0001349700000000, -0.0000289000000000 ] - [ -0.0014162400000000, 0.0006737200000000, 0.0005427100000000 ] - [ -0.0009373500000000, -0.0018755600000000, -0.0002406200000000 ] - [ -0.0012264000000000, -0.0007440100000000, -0.0001757800000000 ] - [ -0.0008460200000000, 0.0015172800000000, 0.0005881700000000 ] - [ -0.0002550200000000, -0.0003570000000000, 0.0001323100000000 ] - [ -0.0039922500000000, -0.0009689500000000, 0.0004511200000000 ] - [ -0.0062395100000000, -0.0013673900000000, -0.0001029600000000 ] - [ -0.0007960800000000, 0.0018283000000000, 0.0000372800000000 ] - [ 0.0040083900000000, -0.0014107900000000, -0.0024769900000000 ] - [ -0.0007174800000000, 0.0001725900000000, 0.0000796200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004527300000000, -0.0000086300000000, 0.0001094000000000 ] - [ -0.0002850900000000, 0.0008769300000000, 0.0002143300000000 ] - [ 0.0000096100000000, -0.0001889000000000, 0.0000466900000000 ] - [ 0.0002327400000000, -0.0001668500000000, -0.0000318200000000 ] - [ -0.0001253900000000, -0.0000393500000000, 0.0003036400000000 ] - [ 0.0000225400000000, 0.0001572900000000, 0.0003899300000000 ] - [ 0.0000645700000000, -0.0000510800000000, -0.0000908200000000 ] - [ -0.0000129300000000, 0.0001333500000000, 0.0001227300000000 ] - [ -0.0008330200000000, 0.0022768000000000, 0.0002270500000000 ] - [ -0.0087943200000000, -0.0010511600000000, 0.0182290100000000 ] - [ -0.0001935600000000, -0.0004986500000000, -0.0006638000000000 ] - [ 0.0000066100000000, 0.0000000500000000, -0.0000566200000000 ] - [ -0.0002885900000000, -0.0003673100000000, -0.0007166100000000 ] - [ -0.0002267200000000, 0.0001484000000000, -0.0004043500000000 ] - [ -0.0001453500000000, -0.0000692500000000, -0.0004118900000000 ] - [ 0.0000960500000000, -0.0000780200000000, -0.0001566600000000 ] - [ -0.0000514000000000, -0.0001490500000000, -0.0000776900000000 ] - [ 0.0012149000000000, 0.0001835700000000, -0.0021872300000000 ] - [ 0.0000605100000000, -0.0000500800000000, -0.0000240100000000 ] - [ -0.0007538600000000, 0.0028372300000000, 0.0002988600000000 ] - [ -0.0000073000000000, 0.0001960300000000, -0.0000254800000000 ] - [ 0.0001934400000000, -0.0002387000000000, -0.0001973900000000 ] - [ -0.0000549500000000, 0.0001910700000000, -0.0001387300000000 ] - [ 0.0001206900000000, 0.0004565500000000, -0.0003891200000000 ] - [ -0.0226287700000000, -0.0048573800000000, -0.1181999700000000 ] - [ 0.0000210700000000, 0.0002621600000000, -0.0007063900000000 ] - [ 0.0001199800000000, -0.0000829300000000, -0.0001684400000000 ] - [ -0.0000264600000000, 0.0005267300000000, -0.0007112300000000 ] - [ 0.0042957100000000, -0.0007835000000000, 0.0006568900000000 ] - [ -0.0014298800000000, 0.0002829300000000, -0.0001941900000000 ] - [ 0.0003436700000000, 0.0000776600000000, -0.0001389100000000 ] - [ -0.0007287500000000, 0.0005078500000000, -0.0009115100000000 ] - [ 0.0003972700000000, 0.0002461900000000, -0.0003410200000000 ] - [ 0.0000595300000000, 0.0000783200000000, 0.0001449600000000 ] - [ -0.0004717100000000, 0.0005998200000000, 0.0008278400000000 ] - [ 0.0003762900000000, -0.0000490500000000, 0.0001690900000000 ] - [ 0.0003488800000000, 0.0003846900000000, -0.0011934800000000 ] - [ 0.0020711900000000, 0.0013757200000000, -0.0075691700000000 ] - [ -0.0001528500000000, -0.0000919400000000, -0.0002206500000000 ] - [ 0.0000024600000000, 0.0001514300000000, -0.0000461500000000 ] - [ -0.0008937400000000, -0.0017668500000000, 0.0004159700000000 ] - [ -0.0000287100000000, 0.0000141300000000, -0.0001110900000000 ] - [ 0.0003701800000000, 0.0003184800000000, 0.0018250800000000 ] - [ -0.0001480100000000, 0.0000409100000000, 0.0002391800000000 ] - [ 0.0000878600000000, -0.0004775500000000, 0.0017722700000000 ] - [ -0.0000019300000000, -0.0004096000000000, 0.0005992700000000 ] - [ 0.0002197400000000, 0.0001751700000000, -0.0000046400000000 ] - [ -0.0002055700000000, 0.0000825500000000, 0.0000261800000000 ] - [ 0.0000671700000000, -0.0001155700000000, 0.0003854100000000 ] - [ -0.0002815500000000, -0.0000620500000000, 0.0004846200000000 ] - [ 0.0009101800000000, -0.0007654200000000, -0.0002608900000000 ] - [ 0.0007255800000000, 0.0003404100000000, 0.0005900600000000 ] - [ -0.0001208400000000, 0.0001354500000000, -0.0001557600000000 ] - [ -0.0024319300000000, 0.0018465900000000, 0.0002154000000000 ] - [ 0.0002994400000000, -0.0007519100000000, 0.0008939500000000 ] - [ -0.0003403600000000, -0.0001036500000000, 0.0002690100000000 ] - [ -0.0019058300000000, 0.0004725400000000, 0.0079413200000000 ] - [ -0.0002949700000000, 0.0000503300000000, 0.0013212800000000 ] - [ -0.0001759600000000, 0.0004958800000000, 0.0003520700000000 ] - [ 0.0033551900000000, -0.0001569600000000, 0.0128738600000000 ] - [ 0.0010639900000000, 0.0010931800000000, 0.0004838700000000 ] - [ 0.0000699800000000, -0.0000668700000000, -0.0000481300000000 ] - [ -0.0001565300000000, -0.0001756000000000, 0.0000307200000000 ] - [ 0.0161546100000000, -0.0065430000000000, 0.0021566900000000 ] - [ 0.0001507800000000, -0.0001289900000000, -0.0002106600000000 ] - [ -0.0029627700000000, -0.0021684600000000, -0.0011213700000000 ] - [ 0.0001392100000000, 0.0000926000000000, -0.0001105600000000 ] - [ 0.0000106600000000, -0.0001229400000000, -0.0000881100000000 ] - [ 0.0008857200000000, -0.0007669000000000, -0.0000419300000000 ] - [ -0.0001658200000000, -0.0000737300000000, -0.0004047800000000 ] - [ -0.0143619000000000, 0.0077060000000000, -0.0004149400000000 ] - [ 0.0050616300000000, 0.0044623400000000, -0.0014932800000000 ] - [ 0.0001403300000000, -0.0000584100000000, 0.0003634800000000 ] - [ -0.0005136900000000, -0.0003467200000000, 0.0005748200000000 ] - [ 0.0004136600000000, -0.0005525800000000, 0.0013772200000000 ] - [ 0.0001726300000000, -0.0001938200000000, 0.0004567600000000 ] - [ -0.0000892700000000, -0.0001138200000000, 0.0002450300000000 ] - [ 0.0000631300000000, 0.0002792300000000, 0.0000323700000000 ] - [ 0.0008812500000000, 0.0000909100000000, 0.0003556200000000 ] - [ -0.0005471500000000, -0.0003001400000000, 0.0001292200000000 ] - [ 0.0003022700000000, 0.0002571700000000, -0.0000048900000000 ] - [ 0.0002998800000000, -0.0001090000000000, -0.0009504800000000 ] - [ 0.0000759600000000, -0.0001987800000000, -0.0009046200000000 ] - [ 0.0002497700000000, 0.0000398300000000, -0.0001608900000000 ] - [ -0.0000736100000000, 0.0000428400000000, -0.0000818900000000 ] - [ 0.0004390100000000, 0.0003019300000000, 0.0000372500000000 ] - [ -0.0008233400000000, -0.0007393500000000, 0.0002752200000000 ] - [ -0.0000088000000000, -0.0000650600000000, 0.0003553000000000 ] - [ 0.0001427000000000, 0.0000197000000000, 0.0003901400000000 ] - [ 0.0002535400000000, 0.0002140100000000, 0.0007082900000000 ] - [ 0.0000435500000000, -0.0001518300000000, 0.0002996600000000 ] - [ -0.0000379800000000, -0.0013044700000000, 0.0026997500000000 ] - [ -0.0000487800000000, -0.0002043100000000, 0.0001982600000000 ] - [ -0.0000463700000000, -0.0003198200000000, 0.0000664700000000 ] - [ 0.0011300600000000, -0.0038469900000000, 0.0003564300000000 ] - [ 0.0296216900000000, 0.0023057600000000, 0.0505250500000000 ] - [ 0.0001583600000000, 0.0002288000000000, -0.0009856100000000 ] - [ 0.0001693400000000, 0.0001145400000000, -0.0000756100000000 ] - [ -0.0007225900000000, -0.0010818500000000, -0.0061384600000000 ] - [ -0.0012837600000000, -0.0000077100000000, 0.0004046400000000 ] - [ 0.0011493600000000, 0.0001772000000000, 0.0004953000000000 ] - [ -0.0000148000000000, -0.0001153900000000, 0.0001298500000000 ] - [ 0.0002674200000000, 0.0004350200000000, -0.0001623300000000 ] - [ -0.0003704200000000, -0.0004410200000000, -0.0002005700000000 ] - [ -0.0000203900000000, 0.0003522600000000, -0.0003174300000000 ] - [ -0.0002220000000000, 0.0005064900000000, -0.0008326400000000 ] - [ 0.0000547100000000, -0.0001741700000000, -0.0003609800000000 ] - [ 0.0000620000000000, 0.0001071500000000, -0.0002602400000000 ] - [ -0.0003841300000000, 0.0004414300000000, 0.0000797100000000 ] - [ 0.0021271500000000, -0.0025134400000000, -0.0000049600000000 ] - [ -0.0003170000000000, -0.0005832400000000, -0.0001543400000000 ] - [ -0.0001901000000000, -0.0008979200000000, 0.0070940200000000 ] - [ 0.0001432300000000, -0.0001167900000000, 0.0005760700000000 ] - [ -0.0053097400000000, 0.0012300300000000, 0.0417918000000000 ] - [ -0.0016849300000000, 0.0001929900000000, -0.0091728400000000 ] - [ 0.0000294200000000, -0.0000310800000000, -0.0006544800000000 ] - [ -0.0002458100000000, 0.0005338800000000, -0.0021914500000000 ] - [ -0.0016960300000000, -0.0010781400000000, -0.0002312900000000 ] - [ 0.0002413300000000, -0.0000226900000000, -0.0001163200000000 ] - [ 0.0000330800000000, 0.0003153400000000, -0.0002348300000000 ] - [ 0.0000992000000000, -0.0001319800000000, 0.0000514700000000 ] - [ 0.0007569000000000, 0.0013750300000000, 0.0006215900000000 ] - [ -0.0031773000000000, -0.0005549900000000, 0.0008633500000000 ] - [ -0.0001465400000000, 0.0001326300000000, 0.0000058400000000 ] - [ 0.0011630300000000, 0.0009027300000000, -0.0015652100000000 ] - [ -0.0001989900000000, -0.0001408300000000, 0.0000252100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004477300000000, 0.0000652500000000, 0.0001836600000000 ] - [ 0.0000184400000000, -0.0007052700000000, -0.0004372700000000 ] - [ -0.0001063100000000, -0.0001428100000000, -0.0002743100000000 ] - [ 0.0000608100000000, 0.0002235100000000, -0.0001974700000000 ] - [ 0.0001697300000000, 0.0000342600000000, -0.0000109500000000 ] - [ 0.0000488700000000, -0.0000685600000000, -0.0000892100000000 ] - [ -0.0000683200000000, 0.0001738700000000, 0.0000918300000000 ] - [ -0.0002000300000000, 0.0000206900000000, -0.0000810700000000 ] - [ 0.0007324500000000, -0.0025581600000000, -0.0001891600000000 ] - [ 0.0082795800000000, 0.0010379500000000, -0.0174081100000000 ] - [ 0.0001529100000000, 0.0004742300000000, 0.0006620700000000 ] - [ 0.0001107600000000, 0.0000293000000000, 0.0000587400000000 ] - [ 0.0002704400000000, 0.0005022700000000, 0.0006601300000000 ] - [ -0.0000086400000000, 0.0000242400000000, 0.0002240100000000 ] - [ 0.0000414800000000, -0.0002345400000000, 0.0002330900000000 ] - [ 0.0001766700000000, 0.0001084400000000, -0.0000232000000000 ] - [ 0.0000177700000000, 0.0001074400000000, 0.0000203400000000 ] - [ -0.0011075200000000, -0.0001339000000000, 0.0021400500000000 ] - [ 0.0000098400000000, 0.0000626700000000, 0.0001077700000000 ] - [ 0.0007233600000000, -0.0027683500000000, -0.0002307600000000 ] - [ -0.0000182300000000, -0.0002610800000000, 0.0001010500000000 ] - [ -0.0003105700000000, -0.0002070000000000, -0.0001504800000000 ] - [ 0.0004974700000000, -0.0000647800000000, -0.0002111700000000 ] - [ -0.0004590900000000, -0.0001430800000000, 0.0000297500000000 ] - [ 0.0269773700000000, 0.0047270400000000, 0.1202266300000000 ] - [ -0.0003038700000000, -0.0001596100000000, 0.0012735800000000 ] - [ 0.0001237300000000, -0.0002872300000000, -0.0000603400000000 ] - [ 0.0002603400000000, -0.0003438000000000, 0.0012689500000000 ] - [ -0.0047113100000000, 0.0008031300000000, -0.0009006100000000 ] - [ 0.0016149000000000, 0.0001143600000000, -0.0000339800000000 ] - [ 0.0000154800000000, -0.0005286700000000, 0.0000616900000000 ] - [ 0.0001576900000000, -0.0005755400000000, 0.0008317500000000 ] - [ -0.0001942400000000, 0.0002833700000000, 0.0002722800000000 ] - [ -0.0002265100000000, -0.0004816300000000, -0.0001643500000000 ] - [ 0.0002268500000000, -0.0002994000000000, -0.0008495300000000 ] - [ -0.0000115800000000, 0.0001133900000000, -0.0001970000000000 ] - [ -0.0004793800000000, -0.0001681700000000, 0.0009287600000000 ] - [ -0.0019219100000000, -0.0014340400000000, 0.0072856100000000 ] - [ 0.0000303200000000, -0.0001936400000000, -0.0000463600000000 ] - [ -0.0000973000000000, -0.0000313300000000, 0.0001274900000000 ] - [ 0.0010621200000000, 0.0017977600000000, -0.0003291800000000 ] - [ -0.0000052800000000, -0.0001181600000000, 0.0002027900000000 ] - [ -0.0003406500000000, -0.0003172300000000, -0.0017600100000000 ] - [ 0.0001200900000000, -0.0000129000000000, -0.0001837500000000 ] - [ -0.0000904800000000, 0.0004274800000000, -0.0017108700000000 ] - [ -0.0000859300000000, -0.0000348200000000, -0.0009313200000000 ] - [ 0.0002194000000000, -0.0000362900000000, -0.0003375700000000 ] - [ -0.0001394000000000, 0.0002217400000000, -0.0003677200000000 ] - [ -0.0000084000000000, -0.0001701100000000, 0.0001981800000000 ] - [ -0.0000008300000000, 0.0001492300000000, 0.0001083200000000 ] - [ -0.0006633700000000, 0.0004089400000000, 0.0000028300000000 ] - [ -0.0005043800000000, -0.0001555500000000, -0.0000096800000000 ] - [ -0.0002651600000000, -0.0001262400000000, -0.0000993500000000 ] - [ 0.0026038500000000, -0.0014369600000000, -0.0004690200000000 ] - [ 0.0000325200000000, 0.0002851900000000, -0.0009513900000000 ] - [ -0.0002409500000000, 0.0000646200000000, -0.0003309200000000 ] - [ 0.0021414300000000, 0.0000449100000000, -0.0079766000000000 ] - [ 0.0001224500000000, -0.0004547900000000, -0.0012564800000000 ] - [ -0.0000746200000000, -0.0001957400000000, -0.0002953700000000 ] - [ -0.0029947900000000, 0.0002198300000000, -0.0129618400000000 ] - [ -0.0011705400000000, -0.0008608100000000, -0.0007189500000000 ] - [ 0.0001964900000000, 0.0000460500000000, -0.0001820100000000 ] - [ 0.0000151500000000, -0.0001134000000000, -0.0002620100000000 ] - [ -0.0161082200000000, 0.0065477300000000, -0.0020939000000000 ] - [ 0.0000022800000000, 0.0001714900000000, 0.0002787000000000 ] - [ 0.0029423600000000, 0.0020444500000000, 0.0011957800000000 ] - [ -0.0000972800000000, -0.0000867500000000, 0.0002520300000000 ] - [ -0.0000507800000000, 0.0001535500000000, 0.0002177600000000 ] - [ -0.0009016200000000, 0.0007269400000000, 0.0001717500000000 ] - [ 0.0000769400000000, -0.0003672600000000, 0.0000544100000000 ] - [ 0.0149066000000000, -0.0076421300000000, 0.0000836600000000 ] - [ -0.0054310600000000, -0.0041877400000000, 0.0011308600000000 ] - [ -0.0000911400000000, -0.0002253400000000, 0.0001767500000000 ] - [ 0.0002476200000000, 0.0004469900000000, -0.0000250000000000 ] - [ -0.0001819800000000, 0.0002114400000000, -0.0015795900000000 ] - [ 0.0000523500000000, 0.0003723900000000, 0.0000815300000000 ] - [ -0.0003041800000000, 0.0001247100000000, -0.0004443900000000 ] - [ 0.0001160400000000, 0.0001128700000000, -0.0002353700000000 ] - [ -0.0005446100000000, -0.0005454800000000, -0.0003623500000000 ] - [ -0.0000284600000000, 0.0002487400000000, -0.0001368100000000 ] - [ -0.0000832300000000, 0.0002603400000000, 0.0000061800000000 ] - [ -0.0004705100000000, -0.0002798800000000, 0.0009698000000000 ] - [ -0.0003230100000000, 0.0004936500000000, 0.0009224900000000 ] - [ 0.0001008800000000, 0.0000181000000000, 0.0001712100000000 ] - [ -0.0000506800000000, 0.0001937600000000, -0.0001832300000000 ] - [ -0.0001686200000000, -0.0003215100000000, -0.0003038100000000 ] - [ 0.0007013100000000, 0.0004420700000000, -0.0005389500000000 ] - [ -0.0000998100000000, 0.0001781700000000, -0.0002361400000000 ] - [ 0.0000084400000000, 0.0000165800000000, -0.0002714500000000 ] - [ -0.0002701400000000, -0.0003266900000000, -0.0005808300000000 ] - [ -0.0003657900000000, 0.0003702300000000, -0.0002118500000000 ] - [ -0.0000506100000000, 0.0009426400000000, -0.0026119400000000 ] - [ 0.0004090100000000, 0.0003610300000000, -0.0001092200000000 ] - [ -0.0001334100000000, 0.0004797000000000, -0.0000079500000000 ] - [ -0.0011646500000000, 0.0035964200000000, -0.0002998500000000 ] - [ -0.0316210200000000, -0.0023448300000000, -0.0526577400000000 ] - [ -0.0004673400000000, -0.0000408600000000, 0.0010503300000000 ] - [ -0.0001936100000000, -0.0004847100000000, 0.0001387900000000 ] - [ 0.0009881700000000, 0.0012647900000000, 0.0061986800000000 ] - [ 0.0010248800000000, 0.0001699500000000, -0.0003285700000000 ] - [ -0.0011489300000000, -0.0004858500000000, -0.0004257300000000 ] - [ 0.0003026500000000, 0.0002759100000000, -0.0000632000000000 ] - [ -0.0006008500000000, -0.0002519400000000, 0.0002740800000000 ] - [ 0.0003594800000000, 0.0000592000000000, 0.0003145800000000 ] - [ 0.0003474000000000, -0.0001738500000000, 0.0004345700000000 ] - [ -0.0000180300000000, -0.0003584500000000, 0.0008437800000000 ] - [ -0.0000697300000000, -0.0001058200000000, 0.0003746000000000 ] - [ 0.0002035300000000, 0.0000290200000000, 0.0002688500000000 ] - [ 0.0007658400000000, -0.0004188000000000, -0.0003024000000000 ] - [ -0.0023464400000000, 0.0027982400000000, -0.0002163800000000 ] - [ 0.0001387100000000, 0.0002508100000000, -0.0000681700000000 ] - [ -0.0002157600000000, 0.0006222300000000, -0.0068872200000000 ] - [ 0.0002809100000000, -0.0000782600000000, -0.0003699500000000 ] - [ 0.0039046700000000, -0.0005303000000000, -0.0414949600000000 ] - [ 0.0021247800000000, -0.0001687800000000, 0.0089413300000000 ] - [ -0.0002461700000000, 0.0003360700000000, 0.0004293600000000 ] - [ 0.0000808700000000, -0.0008750000000000, 0.0019547800000000 ] - [ 0.0012904700000000, 0.0008317300000000, 0.0004940100000000 ] - [ 0.0001605600000000, -0.0001798200000000, 0.0003773200000000 ] - [ -0.0000444100000000, 0.0001548800000000, 0.0004923200000000 ] - [ 0.0002992100000000, 0.0001714700000000, -0.0002135300000000 ] - [ -0.0009629200000000, -0.0010693500000000, -0.0007873100000000 ] - [ 0.0030024500000000, 0.0002028100000000, -0.0010266800000000 ] - [ -0.0002501400000000, -0.0003900200000000, 0.0001994600000000 ] - [ -0.0007814500000000, -0.0011065500000000, 0.0017739700000000 ] - [ 0.0001792300000000, 0.0006173200000000, 0.0001888100000000 ]- atom: 27 displacement: [ 0.0100000000000000, -0.0000000000071070, 0.0000000000000000 ] forces: - [ 0.0007420400000000, -0.0000761100000000, 0.0002206000000000 ] - [ -0.0009226300000000, 0.0000898700000000, -0.0001238800000000 ] - [ 0.0209115300000000, 0.0025117700000000, -0.0006854900000000 ] - [ -0.0005102500000000, 0.0000404700000000, 0.0000075600000000 ] - [ -0.0000818500000000, 0.0005522500000000, 0.0001409300000000 ] - [ -0.0026897800000000, 0.0000553500000000, -0.0000456300000000 ] - [ -0.0005036900000000, 0.0000199500000000, 0.0000486400000000 ] - [ 0.0011341300000000, 0.0000346600000000, 0.0001642100000000 ] - [ -0.0002555400000000, -0.0005114700000000, -0.0002522900000000 ] - [ 0.0001137000000000, 0.0001767800000000, 0.0000165200000000 ] - [ -0.0001204100000000, -0.0005252300000000, -0.0001322000000000 ] - [ -0.0002375000000000, 0.0005283600000000, -0.0000397300000000 ] - [ 0.0001942600000000, 0.0003958900000000, -0.0001146500000000 ] - [ -0.0001579900000000, 0.0001734000000000, -0.0000965900000000 ] - [ -0.0005029400000000, 0.0004385000000000, -0.0000101800000000 ] - [ 0.0026385200000000, -0.0006852400000000, 0.0016007400000000 ] - [ -0.0004032100000000, -0.0007742300000000, 0.0010137400000000 ] - [ 0.0000574500000000, -0.0003782200000000, -0.0000536800000000 ] - [ 0.0008565700000000, 0.0004537800000000, 0.0001421700000000 ] - [ 0.0014181300000000, 0.0002707800000000, -0.0003038800000000 ] - [ -0.0001034000000000, -0.0007422500000000, -0.0007655400000000 ] - [ 0.0000691400000000, -0.0005744000000000, -0.0000894000000000 ] - [ 0.0012483300000000, -0.0004723500000000, 0.0002204000000000 ] - [ -0.0015070200000000, -0.0002442100000000, 0.0004586200000000 ] - [ 0.0000180200000000, 0.0000288300000000, 0.0002776500000000 ] - [ 0.0013126200000000, 0.0015253200000000, 0.0011187800000000 ] - [ -0.1707784300000000, 0.0885855300000000, -0.0024460100000000 ] - [ -0.0005069400000000, -0.0024183700000000, -0.0012844900000000 ] - [ 0.0010342600000000, -0.0005633500000000, -0.0001477900000000 ] - [ 0.0004296600000000, 0.0002530100000000, -0.0001653200000000 ] - [ 0.0037475100000000, 0.0017320600000000, -0.0049378000000000 ] - [ 0.0005277000000000, -0.0003283600000000, 0.0001831800000000 ] - [ 0.0012135000000000, 0.0000582200000000, -0.0005877600000000 ] - [ -0.0004200000000000, -0.0000287400000000, -0.0008325700000000 ] - [ 0.0006102200000000, -0.0000337400000000, -0.0000353100000000 ] - [ 0.0008052700000000, -0.0000573700000000, 0.0000781300000000 ] - [ -0.0001918300000000, -0.0008483500000000, -0.0002908500000000 ] - [ 0.0000136100000000, 0.0010150800000000, -0.0002254400000000 ] - [ 0.0015172000000000, 0.0002053000000000, 0.0004432400000000 ] - [ 0.0036207700000000, -0.0039617400000000, 0.0012382900000000 ] - [ 0.0011587500000000, 0.0009157300000000, -0.0003153400000000 ] - [ 0.0009051100000000, 0.0001979700000000, 0.0001020700000000 ] - [ -0.0000384700000000, -0.0003260000000000, 0.0000355300000000 ] - [ -0.0018207300000000, 0.0006697300000000, -0.0001670500000000 ] - [ -0.0000901400000000, 0.0004285300000000, -0.0000035500000000 ] - [ 0.0016598200000000, 0.0006367700000000, 0.0008485900000000 ] - [ 0.0006010600000000, -0.0007949900000000, 0.0005178300000000 ] - [ 0.0007323900000000, 0.0006160500000000, -0.0005481300000000 ] - [ -0.0002002300000000, 0.0002129300000000, 0.0005902800000000 ] - [ -0.0001952700000000, -0.0007832100000000, 0.0003811800000000 ] - [ 0.0006488400000000, -0.0003523600000000, -0.0001470100000000 ] - [ -0.0000110200000000, -0.0000348500000000, 0.0003392500000000 ] - [ -0.0035571200000000, 0.0007741200000000, -0.0019729300000000 ] - [ 0.0008731100000000, 0.0002641000000000, -0.0000684000000000 ] - [ 0.0003904900000000, 0.0002188100000000, 0.0001845400000000 ] - [ -0.0008383200000000, -0.0001993300000000, 0.0001612600000000 ] - [ 0.0000676500000000, 0.0002708600000000, -0.0000102500000000 ] - [ 0.0002044400000000, 0.0003354100000000, -0.0003945500000000 ] - [ -0.0021886300000000, -0.0005302400000000, 0.0017518500000000 ] - [ 0.0003284100000000, 0.0000697700000000, 0.0000295800000000 ] - [ -0.0008075300000000, 0.0002823700000000, 0.0000014900000000 ] - [ 0.0005120600000000, 0.0006646200000000, -0.0000919500000000 ] - [ 0.0002239900000000, -0.0008836600000000, -0.0000874100000000 ] - [ -0.0001345800000000, 0.0004867900000000, -0.0000758400000000 ] - [ -0.0003006300000000, 0.0006624000000000, 0.0014035300000000 ] - [ -0.0001115600000000, -0.0008534100000000, -0.0004394100000000 ] - [ -0.0086901100000000, 0.0038462000000000, 0.0000548500000000 ] - [ 0.0001870700000000, -0.0003494100000000, -0.0000117300000000 ] - [ 0.0020978400000000, -0.0021580900000000, 0.0004601000000000 ] - [ 0.0074520600000000, 0.0038553800000000, 0.0026825600000000 ] - [ 0.0000893200000000, 0.0007529700000000, -0.0000457000000000 ] - [ -0.0003979600000000, -0.0006046800000000, 0.0001894300000000 ] - [ 0.0018153200000000, -0.0007942800000000, 0.0010544500000000 ] - [ 0.0039579800000000, 0.0041842700000000, 0.0029467200000000 ] - [ 0.0006479800000000, -0.0003446900000000, -0.0001153800000000 ] - [ 0.0011497600000000, -0.0003137800000000, 0.0001178300000000 ] - [ 0.0003400500000000, 0.0000791000000000, -0.0001079400000000 ] - [ -0.0025786700000000, -0.0001658000000000, 0.0011106600000000 ] - [ 0.0003011700000000, -0.0013406900000000, -0.0003066400000000 ] - [ -0.0004426400000000, -0.0000157900000000, 0.0000453100000000 ] - [ 0.0094589300000000, -0.0100196300000000, -0.0088188600000000 ] - [ 0.0002253600000000, -0.0011143500000000, 0.0002637100000000 ] - [ -0.0002090200000000, 0.0000223800000000, -0.0000661200000000 ] - [ 0.0065590400000000, -0.0099358400000000, 0.0104594000000000 ] - [ 0.0020760200000000, 0.0007798000000000, -0.0003991000000000 ] - [ 0.0001640600000000, -0.0017409700000000, 0.0003010200000000 ] - [ -0.0006932000000000, 0.0014327300000000, -0.0001068200000000 ] - [ 0.0011074300000000, -0.0002406400000000, -0.0014252300000000 ] - [ 0.0002091900000000, -0.0004117100000000, 0.0001483200000000 ] - [ -0.0009797600000000, -0.0001440600000000, 0.0000790200000000 ] - [ -0.0017283700000000, 0.0001219600000000, -0.0001606600000000 ] - [ -0.0012914500000000, -0.0024683800000000, 0.0004140400000000 ] - [ -0.0010598900000000, 0.0017925500000000, 0.0014190700000000 ] - [ 0.0153670700000000, 0.0269020100000000, 0.0010611300000000 ] - [ -0.0005580300000000, -0.0011498300000000, 0.0004952300000000 ] - [ -0.0001459800000000, 0.0004998700000000, 0.0000361900000000 ] - [ -0.0002091300000000, 0.0004116300000000, 0.0002101300000000 ] - [ 0.0000770300000000, -0.0009002400000000, -0.0007142000000000 ] - [ 0.0003338000000000, -0.0001489100000000, 0.0000620200000000 ] - [ -0.0001541300000000, 0.0003193300000000, 0.0000229700000000 ] - [ -0.0008525600000000, 0.0008992800000000, -0.0001633600000000 ] - [ 0.0053566700000000, -0.0013860300000000, -0.0043031800000000 ] - [ 0.0014591500000000, -0.0002287400000000, -0.0001206700000000 ] - [ -0.0002655500000000, 0.0011758300000000, 0.0001214900000000 ] - [ -0.0059590600000000, -0.0000852400000000, 0.0006221800000000 ] - [ -0.0015228600000000, 0.0003331900000000, 0.0000760000000000 ] - [ 0.0001380900000000, 0.0003229500000000, -0.0027019600000000 ] - [ -0.0009629700000000, -0.0000663100000000, -0.0004061400000000 ] - [ -0.0013165900000000, -0.0001143000000000, 0.0003062700000000 ] - [ -0.0020457800000000, 0.0002537000000000, -0.0003445400000000 ] - [ 0.0014896800000000, 0.0014980700000000, 0.0057600900000000 ] - [ -0.0001975100000000, 0.0019589300000000, -0.0001711400000000 ] - [ -0.0023634100000000, -0.0013669500000000, -0.0048520500000000 ] - [ -0.0000032800000000, -0.0009204400000000, 0.0000888500000000 ] - [ -0.0000241700000000, 0.0003208700000000, -0.0001802200000000 ] - [ 0.0036003500000000, 0.0002822400000000, -0.0009698200000000 ] - [ -0.0005051300000000, -0.0010169600000000, 0.0000573900000000 ] - [ 0.0008445700000000, 0.0000230000000000, -0.0003294200000000 ] - [ 0.0000034000000000, 0.0011915300000000, 0.0000255900000000 ] - [ -0.0008597800000000, -0.0008007300000000, 0.0007338200000000 ] - [ 0.1164767200000000, -0.1034786400000000, 0.0022815800000000 ] - [ -0.0002795600000000, 0.0003308500000000, -0.0000339100000000 ] - [ -0.0019533600000000, 0.0026915700000000, 0.0001188200000000 ] - [ -0.0028737600000000, -0.0002747100000000, 0.0003972200000000 ] - [ -0.0022736400000000, -0.0048905000000000, -0.0001245400000000 ] - [ -0.0019404000000000, 0.0038388400000000, -0.0029761800000000 ]- atom: 27 displacement: [ -0.0100000000000000, 0.0000000000071070, 0.0000000000000000 ] forces: - [ -0.0007795900000000, 0.0001243400000000, 0.0000866000000000 ] - [ 0.0006555800000000, 0.0000850500000000, -0.0000998300000000 ] - [ -0.0227466200000000, -0.0030126900000000, 0.0004902900000000 ] - [ 0.0008035600000000, 0.0000177000000000, -0.0002367900000000 ] - [ 0.0001232400000000, -0.0005571200000000, 0.0001507100000000 ] - [ 0.0027577600000000, 0.0000349500000000, 0.0003477200000000 ] - [ 0.0004995000000000, 0.0001044000000000, -0.0000479500000000 ] - [ -0.0013473900000000, 0.0001188800000000, -0.0001187600000000 ] - [ 0.0001530100000000, 0.0002399500000000, 0.0002888200000000 ] - [ 0.0001269200000000, -0.0001586100000000, 0.0000172200000000 ] - [ 0.0000847800000000, 0.0005055100000000, 0.0001299500000000 ] - [ 0.0003535300000000, -0.0005019500000000, 0.0000417100000000 ] - [ -0.0002191900000000, -0.0002590000000000, 0.0000630500000000 ] - [ -0.0000784200000000, -0.0000002600000000, -0.0000846000000000 ] - [ 0.0003937200000000, -0.0007412300000000, -0.0001679600000000 ] - [ -0.0023542200000000, 0.0007083500000000, -0.0017807700000000 ] - [ 0.0003722600000000, 0.0007308900000000, -0.0010701500000000 ] - [ 0.0000717500000000, 0.0004180600000000, 0.0000088000000000 ] - [ -0.0007859800000000, -0.0004430000000000, -0.0000583800000000 ] - [ -0.0014624000000000, -0.0002207700000000, 0.0003802200000000 ] - [ 0.0000801800000000, 0.0006817400000000, 0.0008474100000000 ] - [ -0.0001818500000000, 0.0001285700000000, -0.0002540400000000 ] - [ -0.0007995500000000, 0.0005953000000000, -0.0005673500000000 ] - [ 0.0011705600000000, 0.0005587900000000, -0.0008053100000000 ] - [ 0.0000473800000000, -0.0003257200000000, 0.0002822100000000 ] - [ -0.0015981300000000, -0.0014314800000000, -0.0005489000000000 ] - [ 0.1711737200000000, -0.0842904600000000, 0.0020973400000000 ] - [ 0.0007508300000000, 0.0025944500000000, 0.0018439300000000 ] - [ -0.0014295000000000, 0.0005819300000000, -0.0000784900000000 ] - [ -0.0002373800000000, 0.0001459300000000, -0.0000641700000000 ] - [ -0.0034162500000000, -0.0021952700000000, 0.0048997800000000 ] - [ -0.0010981500000000, 0.0002539400000000, -0.0002569800000000 ] - [ -0.0010119000000000, 0.0004718400000000, 0.0005221600000000 ] - [ 0.0002587700000000, -0.0003696200000000, 0.0008183800000000 ] - [ -0.0008563000000000, 0.0003280200000000, 0.0000125300000000 ] - [ -0.0004412600000000, 0.0001215900000000, -0.0001060900000000 ] - [ 0.0000753100000000, 0.0010701400000000, 0.0000272300000000 ] - [ 0.0002497000000000, -0.0010293500000000, -0.0000416300000000 ] - [ -0.0016409900000000, -0.0004907400000000, -0.0007111000000000 ] - [ -0.0037395400000000, 0.0041012600000000, -0.0011582200000000 ] - [ -0.0010019300000000, -0.0009004700000000, 0.0003957900000000 ] - [ -0.0009391600000000, -0.0003052700000000, -0.0000117900000000 ] - [ 0.0000873700000000, 0.0003375100000000, 0.0000299900000000 ] - [ 0.0017836800000000, -0.0006379000000000, 0.0002253700000000 ] - [ 0.0000805200000000, -0.0004749500000000, 0.0000623800000000 ] - [ -0.0017610200000000, -0.0010905900000000, -0.0011889800000000 ] - [ -0.0001608600000000, 0.0009376700000000, -0.0008608700000000 ] - [ -0.0010778400000000, -0.0003137700000000, 0.0002083400000000 ] - [ 0.0002652100000000, -0.0004964300000000, -0.0000041600000000 ] - [ -0.0000827300000000, 0.0008706400000000, 0.0002111700000000 ] - [ -0.0004000800000000, -0.0000054300000000, -0.0001101600000000 ] - [ 0.0002329500000000, 0.0002206400000000, 0.0002417800000000 ] - [ 0.0031926800000000, -0.0007606000000000, 0.0017016500000000 ] - [ -0.0006910100000000, 0.0001275200000000, -0.0001885200000000 ] - [ -0.0000606400000000, -0.0006861600000000, -0.0002411800000000 ] - [ 0.0002573200000000, 0.0001606900000000, -0.0002168200000000 ] - [ 0.0001701600000000, 0.0002466700000000, -0.0000388500000000 ] - [ -0.0003770700000000, -0.0007404100000000, 0.0004503100000000 ] - [ 0.0019490200000000, 0.0008100900000000, -0.0016756300000000 ] - [ 0.0000387000000000, -0.0000071200000000, 0.0000149500000000 ] - [ 0.0006919600000000, -0.0000507000000000, -0.0002294800000000 ] - [ -0.0002439900000000, -0.0006847500000000, -0.0001384900000000 ] - [ -0.0003590900000000, 0.0005947700000000, -0.0001442500000000 ] - [ 0.0000255400000000, -0.0003812700000000, 0.0001464400000000 ] - [ 0.0004485900000000, -0.0006194300000000, -0.0013353100000000 ] - [ 0.0001005300000000, 0.0007381900000000, 0.0005184500000000 ] - [ 0.0086938300000000, -0.0038326100000000, 0.0000876700000000 ] - [ -0.0002229000000000, 0.0003810200000000, 0.0001389000000000 ] - [ -0.0021084200000000, 0.0021140300000000, -0.0003294100000000 ] - [ -0.0075162400000000, -0.0042435100000000, -0.0030266500000000 ] - [ 0.0003433400000000, -0.0006138100000000, -0.0003071100000000 ] - [ 0.0000584300000000, 0.0008974100000000, -0.0005415800000000 ] - [ -0.0017692300000000, 0.0005122000000000, -0.0005189200000000 ] - [ -0.0042495200000000, -0.0041085500000000, -0.0024143900000000 ] - [ -0.0004003800000000, -0.0000116100000000, -0.0000884800000000 ] - [ -0.0009229600000000, 0.0004874300000000, 0.0004180500000000 ] - [ -0.0007344500000000, -0.0000666700000000, -0.0000926600000000 ] - [ 0.0027671700000000, 0.0005589400000000, -0.0012930000000000 ] - [ 0.0000400600000000, 0.0008876500000000, 0.0003022000000000 ] - [ -0.0001318200000000, -0.0000263100000000, -0.0000541900000000 ] - [ -0.0091059700000000, 0.0103377400000000, 0.0086381100000000 ] - [ -0.0003908900000000, 0.0007252400000000, -0.0002439100000000 ] - [ -0.0000282800000000, 0.0002694400000000, 0.0000798500000000 ] - [ -0.0061275500000000, 0.0098186400000000, -0.0102553400000000 ] - [ -0.0021987400000000, -0.0005431200000000, 0.0001335000000000 ] - [ 0.0001115700000000, 0.0017279000000000, -0.0005700500000000 ] - [ 0.0005667400000000, -0.0017376500000000, -0.0001591900000000 ] - [ -0.0012094800000000, 0.0003513600000000, 0.0015411700000000 ] - [ -0.0000537300000000, 0.0004475800000000, -0.0000322700000000 ] - [ 0.0009606100000000, 0.0000314800000000, 0.0000532000000000 ] - [ 0.0014051400000000, 0.0001003200000000, 0.0002479400000000 ] - [ 0.0012368300000000, 0.0020792800000000, -0.0003286500000000 ] - [ 0.0014212800000000, -0.0016484200000000, -0.0013357400000000 ] - [ -0.0158778100000000, -0.0265199200000000, -0.0010043900000000 ] - [ 0.0005142600000000, 0.0009209100000000, -0.0004375900000000 ] - [ 0.0003799000000000, -0.0004099900000000, 0.0000156500000000 ] - [ -0.0001103600000000, -0.0002298900000000, -0.0001480300000000 ] - [ -0.0000974300000000, 0.0005296900000000, 0.0007755100000000 ] - [ -0.0000200000000000, 0.0003196000000000, 0.0000000200000000 ] - [ -0.0001098300000000, -0.0001549100000000, 0.0000505300000000 ] - [ 0.0008432700000000, -0.0012047800000000, 0.0002328700000000 ] - [ -0.0050487200000000, 0.0015293000000000, 0.0043613200000000 ] - [ -0.0018035400000000, 0.0003985000000000, 0.0002148500000000 ] - [ 0.0002513900000000, -0.0015593700000000, -0.0000056800000000 ] - [ 0.0062618000000000, 0.0002634400000000, -0.0005085800000000 ] - [ 0.0012874300000000, -0.0001734900000000, -0.0000624900000000 ] - [ -0.0001632900000000, -0.0006050900000000, 0.0027289700000000 ] - [ 0.0012290500000000, 0.0002027600000000, 0.0004158000000000 ] - [ 0.0016975400000000, 0.0001393500000000, -0.0005312800000000 ] - [ 0.0018335100000000, 0.0000537300000000, 0.0001221400000000 ] - [ -0.0016981100000000, -0.0018419200000000, -0.0060185200000000 ] - [ -0.0002170300000000, -0.0022353700000000, 0.0003660700000000 ] - [ 0.0027960300000000, 0.0011773600000000, 0.0050597500000000 ] - [ -0.0000472800000000, 0.0014193100000000, 0.0001145800000000 ] - [ 0.0004145600000000, -0.0002901300000000, -0.0000428000000000 ] - [ -0.0038046400000000, 0.0000180300000000, 0.0007221800000000 ] - [ 0.0003415900000000, 0.0006713700000000, -0.0002871600000000 ] - [ -0.0012487200000000, -0.0002694100000000, 0.0005768600000000 ] - [ 0.0003876000000000, -0.0013937800000000, 0.0002358800000000 ] - [ 0.0008374500000000, 0.0012720900000000, -0.0004747500000000 ] - [ -0.1143160700000000, 0.0992155700000000, -0.0023841100000000 ] - [ 0.0000634200000000, -0.0000329300000000, -0.0001216600000000 ] - [ 0.0017781900000000, -0.0030413600000000, -0.0002864600000000 ] - [ 0.0024759600000000, 0.0000224200000000, -0.0001897900000000 ] - [ 0.0026663400000000, 0.0047085400000000, 0.0003399600000000 ] - [ 0.0019228200000000, -0.0033784500000000, 0.0032005600000000 ]- atom: 27 displacement: [ -0.0049999999943570, 0.0086602540411024, 0.0000000000000000 ] forces: - [ -0.0021065000000000, -0.0017566200000000, 0.0033155100000000 ] - [ 0.0001941400000000, 0.0001075800000000, -0.0000605500000000 ] - [ -0.0088527400000000, 0.0035417100000000, 0.0002592600000000 ] - [ 0.0008967900000000, -0.0002283400000000, -0.0002538500000000 ] - [ 0.0007134100000000, -0.0010537300000000, 0.0003059700000000 ] - [ 0.0039156000000000, 0.0006498100000000, 0.0004794400000000 ] - [ 0.0003247300000000, 0.0002742600000000, -0.0001085800000000 ] - [ -0.0010664600000000, 0.0009083900000000, -0.0014176000000000 ] - [ -0.0001913800000000, -0.0003998900000000, -0.0000761200000000 ] - [ -0.0002629000000000, -0.0007759400000000, 0.0000320100000000 ] - [ -0.0000795700000000, 0.0005487600000000, -0.0000669600000000 ] - [ 0.0005524400000000, -0.0003281300000000, 0.0001547300000000 ] - [ 0.0006665400000000, -0.0017307500000000, 0.0001548800000000 ] - [ 0.0001314700000000, -0.0006123600000000, -0.0004646300000000 ] - [ 0.0005171000000000, -0.0009181400000000, -0.0002190700000000 ] - [ -0.0020865700000000, 0.0018826100000000, -0.0027062600000000 ] - [ -0.0010211000000000, 0.0010590800000000, 0.0003112200000000 ] - [ -0.0004357400000000, -0.0003839300000000, -0.0000663400000000 ] - [ -0.0004246100000000, -0.0002957600000000, 0.0001000800000000 ] - [ -0.0005011700000000, -0.0001454200000000, 0.0001449900000000 ] - [ -0.0001006700000000, -0.0010482100000000, 0.0007967600000000 ] - [ -0.0008577000000000, 0.0004906100000000, -0.0004938100000000 ] - [ -0.0010646900000000, 0.0003582200000000, -0.0006888700000000 ] - [ 0.0011488300000000, 0.0005268200000000, -0.0014498700000000 ] - [ 0.0010686200000000, 0.0003143700000000, 0.0003696800000000 ] - [ 0.0011222100000000, 0.0005904300000000, 0.0009663100000000 ] - [ 0.1552405300000000, -0.2809820500000000, 0.0023278000000000 ] - [ -0.0018494000000000, 0.0111742800000000, 0.0048033900000000 ] - [ -0.0016889400000000, 0.0011181200000000, -0.0001083600000000 ] - [ 0.0003563500000000, 0.0017658900000000, -0.0002488500000000 ] - [ -0.0008577000000000, -0.0031881700000000, 0.0010134200000000 ] - [ -0.0005941400000000, -0.0001328400000000, -0.0001310000000000 ] - [ -0.0012482000000000, 0.0005249900000000, 0.0005738800000000 ] - [ -0.0002335800000000, -0.0012228500000000, 0.0003165800000000 ] - [ -0.0005094700000000, 0.0001973000000000, 0.0000929300000000 ] - [ -0.0004727000000000, 0.0001708700000000, -0.0001056500000000 ] - [ -0.0019481400000000, 0.0017345500000000, -0.0000100900000000 ] - [ 0.0015926500000000, 0.0005600100000000, -0.0004539500000000 ] - [ 0.0000979500000000, -0.0025804100000000, 0.0001807900000000 ] - [ -0.0051494800000000, 0.0034385200000000, -0.0014356400000000 ] - [ 0.0000596800000000, -0.0006573200000000, -0.0001153000000000 ] - [ -0.0006611400000000, -0.0004639800000000, -0.0003250800000000 ] - [ 0.0004845300000000, 0.0017398900000000, -0.0000534700000000 ] - [ 0.0029671800000000, -0.0016265500000000, -0.0010506800000000 ] - [ 0.0002122100000000, 0.0005031500000000, 0.0000420700000000 ] - [ -0.0001087000000000, -0.0007752600000000, -0.0001294700000000 ] - [ -0.0006708700000000, 0.0001539200000000, -0.0010887600000000 ] - [ -0.0009638400000000, -0.0004600200000000, 0.0001886500000000 ] - [ -0.0002778500000000, -0.0011154300000000, -0.0001848500000000 ] - [ -0.0003607300000000, 0.0011390200000000, 0.0002383400000000 ] - [ -0.0002816400000000, 0.0007549000000000, -0.0001458100000000 ] - [ 0.0001011800000000, 0.0011746200000000, 0.0003989800000000 ] - [ 0.0019269600000000, -0.0031185800000000, 0.0016017800000000 ] - [ -0.0004400600000000, 0.0005097100000000, -0.0001602500000000 ] - [ 0.0005679100000000, -0.0000086900000000, 0.0000890400000000 ] - [ -0.0000958500000000, -0.0001723600000000, -0.0019125400000000 ] - [ 0.0007456900000000, 0.0007240000000000, -0.0001346900000000 ] - [ 0.0004194600000000, 0.0000063800000000, -0.0000728300000000 ] - [ 0.0015907600000000, 0.0068886600000000, -0.0118257500000000 ] - [ 0.0006007400000000, 0.0006613700000000, 0.0000398300000000 ] - [ 0.0013921800000000, 0.0005771100000000, -0.0000757900000000 ] - [ -0.0001140500000000, -0.0018315200000000, 0.0000407100000000 ] - [ -0.0012574600000000, 0.0011046800000000, -0.0000575200000000 ] - [ 0.0003036300000000, 0.0005206400000000, 0.0000063300000000 ] - [ 0.0012144900000000, -0.0011289800000000, 0.0007804700000000 ] - [ -0.0000784300000000, 0.0028494800000000, 0.0017475800000000 ] - [ 0.0041714700000000, 0.0223445100000000, 0.0014623200000000 ] - [ -0.0013470800000000, 0.0011328000000000, 0.0000894900000000 ] - [ -0.0028759600000000, 0.0026007800000000, -0.0004894100000000 ] - [ 0.0077457500000000, -0.0008071700000000, 0.0020377300000000 ] - [ 0.0007190900000000, 0.0005434900000000, -0.0001842300000000 ] - [ 0.0000301900000000, 0.0028928200000000, -0.0011024200000000 ] - [ -0.0022962700000000, 0.0006143000000000, -0.0006330600000000 ] - [ -0.0005152800000000, -0.0033289800000000, 0.0001192800000000 ] - [ -0.0002870200000000, 0.0007573200000000, -0.0000666500000000 ] - [ -0.0004842900000000, -0.0000291700000000, 0.0003407800000000 ] - [ -0.0002024700000000, 0.0005247000000000, -0.0000201700000000 ] - [ 0.0013496900000000, -0.0029779800000000, -0.0024672400000000 ] - [ -0.0002583400000000, 0.0012158200000000, 0.0003417400000000 ] - [ -0.0009350800000000, 0.0034667400000000, -0.0000811600000000 ] - [ -0.0151972900000000, 0.0044133400000000, 0.0105763400000000 ] - [ -0.0006781500000000, 0.0011772400000000, -0.0004118200000000 ] - [ -0.0003489400000000, 0.0022999100000000, -0.0007373100000000 ] - [ -0.0116329000000000, 0.0043351100000000, -0.0122912800000000 ] - [ -0.0019720500000000, -0.0014555600000000, -0.0001500300000000 ] - [ -0.0009139700000000, 0.0020041800000000, -0.0006592200000000 ] - [ 0.0025456800000000, -0.0011146600000000, 0.0003905000000000 ] - [ -0.0015827400000000, 0.0001683400000000, 0.0020742000000000 ] - [ -0.0005863900000000, 0.0007911300000000, 0.0001797700000000 ] - [ 0.0011363100000000, 0.0003126900000000, 0.0019121000000000 ] - [ 0.0001305200000000, 0.0004879100000000, 0.0002663900000000 ] - [ -0.0000758900000000, 0.0013414800000000, 0.0003372800000000 ] - [ 0.0025255600000000, -0.0007182300000000, -0.0018595800000000 ] - [ 0.0097589200000000, 0.0374023400000000, 0.0022775700000000 ] - [ -0.0009463500000000, -0.0009034600000000, 0.0002488100000000 ] - [ -0.0004054900000000, -0.0018423800000000, 0.0000275100000000 ] - [ 0.0008402600000000, -0.0010971200000000, -0.0005907700000000 ] - [ -0.0015133700000000, 0.0009861000000000, 0.0004451900000000 ] - [ -0.0006837900000000, -0.0005895300000000, 0.0000974700000000 ] - [ 0.0003758900000000, -0.0012444200000000, 0.0005720900000000 ] - [ 0.0010129700000000, -0.0015748700000000, 0.0002880000000000 ] - [ -0.0045586000000000, 0.0030663400000000, 0.0061011100000000 ] - [ -0.0045598000000000, -0.0040521000000000, -0.0063557600000000 ] - [ 0.0011399300000000, -0.0022868200000000, -0.0002916500000000 ] - [ 0.0083275300000000, 0.0007727800000000, -0.0007014400000000 ] - [ 0.0003231200000000, -0.0002432800000000, -0.0000887300000000 ] - [ 0.0011293600000000, 0.0020080800000000, 0.0013036500000000 ] - [ 0.0012946000000000, 0.0001448200000000, 0.0004756500000000 ] - [ 0.0016438800000000, -0.0003679700000000, -0.0005977300000000 ] - [ 0.0007430300000000, 0.0000065200000000, -0.0001466600000000 ] - [ 0.0001633200000000, 0.0022353400000000, -0.0028337500000000 ] - [ 0.0032052100000000, -0.0079164600000000, 0.0009739700000000 ] - [ -0.0029264700000000, 0.0035056800000000, -0.0037391400000000 ] - [ -0.0016334300000000, -0.0009962800000000, 0.0001296600000000 ] - [ -0.0004665000000000, -0.0020858700000000, -0.0000363500000000 ] - [ -0.0049886900000000, 0.0055991400000000, 0.0086077900000000 ] - [ -0.0005830800000000, -0.0009149000000000, -0.0002384300000000 ] - [ -0.0021841400000000, -0.0018152400000000, -0.0000531200000000 ] - [ 0.0015100800000000, -0.0022577700000000, 0.0002122300000000 ] - [ 0.0015417500000000, 0.0027011600000000, -0.0008375200000000 ] - [ -0.1362183600000000, 0.1937440300000000, -0.0029568500000000 ] - [ 0.0012388900000000, -0.0039998700000000, 0.0010039900000000 ] - [ 0.0025643200000000, -0.0040720600000000, -0.0001676700000000 ] - [ 0.0018382100000000, 0.0007117500000000, 0.0000665800000000 ] - [ -0.0008550600000000, 0.0033657200000000, -0.0000488000000000 ] - [ 0.0034959000000000, -0.0030848200000000, 0.0039041900000000 ]- atom: 27 displacement: [ 0.0049999999943570, -0.0086602540411024, 0.0000000000000000 ] forces: - [ 0.0020883900000000, 0.0018178300000000, -0.0030494200000000 ] - [ -0.0004652000000000, 0.0000660500000000, -0.0001633000000000 ] - [ 0.0085102700000000, -0.0039579100000000, -0.0004813000000000 ] - [ -0.0006059600000000, 0.0002899600000000, 0.0000244700000000 ] - [ -0.0006756400000000, 0.0010531900000000, -0.0000155500000000 ] - [ -0.0038692400000000, -0.0005649300000000, -0.0001769900000000 ] - [ -0.0003299100000000, -0.0001500600000000, 0.0001103900000000 ] - [ 0.0008527800000000, -0.0007530400000000, 0.0014642700000000 ] - [ 0.0000908600000000, 0.0001326700000000, 0.0001156100000000 ] - [ 0.0005036400000000, 0.0007954000000000, 0.0000015600000000 ] - [ 0.0000444100000000, -0.0005743300000000, 0.0000643200000000 ] - [ -0.0004390500000000, 0.0003581400000000, -0.0001521400000000 ] - [ -0.0006937400000000, 0.0018731100000000, -0.0002072500000000 ] - [ -0.0003688600000000, 0.0007907600000000, 0.0002880500000000 ] - [ -0.0006299200000000, 0.0006177200000000, 0.0000414500000000 ] - [ 0.0023840900000000, -0.0018737000000000, 0.0025348300000000 ] - [ 0.0010003200000000, -0.0011054700000000, -0.0003817200000000 ] - [ 0.0005683100000000, 0.0004258000000000, 0.0000224000000000 ] - [ 0.0004950500000000, 0.0003056400000000, -0.0000176500000000 ] - [ 0.0004632000000000, 0.0001997700000000, -0.0000712900000000 ] - [ 0.0000782400000000, 0.0009763600000000, -0.0007181600000000 ] - [ 0.0007484600000000, -0.0009398800000000, 0.0001530500000000 ] - [ 0.0015208200000000, -0.0002368100000000, 0.0003445200000000 ] - [ -0.0014908200000000, -0.0002086000000000, 0.0011098500000000 ] - [ -0.0010077400000000, -0.0006127400000000, 0.0001900300000000 ] - [ -0.0014320500000000, -0.0005116000000000, -0.0004106100000000 ] - [ -0.1655699400000000, 0.2919717400000000, -0.0028382400000000 ] - [ 0.0020998700000000, -0.0109484700000000, -0.0042031300000000 ] - [ 0.0013023300000000, -0.0011003600000000, -0.0001180700000000 ] - [ -0.0001706600000000, -0.0013837600000000, 0.0000213400000000 ] - [ 0.0012502500000000, 0.0027520800000000, -0.0011110500000000 ] - [ 0.0000257300000000, 0.0000611000000000, 0.0000565800000000 ] - [ 0.0014547300000000, 0.0000014500000000, -0.0006408800000000 ] - [ 0.0000724200000000, 0.0008284100000000, -0.0003393400000000 ] - [ 0.0002669500000000, 0.0000967800000000, -0.0001164300000000 ] - [ 0.0008379800000000, -0.0001085900000000, 0.0000786900000000 ] - [ 0.0018312800000000, -0.0015179700000000, -0.0002551100000000 ] - [ -0.0013452700000000, -0.0005757700000000, 0.0001910800000000 ] - [ -0.0002312600000000, 0.0023183100000000, -0.0004564200000000 ] - [ 0.0050235400000000, -0.0033079600000000, 0.0015195800000000 ] - [ 0.0001019200000000, 0.0006855800000000, 0.0001919700000000 ] - [ 0.0006286400000000, 0.0003570200000000, 0.0004193600000000 ] - [ -0.0004368100000000, -0.0017323700000000, 0.0001196000000000 ] - [ -0.0030120300000000, 0.0016589200000000, 0.0011127700000000 ] - [ -0.0002228600000000, -0.0005559400000000, 0.0000172600000000 ] - [ 0.0000196600000000, 0.0003358400000000, -0.0002021200000000 ] - [ 0.0011153700000000, -0.0000210200000000, 0.0007447200000000 ] - [ 0.0006226100000000, 0.0007646600000000, -0.0005294600000000 ] - [ 0.0003450200000000, 0.0008376400000000, 0.0007728400000000 ] - [ 0.0000841000000000, -0.0010552700000000, 0.0003541400000000 ] - [ 0.0005304200000000, -0.0011211600000000, -0.0001105600000000 ] - [ 0.0001193700000000, -0.0009936200000000, 0.0001819700000000 ] - [ -0.0023026600000000, 0.0031347800000000, -0.0018937300000000 ] - [ 0.0006269100000000, -0.0001155300000000, -0.0000959200000000 ] - [ -0.0002419000000000, -0.0004625300000000, -0.0001473700000000 ] - [ -0.0004851700000000, 0.0001267200000000, 0.0018522000000000 ] - [ -0.0005099400000000, -0.0002069600000000, 0.0000854800000000 ] - [ -0.0005972800000000, -0.0004154400000000, 0.0001333700000000 ] - [ -0.0018208400000000, -0.0065437500000000, 0.0118365700000000 ] - [ -0.0002345400000000, -0.0006001100000000, 0.0000044600000000 ] - [ -0.0015178200000000, -0.0003462300000000, -0.0001524600000000 ] - [ 0.0003829100000000, 0.0018230100000000, -0.0002725900000000 ] - [ 0.0011275000000000, -0.0013999500000000, -0.0001734200000000 ] - [ -0.0004143800000000, -0.0004199400000000, 0.0000636200000000 ] - [ -0.0010702500000000, 0.0011776500000000, -0.0007314900000000 ] - [ 0.0000692200000000, -0.0029583400000000, -0.0016632800000000 ] - [ -0.0042623800000000, -0.0230213500000000, -0.0013521400000000 ] - [ 0.0013192000000000, -0.0011089100000000, 0.0000372100000000 ] - [ 0.0028789400000000, -0.0026544300000000, 0.0006222000000000 ] - [ -0.0079842600000000, 0.0003500300000000, -0.0024429400000000 ] - [ -0.0002905900000000, -0.0004105400000000, -0.0001684900000000 ] - [ -0.0003683000000000, -0.0026063600000000, 0.0007475300000000 ] - [ 0.0023497600000000, -0.0009004000000000, 0.0011685700000000 ] - [ 0.0002809900000000, 0.0034610900000000, 0.0004423800000000 ] - [ 0.0005362000000000, -0.0011124100000000, -0.0001371900000000 ] - [ 0.0007142700000000, 0.0002037400000000, 0.0001951200000000 ] - [ -0.0001940700000000, -0.0005186700000000, -0.0001809000000000 ] - [ -0.0011697900000000, 0.0033599400000000, 0.0023032900000000 ] - [ 0.0006029500000000, -0.0016727000000000, -0.0003479700000000 ] - [ 0.0003677500000000, -0.0035481700000000, 0.0000674000000000 ] - [ 0.0157825900000000, -0.0040116700000000, -0.0108639100000000 ] - [ 0.0005174100000000, -0.0015691900000000, 0.0004338600000000 ] - [ 0.0001142600000000, -0.0020306700000000, 0.0007617100000000 ] - [ 0.0122740500000000, -0.0043786100000000, 0.0126291200000000 ] - [ 0.0018596800000000, 0.0017037900000000, -0.0001124400000000 ] - [ 0.0011923400000000, -0.0020273700000000, 0.0003914300000000 ] - [ -0.0027041200000000, 0.0008292300000000, -0.0006643000000000 ] - [ 0.0014907600000000, -0.0000594800000000, -0.0019701100000000 ] - [ 0.0007454400000000, -0.0007588300000000, -0.0000653800000000 ] - [ -0.0011639200000000, -0.0004250800000000, -0.0017972800000000 ] - [ -0.0004493800000000, -0.0002668200000000, -0.0001798000000000 ] - [ 0.0000185400000000, -0.0017573100000000, -0.0002526100000000 ] - [ -0.0021687400000000, 0.0008720100000000, 0.0019451400000000 ] - [ -0.0089339900000000, -0.0354885700000000, -0.0021517000000000 ] - [ 0.0009162100000000, 0.0006885100000000, -0.0001970100000000 ] - [ 0.0006388500000000, 0.0019363500000000, 0.0000250700000000 ] - [ -0.0011629700000000, 0.0012845100000000, 0.0006530300000000 ] - [ 0.0015024500000000, -0.0013628000000000, -0.0003796300000000 ] - [ 0.0010019200000000, 0.0007637600000000, -0.0000358400000000 ] - [ -0.0006417300000000, 0.0014192500000000, -0.0005058300000000 ] - [ -0.0010285300000000, 0.0012724900000000, -0.0002197000000000 ] - [ 0.0048984900000000, -0.0029478600000000, -0.0060722200000000 ] - [ 0.0042701100000000, 0.0042616700000000, 0.0065512100000000 ] - [ -0.0011616600000000, 0.0019123000000000, 0.0004108700000000 ] - [ -0.0080753800000000, -0.0005963800000000, 0.0008160300000000 ] - [ -0.0005659800000000, 0.0004026400000000, 0.0001026000000000 ] - [ -0.0011623300000000, -0.0022836800000000, -0.0012971200000000 ] - [ -0.0010318400000000, -0.0000062300000000, -0.0004669000000000 ] - [ -0.0012669600000000, 0.0004002100000000, 0.0003747200000000 ] - [ -0.0009655700000000, 0.0002980000000000, -0.0000758600000000 ] - [ -0.0003675000000000, -0.0025544500000000, 0.0026180000000000 ] - [ -0.0036295300000000, 0.0076614400000000, -0.0007699600000000 ] - [ 0.0034132400000000, -0.0037244500000000, 0.0040359300000000 ] - [ 0.0015924300000000, 0.0015041300000000, 0.0000741400000000 ] - [ 0.0008578800000000, 0.0021188300000000, -0.0001872400000000 ] - [ 0.0047922700000000, -0.0052765800000000, -0.0088679900000000 ] - [ 0.0004257100000000, 0.0005796300000000, 0.0000077600000000 ] - [ 0.0017971200000000, 0.0015773900000000, 0.0003042800000000 ] - [ -0.0011268300000000, 0.0020646300000000, 0.0000475200000000 ] - [ -0.0015746000000000, -0.0022453700000000, 0.0011007600000000 ] - [ 0.1459393300000000, -0.2059186600000000, 0.0030188700000000 ] - [ -0.0014644300000000, 0.0043421600000000, -0.0011696000000000 ] - [ -0.0027541800000000, 0.0037342700000000, 0.0000008100000000 ] - [ -0.0022428000000000, -0.0009649200000000, 0.0001379200000000 ] - [ 0.0012495300000000, -0.0036107400000000, 0.0002676800000000 ] - [ -0.0035241500000000, 0.0035636900000000, -0.0036860900000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000121900000000, 0.0004445600000000, 0.0005468000000000 ] - [ -0.0001380900000000, 0.0000982800000000, -0.0000028500000000 ] - [ -0.0003323500000000, -0.0002645100000000, 0.0028944300000000 ] - [ 0.0001373800000000, 0.0000661500000000, -0.0000100900000000 ] - [ 0.0000628500000000, -0.0000739800000000, 0.0001732500000000 ] - [ -0.0019308400000000, 0.0001247900000000, 0.0004553000000000 ] - [ 0.0000232500000000, 0.0000587300000000, -0.0001095100000000 ] - [ -0.0004638600000000, -0.0011385700000000, -0.0013142000000000 ] - [ -0.0000798600000000, -0.0001573500000000, -0.0000787400000000 ] - [ 0.0000674600000000, -0.0000301600000000, -0.0000408700000000 ] - [ 0.0001380300000000, 0.0001514400000000, -0.0002660600000000 ] - [ 0.0000413500000000, -0.0001180700000000, -0.0004580700000000 ] - [ -0.0002762200000000, 0.0007114800000000, 0.0002922200000000 ] - [ -0.0001510900000000, 0.0000884500000000, -0.0001220700000000 ] - [ 0.0000024500000000, -0.0002821400000000, -0.0001378500000000 ] - [ 0.0003969800000000, -0.0010291500000000, -0.0023317200000000 ] - [ 0.0004167100000000, 0.0003667600000000, 0.0004605900000000 ] - [ 0.0000793300000000, -0.0000438800000000, 0.0000170400000000 ] - [ 0.0000571600000000, 0.0000393900000000, 0.0001145500000000 ] - [ -0.0005068600000000, -0.0001180500000000, 0.0002303700000000 ] - [ -0.0008794700000000, 0.0008520600000000, 0.0003250300000000 ] - [ 0.0000099700000000, -0.0002509100000000, -0.0000456300000000 ] - [ 0.0007123000000000, -0.0000005900000000, 0.0007709100000000 ] - [ -0.0006503500000000, -0.0008629600000000, 0.0008573900000000 ] - [ -0.0000184300000000, -0.0001466600000000, 0.0002260800000000 ] - [ 0.0000378900000000, 0.0003073400000000, 0.0002022800000000 ] - [ -0.0018077400000000, 0.0012239300000000, -0.0354501100000000 ] - [ -0.0010126500000000, 0.0038834100000000, 0.0010612100000000 ] - [ -0.0003331500000000, 0.0001469100000000, -0.0001656500000000 ] - [ 0.0001253400000000, 0.0001756900000000, -0.0001670000000000 ] - [ -0.0032387600000000, -0.0015252800000000, 0.0013125400000000 ] - [ -0.0003172700000000, -0.0000575500000000, -0.0000895700000000 ] - [ -0.0000918700000000, 0.0003272800000000, -0.0000679500000000 ] - [ -0.0007883800000000, -0.0005909800000000, 0.0021057100000000 ] - [ -0.0002008900000000, 0.0001876100000000, 0.0002411600000000 ] - [ 0.0001426400000000, 0.0000716900000000, 0.0001943600000000 ] - [ -0.0004688000000000, 0.0004750300000000, -0.0002635800000000 ] - [ 0.0000573500000000, -0.0003148300000000, -0.0002453100000000 ] - [ 0.0005897700000000, 0.0001476600000000, -0.0002223500000000 ] - [ 0.0002017200000000, -0.0000284700000000, -0.0010053300000000 ] - [ 0.0003295600000000, 0.0001751000000000, -0.0007356300000000 ] - [ -0.0001257000000000, -0.0001585600000000, -0.0003022100000000 ] - [ -0.0000454100000000, -0.0003866200000000, 0.0001521300000000 ] - [ -0.0012291700000000, -0.0004007500000000, 0.0008047100000000 ] - [ -0.0000400300000000, -0.0000771600000000, 0.0000712400000000 ] - [ 0.0004183900000000, 0.0000836400000000, 0.0002545800000000 ] - [ 0.0008775100000000, -0.0003930000000000, -0.0002291900000000 ] - [ -0.0003324600000000, 0.0000394900000000, -0.0000407900000000 ] - [ 0.0005713700000000, -0.0001104500000000, 0.0017696500000000 ] - [ -0.0001354000000000, 0.0000281200000000, 0.0004291800000000 ] - [ 0.0001108100000000, -0.0001456600000000, -0.0000855300000000 ] - [ 0.0001322600000000, -0.0000549400000000, 0.0006344900000000 ] - [ -0.0025898000000000, -0.0000052400000000, 0.0064450700000000 ] - [ 0.0000173400000000, 0.0001454700000000, -0.0001089200000000 ] - [ 0.0000232000000000, -0.0003403100000000, 0.0001042800000000 ] - [ -0.0000427200000000, -0.0010506700000000, 0.0017716900000000 ] - [ -0.0000050400000000, 0.0002261800000000, 0.0001296800000000 ] - [ -0.0001776000000000, -0.0003145000000000, -0.0001142900000000 ] - [ -0.0000228400000000, -0.0036455500000000, 0.0029615500000000 ] - [ 0.0001442600000000, 0.0000239600000000, -0.0000700100000000 ] - [ -0.0001885700000000, -0.0000224000000000, 0.0002224500000000 ] - [ 0.0001719300000000, 0.0000363000000000, 0.0002469000000000 ] - [ 0.0000492100000000, -0.0001995400000000, 0.0000492300000000 ] - [ -0.0000766300000000, 0.0000146600000000, 0.0001046700000000 ] - [ 0.0006900100000000, 0.0004616200000000, 0.0005926300000000 ] - [ 0.0000066500000000, 0.0004781100000000, 0.0006473800000000 ] - [ -0.0003694800000000, 0.0002145000000000, -0.0064173700000000 ] - [ 0.0000604500000000, 0.0000061900000000, -0.0000389300000000 ] - [ -0.0004237300000000, 0.0005080100000000, -0.0010452700000000 ] - [ 0.0012759600000000, 0.0004857400000000, -0.0019623000000000 ] - [ 0.0002118100000000, 0.0000412500000000, -0.0002976200000000 ] - [ -0.0000975800000000, 0.0005512400000000, -0.0007417700000000 ] - [ 0.0002154300000000, -0.0002032100000000, 0.0001372700000000 ] - [ 0.0024833300000000, 0.0019291000000000, 0.0006182400000000 ] - [ 0.0001047400000000, -0.0002063100000000, -0.0000586700000000 ] - [ -0.0000175100000000, 0.0000973800000000, 0.0002390900000000 ] - [ -0.0002280400000000, -0.0000447900000000, -0.0000807000000000 ] - [ 0.0001780200000000, -0.0018595000000000, 0.0063717100000000 ] - [ 0.0001060700000000, -0.0001390000000000, -0.0001225100000000 ] - [ -0.0002371600000000, -0.0001765600000000, -0.0001036700000000 ] - [ -0.0112944200000000, 0.0082339600000000, -0.0003792400000000 ] - [ 0.0000131400000000, -0.0000236800000000, -0.0002473500000000 ] - [ -0.0001062700000000, 0.0001063700000000, -0.0001371700000000 ] - [ 0.0105269000000000, -0.0089785600000000, 0.0005568900000000 ] - [ -0.0009226400000000, -0.0002550400000000, -0.0002314500000000 ] - [ 0.0003788100000000, -0.0002073800000000, -0.0003046900000000 ] - [ -0.0001615300000000, 0.0003397000000000, -0.0002317900000000 ] - [ -0.0004952200000000, 0.0000514900000000, 0.0015550400000000 ] - [ 0.0001038300000000, 0.0000135500000000, 0.0001696700000000 ] - [ 0.0002784200000000, 0.0005291800000000, 0.0009499600000000 ] - [ -0.0004634000000000, 0.0000811200000000, 0.0002090900000000 ] - [ 0.0008141100000000, 0.0008699800000000, 0.0005794200000000 ] - [ 0.0006856400000000, -0.0002889000000000, 0.0007294900000000 ] - [ 0.0004729200000000, 0.0006953900000000, 0.0019712400000000 ] - [ -0.0001017100000000, -0.0001752800000000, 0.0002561200000000 ] - [ 0.0000806900000000, -0.0001211100000000, 0.0002091000000000 ] - [ -0.0004567000000000, 0.0006711800000000, -0.0005714600000000 ] - [ 0.0003643000000000, -0.0002230100000000, -0.0011418800000000 ] - [ 0.0002752000000000, 0.0001762000000000, -0.0000915900000000 ] - [ -0.0001527300000000, 0.0001824200000000, 0.0000421400000000 ] - [ -0.0000820100000000, 0.0000186900000000, -0.0000068200000000 ] - [ -0.0001897000000000, 0.0019304300000000, -0.0047038200000000 ] - [ -0.0000547700000000, -0.0005593800000000, 0.0003845200000000 ] - [ -0.0001418900000000, -0.0001434700000000, 0.0001070100000000 ] - [ 0.0040558700000000, -0.0000266600000000, 0.0001841900000000 ] - [ -0.0002030900000000, 0.0001176300000000, -0.0001715300000000 ] - [ -0.0027000100000000, -0.0005350400000000, -0.0025823800000000 ] - [ 0.0001105600000000, 0.0001672000000000, -0.0001521000000000 ] - [ 0.0003025100000000, -0.0000881000000000, -0.0003008200000000 ] - [ 0.0002800500000000, 0.0000760800000000, -0.0002506800000000 ] - [ 0.0050371900000000, -0.0002807700000000, -0.0038688700000000 ] - [ 0.0004464300000000, -0.0021802200000000, 0.0006238200000000 ] - [ -0.0011051200000000, -0.0011622600000000, 0.0000358100000000 ] - [ 0.0000739100000000, 0.0004301200000000, 0.0001640200000000 ] - [ 0.0004706800000000, 0.0002212400000000, -0.0002173300000000 ] - [ 0.0020999000000000, 0.0039261700000000, -0.0042008000000000 ] - [ 0.0000889700000000, -0.0000216300000000, -0.0001039400000000 ] - [ -0.0001216200000000, 0.0001589000000000, -0.0017467100000000 ] - [ 0.0001319400000000, -0.0000512100000000, -0.0001131100000000 ] - [ -0.0006637100000000, 0.0004533900000000, -0.0017943400000000 ] - [ 0.0021977700000000, -0.0010478800000000, 0.0308279600000000 ] - [ -0.0002040100000000, 0.0001756600000000, 0.0000017300000000 ] - [ 0.0000447600000000, -0.0006591300000000, 0.0001967300000000 ] - [ 0.0004581500000000, 0.0000646200000000, 0.0002640300000000 ] - [ -0.0008617400000000, -0.0018469100000000, 0.0005408000000000 ] - [ -0.0007289800000000, 0.0006590300000000, 0.0009019500000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000496600000000, -0.0003943200000000, -0.0002402900000000 ] - [ -0.0001296500000000, 0.0000761200000000, -0.0002200600000000 ] - [ 0.0003316600000000, -0.0000407900000000, -0.0031251700000000 ] - [ 0.0001552300000000, -0.0000069700000000, -0.0002184800000000 ] - [ -0.0000206600000000, 0.0000676400000000, 0.0001194600000000 ] - [ 0.0020069800000000, -0.0000335900000000, -0.0001543800000000 ] - [ -0.0000278100000000, 0.0000663600000000, 0.0001108200000000 ] - [ 0.0002477800000000, 0.0012814800000000, 0.0013521700000000 ] - [ -0.0000237900000000, -0.0001138100000000, 0.0001160800000000 ] - [ 0.0001722600000000, 0.0000467400000000, 0.0000754600000000 ] - [ -0.0001716100000000, -0.0001705600000000, 0.0002635500000000 ] - [ 0.0000765200000000, 0.0001447800000000, 0.0004598200000000 ] - [ 0.0002552200000000, -0.0005800100000000, -0.0003435200000000 ] - [ -0.0000856700000000, 0.0000837800000000, -0.0000585600000000 ] - [ -0.0001103000000000, -0.0000223300000000, -0.0000402200000000 ] - [ -0.0001361200000000, 0.0010716600000000, 0.0021571300000000 ] - [ -0.0004521200000000, -0.0004074700000000, -0.0005199900000000 ] - [ 0.0000493300000000, 0.0000823900000000, -0.0000613900000000 ] - [ 0.0000139700000000, -0.0000279700000000, -0.0000308500000000 ] - [ 0.0004619000000000, 0.0001690900000000, -0.0001559300000000 ] - [ 0.0008483400000000, -0.0009127100000000, -0.0002535600000000 ] - [ -0.0001235800000000, -0.0001942300000000, -0.0002991800000000 ] - [ -0.0002671700000000, 0.0001231100000000, -0.0011201300000000 ] - [ 0.0003171400000000, 0.0011755100000000, -0.0012067500000000 ] - [ 0.0000865500000000, -0.0001487800000000, 0.0003339400000000 ] - [ -0.0003267600000000, -0.0002162000000000, 0.0003613700000000 ] - [ 0.0027344600000000, -0.0021115800000000, 0.0353152500000000 ] - [ 0.0012425800000000, -0.0036812900000000, -0.0004966000000000 ] - [ -0.0000629900000000, -0.0001260000000000, -0.0000608200000000 ] - [ 0.0000655100000000, 0.0002220600000000, -0.0000620900000000 ] - [ 0.0035741800000000, 0.0010732800000000, -0.0013901900000000 ] - [ -0.0002529200000000, -0.0000165800000000, 0.0000151000000000 ] - [ 0.0002947500000000, 0.0002019500000000, 0.0000009900000000 ] - [ 0.0006105200000000, 0.0001835400000000, -0.0021221200000000 ] - [ -0.0000447700000000, 0.0001064000000000, -0.0002638100000000 ] - [ 0.0002191700000000, -0.0000074300000000, -0.0002222600000000 ] - [ 0.0003449100000000, -0.0002535900000000, -0.0000009300000000 ] - [ 0.0002057000000000, 0.0003035000000000, -0.0000218900000000 ] - [ -0.0007131100000000, -0.0004363000000000, -0.0000462300000000 ] - [ -0.0003024300000000, 0.0001511100000000, 0.0010849000000000 ] - [ -0.0001708800000000, -0.0001557800000000, 0.0008145900000000 ] - [ 0.0000914700000000, 0.0000508300000000, 0.0003923200000000 ] - [ 0.0000943200000000, 0.0004038400000000, -0.0000862600000000 ] - [ 0.0012047600000000, 0.0004333800000000, -0.0007493400000000 ] - [ 0.0000316100000000, 0.0000299600000000, -0.0000128300000000 ] - [ -0.0005125200000000, -0.0005327200000000, -0.0005896600000000 ] - [ -0.0004420800000000, 0.0005357500000000, -0.0001077600000000 ] - [ -0.0000121500000000, 0.0002619600000000, -0.0002981600000000 ] - [ -0.0005020400000000, -0.0001785800000000, -0.0011869300000000 ] - [ -0.0001435000000000, 0.0000602000000000, 0.0001626600000000 ] - [ 0.0001370300000000, -0.0002124700000000, -0.0001716600000000 ] - [ 0.0000890800000000, 0.0002405100000000, -0.0000534400000000 ] - [ 0.0021809800000000, 0.0000148500000000, -0.0066031200000000 ] - [ 0.0001639900000000, 0.0002473900000000, -0.0001472500000000 ] - [ 0.0003098100000000, -0.0001248100000000, -0.0001609700000000 ] - [ -0.0005400500000000, 0.0010289400000000, -0.0018360200000000 ] - [ 0.0002445900000000, 0.0002932200000000, -0.0001801300000000 ] - [ 0.0000075600000000, -0.0000886700000000, 0.0001727300000000 ] - [ -0.0002270000000000, 0.0039718500000000, -0.0029013200000000 ] - [ 0.0002232800000000, 0.0000407600000000, 0.0001157900000000 ] - [ 0.0000735100000000, 0.0002543900000000, -0.0004503900000000 ] - [ 0.0000974700000000, -0.0000625100000000, -0.0004767500000000 ] - [ -0.0001881000000000, -0.0000872100000000, -0.0002798600000000 ] - [ -0.0000322500000000, 0.0000913400000000, -0.0000350500000000 ] - [ -0.0005331200000000, -0.0004190500000000, -0.0005284500000000 ] - [ -0.0000182600000000, -0.0005873600000000, -0.0005670900000000 ] - [ 0.0004128600000000, -0.0001798800000000, 0.0065595100000000 ] - [ -0.0000972400000000, 0.0000259300000000, 0.0001655000000000 ] - [ 0.0004122100000000, -0.0005529100000000, 0.0011753100000000 ] - [ -0.0013883900000000, -0.0009351100000000, 0.0015993300000000 ] - [ 0.0002212800000000, 0.0000975600000000, -0.0000545100000000 ] - [ -0.0002422600000000, -0.0002531200000000, 0.0003874600000000 ] - [ -0.0001654400000000, -0.0000802500000000, 0.0004005600000000 ] - [ -0.0027648500000000, -0.0018389600000000, -0.0000662100000000 ] - [ 0.0001403500000000, -0.0001449800000000, -0.0001446500000000 ] - [ 0.0002434900000000, 0.0000762500000000, 0.0002969100000000 ] - [ -0.0001633100000000, 0.0000562100000000, -0.0001187800000000 ] - [ -0.0000012900000000, 0.0022802600000000, -0.0066766800000000 ] - [ 0.0002342200000000, -0.0003116100000000, 0.0001179400000000 ] - [ -0.0003373800000000, 0.0001351700000000, 0.0000937900000000 ] - [ 0.0116302100000000, -0.0077942600000000, 0.0003709400000000 ] - [ -0.0001788500000000, -0.0003619600000000, 0.0002662500000000 ] - [ -0.0001311500000000, 0.0001855400000000, 0.0001508800000000 ] - [ -0.0100620700000000, 0.0089464700000000, -0.0005396800000000 ] - [ 0.0007985900000000, 0.0004895500000000, -0.0000329800000000 ] - [ -0.0001069100000000, 0.0001910900000000, 0.0000384300000000 ] - [ 0.0000330700000000, -0.0006367100000000, -0.0000341400000000 ] - [ 0.0003888900000000, 0.0000582400000000, -0.0014334200000000 ] - [ 0.0000502500000000, 0.0000235000000000, -0.0000522900000000 ] - [ -0.0002966900000000, -0.0006444300000000, -0.0008162300000000 ] - [ 0.0001394000000000, 0.0001416800000000, -0.0001213500000000 ] - [ -0.0008701800000000, -0.0012644800000000, -0.0004919100000000 ] - [ -0.0003251100000000, 0.0004400900000000, -0.0006381300000000 ] - [ -0.0008228100000000, -0.0009005800000000, -0.0019553600000000 ] - [ 0.0000582900000000, -0.0000531400000000, -0.0001996100000000 ] - [ 0.0001513700000000, 0.0002067400000000, -0.0001575600000000 ] - [ 0.0001423500000000, -0.0004975300000000, 0.0006336600000000 ] - [ -0.0003928300000000, -0.0001447200000000, 0.0012067700000000 ] - [ 0.0000378500000000, -0.0000063400000000, 0.0001539500000000 ] - [ -0.0001109800000000, -0.0000184400000000, 0.0000317700000000 ] - [ 0.0000741800000000, -0.0003270400000000, 0.0000767100000000 ] - [ 0.0004568000000000, -0.0017506000000000, 0.0047651000000000 ] - [ -0.0002864200000000, 0.0007328200000000, -0.0002877400000000 ] - [ 0.0001279600000000, -0.0002415500000000, 0.0000082900000000 ] - [ -0.0037243200000000, 0.0002076800000000, -0.0000665900000000 ] - [ -0.0000340700000000, 0.0000407200000000, 0.0001845400000000 ] - [ 0.0027031500000000, 0.0002571100000000, 0.0025915100000000 ] - [ 0.0001548300000000, -0.0000292000000000, 0.0001607400000000 ] - [ 0.0000792900000000, 0.0001145200000000, 0.0000768400000000 ] - [ -0.0004922400000000, 0.0002302300000000, 0.0000274300000000 ] - [ -0.0051785700000000, -0.0000518600000000, 0.0036501300000000 ] - [ -0.0008539300000000, 0.0018920900000000, -0.0004271000000000 ] - [ 0.0015307600000000, 0.0009706700000000, 0.0001902400000000 ] - [ -0.0001265800000000, 0.0000653600000000, 0.0000407400000000 ] - [ -0.0000805400000000, -0.0001980900000000, -0.0000068100000000 ] - [ -0.0023255500000000, -0.0036704900000000, 0.0039761700000000 ] - [ -0.0002559800000000, -0.0003245000000000, -0.0001284400000000 ] - [ -0.0002805400000000, -0.0004024100000000, 0.0019944300000000 ] - [ 0.0002616700000000, -0.0001551200000000, 0.0003736500000000 ] - [ 0.0006436800000000, 0.0000255600000000, 0.0020506000000000 ] - [ -0.0025453400000000, 0.0020634100000000, -0.0310388600000000 ] - [ -0.0000134100000000, 0.0001226800000000, -0.0001573600000000 ] - [ -0.0002166000000000, 0.0003047300000000, -0.0003635600000000 ] - [ -0.0008548400000000, -0.0003143100000000, -0.0000584800000000 ] - [ 0.0012494500000000, 0.0016526900000000, -0.0003248800000000 ] - [ 0.0007091900000000, -0.0001880400000000, -0.0006890900000000 ]- atom: 31 displacement: [ 0.0100000000000000, -0.0000000000071070, 0.0000000000000000 ] forces: - [ 0.0006054300000000, 0.0019494900000000, 0.0004420800000000 ] - [ -0.0012552700000000, -0.0001307100000000, -0.0005145000000000 ] - [ 0.0059936300000000, 0.0027491900000000, -0.0033935200000000 ] - [ 0.0000612600000000, 0.0003379300000000, -0.0002264800000000 ] - [ 0.0000023200000000, -0.0000528400000000, 0.0001628900000000 ] - [ -0.0008701700000000, 0.0001907500000000, 0.0001459400000000 ] - [ -0.0005561800000000, 0.0004993400000000, 0.0001116000000000 ] - [ -0.0011537900000000, -0.0031162000000000, 0.0003718500000000 ] - [ -0.0001119800000000, -0.0003908000000000, -0.0000010900000000 ] - [ -0.0000818900000000, -0.0008151100000000, 0.0000922000000000 ] - [ 0.0014341500000000, -0.0000210600000000, 0.0013611900000000 ] - [ 0.0003344600000000, -0.0001551700000000, -0.0002227800000000 ] - [ 0.0001152600000000, -0.0003035400000000, 0.0000035700000000 ] - [ -0.0001468000000000, 0.0002575800000000, -0.0001763000000000 ] - [ -0.0003901600000000, -0.0000566000000000, -0.0000710100000000 ] - [ 0.0001295700000000, 0.0002942000000000, -0.0002546000000000 ] - [ -0.0004662000000000, -0.0001056300000000, -0.0000007900000000 ] - [ 0.0001577600000000, -0.0002382200000000, -0.0002176100000000 ] - [ 0.0002536800000000, -0.0006648400000000, -0.0000942200000000 ] - [ 0.0101539200000000, 0.0036936900000000, -0.0054918500000000 ] - [ -0.0075331300000000, 0.0004643500000000, -0.0008163000000000 ] - [ 0.0000070000000000, -0.0002819900000000, -0.0001688800000000 ] - [ 0.0013319900000000, -0.0005201800000000, -0.0005437400000000 ] - [ -0.0004589800000000, -0.0030204400000000, 0.0021851300000000 ] - [ 0.0001797100000000, 0.0007232800000000, 0.0004442500000000 ] - [ 0.0005765100000000, 0.0006485100000000, 0.0001195500000000 ] - [ 0.0037170400000000, 0.0006768000000000, -0.0035409800000000 ] - [ -0.0003597900000000, 0.0018126900000000, 0.0000319200000000 ] - [ 0.0007053400000000, 0.0003376800000000, 0.0000376300000000 ] - [ 0.0000119200000000, -0.0000303600000000, -0.0000802700000000 ] - [ -0.0872680000000000, -0.0819458700000000, -0.0567746400000000 ] - [ 0.0016712000000000, -0.0007238300000000, 0.0004625700000000 ] - [ -0.0000487000000000, -0.0002686100000000, -0.0002828700000000 ] - [ -0.0063475000000000, -0.0020884700000000, -0.0003002900000000 ] - [ 0.0015682200000000, -0.0007199600000000, -0.0013272200000000 ] - [ -0.0000548900000000, -0.0001411300000000, -0.0001565100000000 ] - [ -0.0004547000000000, 0.0003400400000000, -0.0001943500000000 ] - [ -0.0004140300000000, 0.0036159800000000, -0.0000456200000000 ] - [ 0.0011589900000000, -0.0004651400000000, -0.0001927900000000 ] - [ -0.0009031100000000, -0.0006891800000000, 0.0006672200000000 ] - [ 0.0013654200000000, 0.0028637400000000, 0.0067038800000000 ] - [ 0.0004979900000000, -0.0003422500000000, 0.0003171100000000 ] - [ 0.0004171000000000, 0.0008366300000000, 0.0001712500000000 ] - [ 0.0004691500000000, 0.0001843600000000, 0.0000951000000000 ] - [ -0.0001845100000000, 0.0002371600000000, 0.0000538700000000 ] - [ -0.0006127200000000, -0.0003764400000000, 0.0008014400000000 ] - [ -0.0002110000000000, 0.0002464500000000, 0.0003344000000000 ] - [ 0.0000543800000000, -0.0001482400000000, -0.0001447700000000 ] - [ 0.0023434000000000, -0.0006782000000000, 0.0010064900000000 ] - [ 0.0001856800000000, 0.0002723700000000, 0.0001984900000000 ] - [ 0.0002560100000000, -0.0006027000000000, -0.0001925900000000 ] - [ -0.0000903100000000, -0.0009268600000000, 0.0006592900000000 ] - [ 0.0113390800000000, 0.0090592800000000, 0.0126753600000000 ] - [ 0.0027243200000000, 0.0017988600000000, -0.0000191500000000 ] - [ 0.0004775900000000, 0.0001250400000000, 0.0001099400000000 ] - [ -0.0004093300000000, 0.0013086300000000, 0.0005585200000000 ] - [ 0.0001073300000000, 0.0007470000000000, -0.0002759200000000 ] - [ 0.0000743200000000, -0.0000097200000000, 0.0000908400000000 ] - [ -0.0002514000000000, 0.0008020700000000, -0.0000029000000000 ] - [ 0.0003944200000000, 0.0004638100000000, 0.0001851900000000 ] - [ -0.0017886900000000, -0.0002284500000000, -0.0000485700000000 ] - [ 0.0011158300000000, -0.0000133000000000, -0.0001367200000000 ] - [ -0.0002192800000000, 0.0000868700000000, -0.0000809300000000 ] - [ -0.0002152100000000, 0.0007998900000000, -0.0006522500000000 ] - [ 0.0015853100000000, 0.0004683400000000, -0.0003532100000000 ] - [ 0.0000698600000000, 0.0007119800000000, 0.0001607800000000 ] - [ 0.0002446900000000, -0.0018205000000000, -0.0016390000000000 ] - [ 0.0000498100000000, -0.0000877200000000, 0.0000756800000000 ] - [ 0.0007516500000000, -0.0004735300000000, 0.0001912400000000 ] - [ 0.0009659300000000, 0.0000816900000000, -0.0000121800000000 ] - [ -0.0000069700000000, 0.0010805400000000, 0.0003758500000000 ] - [ 0.0000358300000000, 0.0009827800000000, -0.0004804300000000 ] - [ -0.0002446300000000, -0.0002558100000000, 0.0004022200000000 ] - [ -0.0021525400000000, -0.0010945100000000, 0.0014639600000000 ] - [ 0.0003490400000000, 0.0004207800000000, -0.0002444400000000 ] - [ 0.0008714700000000, -0.0004540200000000, 0.0003647000000000 ] - [ -0.0001048600000000, -0.0000880200000000, -0.0000668400000000 ] - [ -0.0003782600000000, 0.0004240100000000, 0.0006747400000000 ] - [ 0.0004822300000000, -0.0001751100000000, 0.0001465600000000 ] - [ -0.0003918600000000, -0.0004598000000000, 0.0000653700000000 ] - [ 0.0014693000000000, -0.0002144600000000, -0.0010244800000000 ] - [ 0.0003557500000000, -0.0000890200000000, 0.0001686200000000 ] - [ -0.0003323600000000, -0.0002230400000000, -0.0000485100000000 ] - [ 0.0014819700000000, -0.0006169100000000, -0.0009149700000000 ] - [ 0.0009398300000000, 0.0001602400000000, -0.0000918100000000 ] - [ -0.0000327800000000, -0.0001724100000000, 0.0000184200000000 ] - [ -0.0018764000000000, 0.0004688600000000, 0.0004128200000000 ] - [ 0.0008440600000000, -0.0003042800000000, 0.0002540300000000 ] - [ 0.0001740300000000, 0.0000100600000000, 0.0000831300000000 ] - [ -0.0006859300000000, -0.0005901800000000, 0.0006848700000000 ] - [ -0.0016783100000000, 0.0012175400000000, -0.0000762000000000 ] - [ 0.0210205600000000, 0.0249465800000000, 0.0014192900000000 ] - [ 0.0015716500000000, 0.0010595700000000, 0.0005997200000000 ] - [ -0.0006994900000000, -0.0018900600000000, 0.0004479200000000 ] - [ 0.0000441500000000, -0.0007021100000000, 0.0001249900000000 ] - [ -0.0005676700000000, -0.0008206800000000, -0.0001830000000000 ] - [ 0.0001113500000000, -0.0009249200000000, -0.0000557600000000 ] - [ -0.0009703000000000, -0.0004860400000000, -0.0002500100000000 ] - [ 0.0006855300000000, 0.0000875200000000, 0.0004187400000000 ] - [ -0.0001267900000000, 0.0006678500000000, 0.0002576400000000 ] - [ -0.0014860400000000, -0.0001849000000000, 0.0001282200000000 ] - [ -0.0049597900000000, 0.0046815500000000, -0.0008650500000000 ] - [ 0.0014922800000000, 0.0010885500000000, 0.0005561600000000 ] - [ -0.0001188400000000, -0.0002169300000000, 0.0000506400000000 ] - [ -0.0011803100000000, 0.0001116500000000, -0.0000224200000000 ] - [ -0.0007621400000000, -0.0001878000000000, 0.0007076700000000 ] - [ 0.0011546100000000, 0.0005442600000000, -0.0011848300000000 ] - [ 0.0001526200000000, 0.0003637200000000, 0.0000375900000000 ] - [ 0.0000835500000000, 0.0010530900000000, 0.0003710800000000 ] - [ -0.0080621100000000, 0.0007770100000000, -0.0004241200000000 ] - [ 0.0546517000000000, 0.0334760200000000, 0.0491941100000000 ] - [ 0.0004346200000000, -0.0020370800000000, 0.0002368200000000 ] - [ -0.0018799000000000, -0.0002929300000000, 0.0005304200000000 ] - [ -0.0003204500000000, -0.0022393900000000, 0.0001715100000000 ] - [ -0.0003646500000000, -0.0011782700000000, -0.0000276300000000 ] - [ -0.0007853600000000, -0.0009565200000000, -0.0010561500000000 ] - [ -0.0001693300000000, -0.0005417900000000, -0.0003088700000000 ] - [ 0.0024948700000000, 0.0021085100000000, -0.0025050700000000 ] - [ 0.0000824300000000, -0.0003827400000000, 0.0000618800000000 ] - [ -0.0028403100000000, 0.0007027900000000, 0.0005093100000000 ] - [ -0.0028865200000000, 0.0027067500000000, 0.0025555600000000 ] - [ -0.0000558900000000, 0.0007177000000000, -0.0002177900000000 ] - [ -0.0013532200000000, 0.0000549000000000, -0.0003245200000000 ] - [ -0.0016194300000000, 0.0005225900000000, -0.0002383200000000 ] - [ 0.0049290900000000, -0.0001617600000000, -0.0045535700000000 ] - [ 0.0003800300000000, 0.0004742200000000, -0.0007107900000000 ]- atom: 31 displacement: [ -0.0100000000000000, 0.0000000000071070, 0.0000000000000000 ] forces: - [ -0.0006338600000000, -0.0018930100000000, -0.0001462100000000 ] - [ 0.0009867700000000, 0.0003078300000000, 0.0002939100000000 ] - [ -0.0061654800000000, -0.0030889300000000, 0.0031531500000000 ] - [ 0.0002276200000000, -0.0002800400000000, -0.0000020300000000 ] - [ 0.0000382800000000, 0.0000498800000000, 0.0001285500000000 ] - [ 0.0009390700000000, -0.0000999600000000, 0.0001553200000000 ] - [ 0.0005515900000000, -0.0003769300000000, -0.0001111600000000 ] - [ 0.0009438400000000, 0.0032575200000000, -0.0003309000000000 ] - [ 0.0000084200000000, 0.0001188300000000, 0.0000373300000000 ] - [ 0.0003207900000000, 0.0008358100000000, -0.0000571300000000 ] - [ -0.0014804100000000, -0.0000070400000000, -0.0013680200000000 ] - [ -0.0002288900000000, 0.0001925400000000, 0.0002397300000000 ] - [ -0.0001349400000000, 0.0004364900000000, -0.0000554800000000 ] - [ -0.0000913800000000, -0.0000844200000000, -0.0000029600000000 ] - [ 0.0002822400000000, -0.0002449600000000, -0.0001070900000000 ] - [ 0.0001442300000000, -0.0002642100000000, 0.0000741200000000 ] - [ 0.0004335500000000, 0.0000643900000000, -0.0000548000000000 ] - [ -0.0000280100000000, 0.0002779600000000, 0.0001729100000000 ] - [ -0.0001782000000000, 0.0006826000000000, 0.0001786600000000 ] - [ -0.0102646100000000, -0.0036941000000000, 0.0056337600000000 ] - [ 0.0074887500000000, -0.0005828600000000, 0.0008409700000000 ] - [ -0.0001160000000000, -0.0001665600000000, -0.0001731000000000 ] - [ -0.0008857800000000, 0.0006422700000000, 0.0001962400000000 ] - [ 0.0001247400000000, 0.0033240600000000, -0.0025225900000000 ] - [ -0.0001125100000000, -0.0010173900000000, 0.0001150300000000 ] - [ -0.0008617500000000, -0.0005532700000000, 0.0004474800000000 ] - [ -0.0034462100000000, -0.0010264100000000, 0.0032722000000000 ] - [ 0.0005836000000000, -0.0016183900000000, 0.0005261400000000 ] - [ -0.0011007300000000, -0.0003195500000000, -0.0002646400000000 ] - [ 0.0001805400000000, 0.0004255400000000, -0.0001482900000000 ] - [ 0.0884624000000000, 0.0824699200000000, 0.0562475600000000 ] - [ -0.0022482900000000, 0.0006493500000000, -0.0005374400000000 ] - [ 0.0002605000000000, 0.0007994600000000, 0.0002162500000000 ] - [ 0.0061577800000000, 0.0016676900000000, 0.0002491000000000 ] - [ -0.0018202300000000, 0.0010184600000000, 0.0013122300000000 ] - [ 0.0004250700000000, 0.0002039300000000, 0.0001299300000000 ] - [ 0.0003259000000000, -0.0001262000000000, -0.0000679300000000 ] - [ 0.0006662300000000, -0.0036188400000000, -0.0002196300000000 ] - [ -0.0012812400000000, 0.0001780100000000, -0.0000746100000000 ] - [ 0.0008147100000000, 0.0008018400000000, -0.0005781200000000 ] - [ -0.0012307100000000, -0.0028628400000000, -0.0066635200000000 ] - [ -0.0005314600000000, 0.0002357800000000, -0.0002297900000000 ] - [ -0.0003694400000000, -0.0008231200000000, -0.0001067500000000 ] - [ -0.0005056200000000, -0.0001536300000000, -0.0000387100000000 ] - [ 0.0001753300000000, -0.0002846900000000, 0.0000037400000000 ] - [ 0.0005232800000000, -0.0000678500000000, -0.0011379800000000 ] - [ 0.0006515400000000, -0.0001131200000000, -0.0006804500000000 ] - [ -0.0003958900000000, 0.0004531100000000, -0.0001939900000000 ] - [ -0.0022722200000000, 0.0003904700000000, -0.0004198100000000 ] - [ -0.0004671800000000, -0.0001912900000000, 0.0003947400000000 ] - [ -0.0000041600000000, 0.0002413800000000, -0.0000642000000000 ] - [ 0.0003114100000000, 0.0011106400000000, -0.0000755600000000 ] - [ -0.0114480700000000, -0.0088615900000000, -0.0126696300000000 ] - [ -0.0025528900000000, -0.0014156800000000, -0.0002391300000000 ] - [ -0.0001459500000000, -0.0005907200000000, -0.0001657500000000 ] - [ -0.0001778600000000, -0.0013393500000000, -0.0006195200000000 ] - [ 0.0001311500000000, -0.0002297100000000, 0.0002276300000000 ] - [ -0.0002448600000000, -0.0003935400000000, -0.0000350000000000 ] - [ -0.0000011200000000, -0.0005004300000000, 0.0000555800000000 ] - [ -0.0000282900000000, -0.0004003200000000, -0.0001403900000000 ] - [ 0.0016705900000000, 0.0004642300000000, -0.0001790700000000 ] - [ -0.0008468400000000, -0.0000085300000000, -0.0000927600000000 ] - [ 0.0000836500000000, -0.0003846200000000, -0.0001517000000000 ] - [ 0.0001051800000000, -0.0006938900000000, 0.0007237800000000 ] - [ -0.0014313200000000, -0.0004231700000000, 0.0004211600000000 ] - [ -0.0000841600000000, -0.0008256500000000, -0.0000809500000000 ] - [ -0.0001988900000000, 0.0018284200000000, 0.0017667100000000 ] - [ -0.0000819600000000, 0.0001166300000000, 0.0000519300000000 ] - [ -0.0007616600000000, 0.0004243200000000, -0.0000621600000000 ] - [ -0.0010580000000000, -0.0005219000000000, -0.0003371300000000 ] - [ 0.0004389100000000, -0.0009409400000000, -0.0007281800000000 ] - [ -0.0003789800000000, -0.0006876500000000, 0.0001289400000000 ] - [ 0.0003048300000000, -0.0000304800000000, 0.0001350700000000 ] - [ 0.0018886400000000, 0.0012017000000000, -0.0009298900000000 ] - [ -0.0001009900000000, -0.0007756900000000, 0.0000420400000000 ] - [ -0.0006447500000000, 0.0006299800000000, 0.0001695800000000 ] - [ -0.0002847400000000, 0.0000979700000000, -0.0001334700000000 ] - [ 0.0005449100000000, -0.0000331700000000, -0.0008771800000000 ] - [ -0.0001418800000000, -0.0002792400000000, -0.0001530500000000 ] - [ -0.0001799000000000, 0.0004076900000000, -0.0000748200000000 ] - [ -0.0012469300000000, 0.0007318900000000, 0.0010231700000000 ] - [ -0.0005218200000000, -0.0003007500000000, -0.0001507900000000 ] - [ 0.0000955300000000, 0.0005091100000000, 0.0000630100000000 ] - [ -0.0011302700000000, 0.0006745900000000, 0.0009177400000000 ] - [ -0.0010615700000000, 0.0000761500000000, -0.0001738200000000 ] - [ 0.0003056500000000, 0.0001462400000000, -0.0002847200000000 ] - [ 0.0017424500000000, -0.0007622600000000, -0.0006810100000000 ] - [ -0.0009488300000000, 0.0004141100000000, -0.0001342300000000 ] - [ -0.0000182300000000, 0.0000236700000000, 0.0000319800000000 ] - [ 0.0006641200000000, 0.0004788400000000, -0.0005543500000000 ] - [ 0.0013566800000000, -0.0010002300000000, 0.0001640000000000 ] - [ -0.0215096500000000, -0.0266421800000000, -0.0015153500000000 ] - [ -0.0012311500000000, -0.0008882000000000, -0.0005315700000000 ] - [ 0.0005239800000000, 0.0020385700000000, -0.0003873000000000 ] - [ -0.0000882400000000, 0.0004722000000000, -0.0000666700000000 ] - [ 0.0007999000000000, 0.0009096300000000, 0.0002344300000000 ] - [ -0.0004229700000000, 0.0011062200000000, 0.0001195300000000 ] - [ 0.0009461200000000, 0.0001143500000000, 0.0003090100000000 ] - [ -0.0003728600000000, 0.0000823600000000, -0.0003562700000000 ] - [ -0.0001396100000000, -0.0005004200000000, -0.0001857300000000 ] - [ 0.0014809200000000, -0.0001185300000000, -0.0000591500000000 ] - [ 0.0052199900000000, -0.0044994200000000, 0.0009285700000000 ] - [ -0.0018216300000000, -0.0009077700000000, -0.0004374700000000 ] - [ 0.0001013800000000, -0.0001614600000000, 0.0000665500000000 ] - [ 0.0015031700000000, 0.0000685200000000, 0.0001397300000000 ] - [ 0.0005211900000000, 0.0003482000000000, -0.0006991800000000 ] - [ -0.0011542300000000, -0.0008160400000000, 0.0012258300000000 ] - [ 0.0001061800000000, -0.0002266300000000, -0.0000291900000000 ] - [ 0.0002838500000000, -0.0010325000000000, -0.0005970600000000 ] - [ 0.0078672600000000, -0.0004662000000000, 0.0002044300000000 ] - [ -0.0552779700000000, -0.0335386600000000, -0.0489616600000000 ] - [ -0.0008279700000000, 0.0017540600000000, -0.0000427800000000 ] - [ 0.0023063900000000, 0.0001024100000000, -0.0003221300000000 ] - [ 0.0002672100000000, 0.0027224300000000, 0.0000339800000000 ] - [ 0.0007561800000000, 0.0012079100000000, -0.0001981200000000 ] - [ 0.0005775800000000, 0.0012566400000000, 0.0008293900000000 ] - [ 0.0000018800000000, 0.0001955400000000, 0.0000782300000000 ] - [ -0.0028868600000000, -0.0023546900000000, 0.0027469700000000 ] - [ 0.0003061600000000, 0.0001891200000000, 0.0001970400000000 ] - [ 0.0028198600000000, -0.0002288600000000, -0.0002519700000000 ] - [ 0.0032787900000000, -0.0026673200000000, -0.0027018300000000 ] - [ -0.0001680600000000, -0.0004081400000000, 0.0000574300000000 ] - [ 0.0011794100000000, -0.0004010700000000, 0.0001595500000000 ] - [ 0.0012200900000000, -0.0007758100000000, 0.0004483800000000 ] - [ -0.0045404300000000, -0.0000456500000000, 0.0047796800000000 ] - [ -0.0004103400000000, 0.0000092700000000, 0.0009249800000000 ]- atom: 31 displacement: [ -0.0049999999943570, 0.0086602540411024, 0.0000000000000000 ] forces: - [ 0.0019631100000000, -0.0024797400000000, -0.0002316100000000 ] - [ -0.0006080600000000, 0.0003497800000000, -0.0000867800000000 ] - [ -0.0007776000000000, 0.0055958800000000, -0.0026364800000000 ] - [ 0.0008364300000000, -0.0002526100000000, 0.0001524100000000 ] - [ 0.0002874400000000, -0.0005616000000000, 0.0002436700000000 ] - [ 0.0002693500000000, 0.0000762600000000, 0.0001639800000000 ] - [ 0.0001912600000000, 0.0003915100000000, -0.0001312800000000 ] - [ -0.0010036000000000, 0.0003490800000000, -0.0000275000000000 ] - [ 0.0003802400000000, -0.0005879500000000, 0.0000735900000000 ] - [ -0.0003549800000000, -0.0003323700000000, 0.0002174900000000 ] - [ -0.0002236600000000, 0.0006586700000000, 0.0007501300000000 ] - [ 0.0012856800000000, -0.0014756600000000, -0.0026371000000000 ] - [ -0.0003765100000000, -0.0001444400000000, 0.0000771700000000 ] - [ 0.0002180800000000, -0.0002682400000000, -0.0000407800000000 ] - [ -0.0001577400000000, -0.0003162300000000, -0.0001357800000000 ] - [ 0.0001421600000000, 0.0004566300000000, -0.0002148100000000 ] - [ -0.0000840600000000, -0.0000385000000000, -0.0000891000000000 ] - [ -0.0001029600000000, -0.0001464500000000, -0.0003506900000000 ] - [ -0.0008982300000000, -0.0003891400000000, 0.0001111300000000 ] - [ 0.0037652600000000, -0.0006735100000000, -0.0010754300000000 ] - [ 0.0034190600000000, 0.0138917900000000, 0.0143065800000000 ] - [ -0.0005970000000000, 0.0003452200000000, -0.0003019700000000 ] - [ 0.0001579700000000, 0.0001003300000000, -0.0002281400000000 ] - [ -0.0021256200000000, 0.0013737000000000, -0.0028389700000000 ] - [ 0.0017193400000000, 0.0006081700000000, 0.0004615800000000 ] - [ -0.0001622100000000, 0.0004603800000000, 0.0001536500000000 ] - [ 0.0000219200000000, -0.0025944900000000, 0.0004685100000000 ] - [ 0.0011640400000000, 0.0004369100000000, -0.0001633200000000 ] - [ 0.0002510600000000, 0.0001871300000000, -0.0000706600000000 ] - [ -0.0004080100000000, 0.0008455500000000, -0.0001466100000000 ] - [ -0.0270418200000000, -0.0899480900000000, -0.0530946400000000 ] - [ -0.0000091200000000, -0.0008209000000000, 0.0003128800000000 ] - [ -0.0021373700000000, 0.0012389400000000, 0.0004108300000000 ] - [ 0.0013575300000000, -0.0062192200000000, -0.0008163800000000 ] - [ 0.0003757900000000, -0.0004556700000000, -0.0002942300000000 ] - [ -0.0011860100000000, 0.0005399900000000, 0.0005003100000000 ] - [ 0.0011439200000000, 0.0018301800000000, -0.0005150000000000 ] - [ 0.0018000000000000, 0.0094775500000000, 0.0004285100000000 ] - [ -0.0002582000000000, -0.0002033300000000, -0.0001578500000000 ] - [ -0.0004066100000000, 0.0025150400000000, -0.0037618600000000 ] - [ 0.0017475800000000, 0.0001818700000000, 0.0023039900000000 ] - [ -0.0004481900000000, -0.0003310200000000, -0.0001660400000000 ] - [ 0.0006049700000000, 0.0006558500000000, 0.0001500800000000 ] - [ 0.0004945100000000, -0.0001723200000000, 0.0000841800000000 ] - [ -0.0002471900000000, 0.0005893800000000, -0.0000729400000000 ] - [ 0.0002059000000000, -0.0005368600000000, 0.0004353200000000 ] - [ 0.0003547600000000, -0.0004177000000000, -0.0004282500000000 ] - [ -0.0005658600000000, -0.0002087900000000, -0.0000061700000000 ] - [ -0.0001253200000000, -0.0004660000000000, 0.0002114300000000 ] - [ 0.0000460200000000, 0.0007846500000000, 0.0002016700000000 ] - [ -0.0009068200000000, 0.0009193300000000, -0.0000211700000000 ] - [ -0.0003258600000000, 0.0012847100000000, 0.0000331700000000 ] - [ 0.0038878600000000, -0.0071994100000000, -0.0013520600000000 ] - [ 0.0008998300000000, 0.0004845200000000, -0.0000773400000000 ] - [ 0.0000534200000000, 0.0000422400000000, 0.0000302800000000 ] - [ 0.0004619800000000, -0.0001444000000000, 0.0005068300000000 ] - [ 0.0006826200000000, 0.0004633300000000, -0.0003092600000000 ] - [ -0.0002181700000000, 0.0000779700000000, 0.0002238900000000 ] - [ 0.0002740400000000, -0.0000701400000000, 0.0001315800000000 ] - [ 0.0006552900000000, 0.0002724100000000, 0.0002345700000000 ] - [ -0.0000565100000000, 0.0004373800000000, -0.0008844900000000 ] - [ 0.0000284300000000, -0.0002365300000000, -0.0001147600000000 ] - [ -0.0003032100000000, 0.0014823800000000, 0.0002392400000000 ] - [ 0.0000898500000000, 0.0016015700000000, -0.0010590400000000 ] - [ 0.0002818700000000, -0.0000286900000000, -0.0000334200000000 ] - [ 0.0006330900000000, 0.0005620100000000, 0.0002504100000000 ] - [ -0.0023460200000000, -0.0000763000000000, 0.0019945200000000 ] - [ -0.0008691500000000, 0.0005148500000000, 0.0001463700000000 ] - [ -0.0001028600000000, 0.0001764000000000, 0.0000700100000000 ] - [ 0.0000945000000000, -0.0003672600000000, -0.0001971600000000 ] - [ 0.0002277900000000, 0.0019561200000000, 0.0009178900000000 ] - [ 0.0006450200000000, 0.0009998800000000, -0.0006524500000000 ] - [ -0.0010468200000000, 0.0003258100000000, -0.0002469200000000 ] - [ -0.0004020600000000, -0.0015843000000000, 0.0010942900000000 ] - [ 0.0004021700000000, -0.0000216000000000, -0.0001235700000000 ] - [ 0.0002859400000000, -0.0003938000000000, 0.0002186000000000 ] - [ -0.0009143300000000, 0.0004017300000000, -0.0000087100000000 ] - [ 0.0004385900000000, -0.0002358400000000, 0.0001434600000000 ] - [ 0.0003249700000000, 0.0002052700000000, 0.0001658200000000 ] - [ -0.0007445200000000, 0.0007209700000000, -0.0001188600000000 ] - [ -0.0005260400000000, -0.0002385800000000, 0.0004483500000000 ] - [ 0.0000277800000000, 0.0002289700000000, -0.0000493100000000 ] - [ -0.0008718900000000, 0.0010449800000000, 0.0001861300000000 ] - [ -0.0002250700000000, -0.0005413100000000, -0.0002249700000000 ] - [ -0.0003433600000000, -0.0001000200000000, -0.0001347700000000 ] - [ 0.0001704500000000, 0.0014041700000000, -0.0005891100000000 ] - [ 0.0000757000000000, -0.0003962800000000, 0.0003862300000000 ] - [ -0.0001124600000000, 0.0000682200000000, 0.0001044100000000 ] - [ -0.0003864200000000, 0.0005002500000000, 0.0001506500000000 ] - [ -0.0000937100000000, -0.0002676100000000, -0.0004669700000000 ] - [ 0.0004229500000000, 0.0006951700000000, 0.0002717000000000 ] - [ 0.0110804800000000, 0.0185351200000000, 0.0002061800000000 ] - [ 0.0020250000000000, -0.0062461400000000, 0.0038922400000000 ] - [ -0.0008470600000000, 0.0010518100000000, 0.0003869600000000 ] - [ 0.0005194600000000, -0.0010496500000000, -0.0000321000000000 ] - [ -0.0009465400000000, -0.0005843600000000, -0.0004120400000000 ] - [ -0.0009472600000000, -0.0006719200000000, -0.0003859600000000 ] - [ -0.0002093500000000, -0.0001700100000000, 0.0001241900000000 ] - [ -0.0002946900000000, -0.0003778100000000, 0.0007800700000000 ] - [ 0.0006406300000000, -0.0011451700000000, 0.0000294700000000 ] - [ -0.0003259200000000, -0.0005831800000000, 0.0001579600000000 ] - [ 0.0014765500000000, 0.0020969800000000, 0.0008861400000000 ] - [ -0.0000888200000000, -0.0006416100000000, -0.0006742400000000 ] - [ 0.0004264600000000, -0.0011134000000000, -0.0001569600000000 ] - [ 0.0005961700000000, 0.0001637100000000, 0.0000143900000000 ] - [ -0.0005360900000000, 0.0002614300000000, 0.0001039800000000 ] - [ -0.0000794000000000, 0.0013060000000000, -0.0007962500000000 ] - [ 0.0012255000000000, -0.0000700000000000, -0.0002242600000000 ] - [ 0.0033328500000000, -0.0009830100000000, -0.0011738200000000 ] - [ -0.0020581100000000, 0.0014052400000000, -0.0007396200000000 ] - [ 0.0009384800000000, 0.0592401500000000, 0.0430542800000000 ] - [ -0.0024560500000000, -0.0018200300000000, 0.0005268800000000 ] - [ 0.0000385400000000, -0.0002333700000000, 0.0001719600000000 ] - [ -0.0032009400000000, -0.0044624800000000, 0.0001413300000000 ] - [ -0.0007694300000000, -0.0007041400000000, -0.0000217600000000 ] - [ -0.0010248200000000, 0.0008163200000000, -0.0006817800000000 ] - [ 0.0006976000000000, -0.0008175000000000, -0.0003291000000000 ] - [ -0.0002856200000000, -0.0016006800000000, 0.0029250100000000 ] - [ 0.0010125700000000, -0.0018305000000000, 0.0002118200000000 ] - [ 0.0002777100000000, 0.0004057400000000, 0.0001812200000000 ] - [ 0.0028283500000000, 0.0028111700000000, -0.0011221000000000 ] - [ 0.0011654400000000, -0.0011729300000000, -0.0002229600000000 ] - [ -0.0004366400000000, -0.0007606700000000, -0.0001498300000000 ] - [ 0.0002482900000000, 0.0006341800000000, 0.0001558500000000 ] - [ 0.0006912000000000, 0.0012012200000000, -0.0021521100000000 ] - [ 0.0011192100000000, -0.0017587100000000, 0.0025422100000000 ]- atom: 31 displacement: [ 0.0049999999943570, -0.0086602540411024, 0.0000000000000000 ] forces: - [ -0.0020093800000000, 0.0025550700000000, 0.0005314300000000 ] - [ 0.0003390400000000, -0.0001746800000000, -0.0001373900000000 ] - [ 0.0006994900000000, -0.0059906800000000, 0.0024142700000000 ] - [ -0.0005433200000000, 0.0003125100000000, -0.0003794000000000 ] - [ -0.0002468400000000, 0.0005553500000000, 0.0000482000000000 ] - [ -0.0001990400000000, 0.0000133400000000, 0.0001362100000000 ] - [ -0.0001947000000000, -0.0002646400000000, 0.0001312400000000 ] - [ 0.0007919000000000, -0.0001779800000000, 0.0000645500000000 ] - [ -0.0004827000000000, 0.0003182300000000, -0.0000373100000000 ] - [ 0.0005959900000000, 0.0003473600000000, -0.0001845000000000 ] - [ 0.0001881900000000, -0.0006908400000000, -0.0007545000000000 ] - [ -0.0011692100000000, 0.0015031800000000, 0.0026320000000000 ] - [ 0.0003544200000000, 0.0002780500000000, -0.0001280100000000 ] - [ -0.0004553400000000, 0.0004427200000000, -0.0001387300000000 ] - [ 0.0000483300000000, 0.0000112600000000, -0.0000425600000000 ] - [ 0.0001312300000000, -0.0004308300000000, 0.0000370900000000 ] - [ 0.0000526300000000, -0.0000004300000000, 0.0000328400000000 ] - [ 0.0002334100000000, 0.0001850900000000, 0.0003075500000000 ] - [ 0.0009667900000000, 0.0003970900000000, -0.0000274600000000 ] - [ -0.0037828200000000, 0.0007323300000000, 0.0011320500000000 ] - [ -0.0033950200000000, -0.0136511600000000, -0.0139650600000000 ] - [ 0.0004860700000000, -0.0007892100000000, -0.0000411100000000 ] - [ 0.0002871100000000, 0.0000231600000000, -0.0001190600000000 ] - [ 0.0018169200000000, -0.0010660300000000, 0.0025166200000000 ] - [ -0.0016618300000000, -0.0009038300000000, 0.0001000500000000 ] - [ -0.0001290100000000, -0.0003720100000000, 0.0004166600000000 ] - [ 0.0002025500000000, 0.0022334400000000, -0.0006871800000000 ] - [ -0.0009273900000000, -0.0002508400000000, 0.0007213500000000 ] - [ -0.0006468700000000, -0.0001651300000000, -0.0001557500000000 ] - [ 0.0005991600000000, -0.0004510300000000, -0.0000830200000000 ] - [ 0.0274706300000000, 0.0899034200000000, 0.0527813000000000 ] - [ -0.0005584400000000, 0.0007432000000000, -0.0003844700000000 ] - [ 0.0023328000000000, -0.0007073400000000, -0.0004777900000000 ] - [ -0.0015327700000000, 0.0057938500000000, 0.0007552000000000 ] - [ -0.0006180500000000, 0.0007485600000000, 0.0002708100000000 ] - [ 0.0015464700000000, -0.0004759400000000, -0.0005242400000000 ] - [ -0.0012605400000000, -0.0016031900000000, 0.0002481100000000 ] - [ -0.0015424500000000, -0.0095637900000000, -0.0007013600000000 ] - [ 0.0001334300000000, -0.0000856500000000, -0.0001086500000000 ] - [ 0.0003130400000000, -0.0023814000000000, 0.0038142700000000 ] - [ -0.0016075300000000, -0.0001614500000000, -0.0022350300000000 ] - [ 0.0004135100000000, 0.0002207500000000, 0.0002550000000000 ] - [ -0.0005549900000000, -0.0006407600000000, -0.0000847400000000 ] - [ -0.0005307600000000, 0.0002002400000000, -0.0000293900000000 ] - [ 0.0002372200000000, -0.0006381900000000, 0.0001316600000000 ] - [ -0.0002984000000000, 0.0000935100000000, -0.0007752100000000 ] - [ 0.0000887700000000, 0.0005450500000000, 0.0000798600000000 ] - [ 0.0002205900000000, 0.0005086000000000, -0.0003332000000000 ] - [ 0.0001840300000000, 0.0001831800000000, 0.0003715900000000 ] - [ -0.0003235800000000, -0.0006936100000000, 0.0003901100000000 ] - [ 0.0011535600000000, -0.0012784900000000, -0.0002351600000000 ] - [ 0.0005461600000000, -0.0010997500000000, 0.0005510600000000 ] - [ -0.0043052500000000, 0.0071690900000000, 0.0010664900000000 ] - [ -0.0007129600000000, -0.0000881700000000, -0.0001785100000000 ] - [ 0.0002746000000000, -0.0005122700000000, -0.0000878500000000 ] - [ -0.0010398300000000, 0.0001011300000000, -0.0005699000000000 ] - [ -0.0004465400000000, 0.0000564600000000, 0.0002591400000000 ] - [ 0.0000451700000000, -0.0004845200000000, -0.0001683000000000 ] - [ -0.0005231400000000, 0.0003681100000000, -0.0000792400000000 ] - [ -0.0002886200000000, -0.0002080700000000, -0.0001916500000000 ] - [ -0.0000616600000000, -0.0002019000000000, 0.0006610000000000 ] - [ 0.0002376000000000, 0.0002132300000000, -0.0001153900000000 ] - [ 0.0001671700000000, -0.0017673600000000, -0.0004681500000000 ] - [ -0.0002010800000000, -0.0015036300000000, 0.0011355500000000 ] - [ -0.0001370300000000, 0.0000683300000000, 0.0001050100000000 ] - [ -0.0006424900000000, -0.0006734700000000, -0.0001692800000000 ] - [ 0.0024128600000000, 0.0000899200000000, -0.0018774000000000 ] - [ 0.0008350000000000, -0.0004833800000000, -0.0000198700000000 ] - [ 0.0000912300000000, -0.0002219200000000, 0.0000605700000000 ] - [ -0.0001882800000000, -0.0000755800000000, -0.0001523300000000 ] - [ 0.0002023400000000, -0.0018263200000000, -0.0012770900000000 ] - [ -0.0009841700000000, -0.0007042200000000, 0.0002975300000000 ] - [ 0.0010987500000000, -0.0006111100000000, 0.0007829200000000 ] - [ 0.0001343600000000, 0.0016937800000000, -0.0005607600000000 ] - [ -0.0001558600000000, -0.0003290200000000, -0.0000803600000000 ] - [ -0.0000580000000000, 0.0005665600000000, 0.0003163400000000 ] - [ 0.0005204600000000, -0.0003916700000000, -0.0001915100000000 ] - [ -0.0002679800000000, 0.0006205200000000, -0.0003537700000000 ] - [ 0.0000167600000000, -0.0006547400000000, -0.0001707900000000 ] - [ 0.0001724900000000, -0.0007713200000000, 0.0001083300000000 ] - [ 0.0007454400000000, 0.0007621500000000, -0.0004484300000000 ] - [ -0.0001930000000000, -0.0006139000000000, 0.0000699900000000 ] - [ 0.0006375700000000, -0.0007599700000000, -0.0001721300000000 ] - [ 0.0005747500000000, 0.0006063100000000, 0.0002371300000000 ] - [ 0.0002192400000000, 0.0003350900000000, -0.0001307400000000 ] - [ 0.0001036400000000, -0.0014207100000000, 0.0003194500000000 ] - [ -0.0002128300000000, 0.0001055800000000, -0.0006562100000000 ] - [ 0.0000048300000000, 0.0000432900000000, 0.0000123000000000 ] - [ 0.0005415100000000, -0.0004626600000000, -0.0000347000000000 ] - [ 0.0000737300000000, 0.0001602000000000, 0.0006003700000000 ] - [ -0.0007444900000000, -0.0004682800000000, -0.0001829500000000 ] - [ -0.0116015200000000, -0.0190675200000000, -0.0001863700000000 ] - [ -0.0016612700000000, 0.0063684500000000, -0.0037792100000000 ] - [ 0.0006688900000000, -0.0008880100000000, -0.0003270700000000 ] - [ -0.0005623000000000, 0.0008251600000000, 0.0000896200000000 ] - [ 0.0011811200000000, 0.0006696300000000, 0.0004657600000000 ] - [ 0.0006254800000000, 0.0008522500000000, 0.0004458200000000 ] - [ 0.0001904400000000, -0.0001961900000000, -0.0000612100000000 ] - [ 0.0006115000000000, 0.0005467900000000, -0.0007206000000000 ] - [ -0.0009065100000000, 0.0013114400000000, 0.0000413400000000 ] - [ 0.0003145800000000, 0.0002722400000000, -0.0000880300000000 ] - [ -0.0011840800000000, -0.0019750800000000, -0.0008241800000000 ] - [ -0.0002401600000000, 0.0008214100000000, 0.0007957200000000 ] - [ -0.0004439800000000, 0.0007292100000000, 0.0002736400000000 ] - [ -0.0002703500000000, 0.0000169500000000, 0.0001047500000000 ] - [ 0.0002956900000000, -0.0001031100000000, -0.0000880700000000 ] - [ 0.0000691000000000, -0.0015683400000000, 0.0008386300000000 ] - [ -0.0009594400000000, 0.0002094200000000, 0.0002309600000000 ] - [ -0.0029434000000000, 0.0010096700000000, 0.0009443700000000 ] - [ 0.0018183800000000, -0.0010896800000000, 0.0005121900000000 ] - [ -0.0007612900000000, -0.0599214200000000, -0.0431435200000000 ] - [ 0.0020400600000000, 0.0015340900000000, -0.0003300400000000 ] - [ 0.0003980800000000, 0.0000500800000000, 0.0000298200000000 ] - [ 0.0031645600000000, 0.0049641700000000, 0.0000606600000000 ] - [ 0.0011620200000000, 0.0007285400000000, -0.0002005600000000 ] - [ 0.0008143300000000, -0.0005011400000000, 0.0004626200000000 ] - [ -0.0008603600000000, 0.0004749100000000, 0.0001003400000000 ] - [ -0.0001093500000000, 0.0013536000000000, -0.0026933500000000 ] - [ -0.0006223600000000, 0.0016229100000000, 0.0000466500000000 ] - [ -0.0002890900000000, 0.0000659400000000, 0.0000769500000000 ] - [ -0.0024392200000000, -0.0028112500000000, 0.0009629400000000 ] - [ -0.0013877100000000, 0.0014818700000000, 0.0000669700000000 ] - [ 0.0002621100000000, 0.0004077500000000, -0.0000174200000000 ] - [ -0.0006455900000000, -0.0008816700000000, 0.0000513100000000 ] - [ -0.0002947600000000, -0.0014123500000000, 0.0023800100000000 ] - [ -0.0011423900000000, 0.0022340800000000, -0.0023170300000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0011286900000000, -0.0009488900000000, 0.0012858800000000 ] - [ -0.0014888600000000, 0.0000659000000000, 0.0000389100000000 ] - [ -0.0030558700000000, -0.0048491600000000, 0.0135585600000000 ] - [ 0.0001268000000000, 0.0002168600000000, 0.0000346900000000 ] - [ 0.0001401600000000, -0.0002061100000000, 0.0002862400000000 ] - [ 0.0000396400000000, 0.0000778400000000, 0.0002934200000000 ] - [ -0.0000139600000000, 0.0001452200000000, -0.0000716800000000 ] - [ -0.0013418900000000, -0.0019804300000000, 0.0005428100000000 ] - [ 0.0000882800000000, -0.0003749300000000, 0.0000753000000000 ] - [ -0.0001418700000000, -0.0001479200000000, 0.0001919000000000 ] - [ 0.0023916500000000, 0.0029579700000000, -0.0006705500000000 ] - [ 0.0011123500000000, -0.0014381500000000, -0.0018198600000000 ] - [ 0.0000698200000000, -0.0000699800000000, -0.0000525300000000 ] - [ -0.0000417400000000, 0.0000973400000000, -0.0003161500000000 ] - [ -0.0001850000000000, -0.0001726000000000, -0.0002034300000000 ] - [ -0.0003076900000000, 0.0004031900000000, -0.0008555900000000 ] - [ -0.0001797600000000, 0.0000421900000000, -0.0002264100000000 ] - [ -0.0000158400000000, -0.0003923600000000, -0.0002985400000000 ] - [ -0.0002501900000000, -0.0002604400000000, -0.0001607900000000 ] - [ -0.0016354300000000, -0.0004616800000000, -0.0014562900000000 ] - [ -0.0017649700000000, 0.0123002500000000, -0.0004596400000000 ] - [ -0.0002344900000000, -0.0000444400000000, -0.0002773000000000 ] - [ 0.0005200000000000, -0.0000856800000000, -0.0003971800000000 ] - [ 0.0002582300000000, -0.0018161400000000, -0.0000988900000000 ] - [ 0.0007820200000000, 0.0004530700000000, 0.0001802300000000 ] - [ 0.0000541200000000, 0.0003590100000000, -0.0000234200000000 ] - [ -0.0047975500000000, -0.0017928800000000, 0.0012421900000000 ] - [ 0.0003886700000000, 0.0004391900000000, -0.0005937400000000 ] - [ 0.0004113900000000, 0.0003004100000000, -0.0001465100000000 ] - [ -0.0000317100000000, 0.0003809200000000, -0.0001663100000000 ] - [ -0.0584881800000000, -0.0973715400000000, -0.2259767000000000 ] - [ 0.0001651600000000, -0.0000085700000000, -0.0006244000000000 ] - [ -0.0007494500000000, 0.0003508500000000, -0.0006232200000000 ] - [ 0.0020926100000000, 0.0036192100000000, 0.0248129700000000 ] - [ -0.0000584400000000, -0.0000790900000000, -0.0000835300000000 ] - [ -0.0007161900000000, 0.0003739500000000, 0.0001244600000000 ] - [ 0.0002516100000000, 0.0008876400000000, -0.0007578600000000 ] - [ 0.0005803500000000, 0.0045105900000000, -0.0010560300000000 ] - [ 0.0001752300000000, -0.0002739200000000, -0.0003375000000000 ] - [ 0.0006839300000000, -0.0039653900000000, 0.0023045600000000 ] - [ 0.0035971400000000, 0.0034053500000000, 0.0077838900000000 ] - [ 0.0002238000000000, -0.0002448000000000, 0.0000532200000000 ] - [ 0.0003680400000000, 0.0005864900000000, 0.0003200200000000 ] - [ 0.0008213100000000, 0.0001953900000000, 0.0002794800000000 ] - [ -0.0001106500000000, 0.0001244800000000, 0.0001864100000000 ] - [ 0.0000776400000000, -0.0007111000000000, 0.0029279800000000 ] - [ -0.0003685100000000, 0.0015191800000000, 0.0028157900000000 ] - [ -0.0002472000000000, -0.0000827600000000, 0.0001634000000000 ] - [ 0.0013340500000000, -0.0005331200000000, 0.0006501100000000 ] - [ -0.0000401000000000, 0.0003979700000000, 0.0002890800000000 ] - [ -0.0001796300000000, 0.0000411700000000, -0.0002489200000000 ] - [ 0.0001872800000000, -0.0004683300000000, 0.0004221300000000 ] - [ 0.0106230500000000, 0.0039218100000000, -0.0005023100000000 ] - [ 0.0001238400000000, 0.0002732900000000, -0.0002267000000000 ] - [ 0.0003166500000000, 0.0000494900000000, 0.0000848800000000 ] - [ 0.0001580300000000, 0.0009077100000000, 0.0008291000000000 ] - [ 0.0001607000000000, 0.0003663500000000, 0.0000462900000000 ] - [ -0.0000546900000000, -0.0001035900000000, 0.0002527100000000 ] - [ -0.0001925700000000, 0.0004073900000000, 0.0011977600000000 ] - [ 0.0005853800000000, 0.0004292300000000, 0.0004552000000000 ] - [ -0.0004640400000000, -0.0013465200000000, 0.0000694500000000 ] - [ 0.0005055600000000, -0.0000383600000000, -0.0000882200000000 ] - [ -0.0003249700000000, 0.0009164400000000, 0.0001861200000000 ] - [ -0.0000839800000000, 0.0009984700000000, -0.0010264100000000 ] - [ 0.0010638900000000, 0.0002512600000000, -0.0005371600000000 ] - [ 0.0002196400000000, 0.0002990000000000, -0.0001166100000000 ] - [ -0.0027035200000000, 0.0007729000000000, 0.0011656200000000 ] - [ -0.0002778600000000, 0.0001368700000000, 0.0000237800000000 ] - [ 0.0000599500000000, 0.0000361000000000, 0.0000077200000000 ] - [ -0.0002872600000000, -0.0004332600000000, -0.0004943800000000 ] - [ 0.0001753600000000, 0.0010713200000000, 0.0002667600000000 ] - [ 0.0002119700000000, 0.0007359700000000, -0.0005534100000000 ] - [ 0.0001506500000000, -0.0002971300000000, 0.0011915200000000 ] - [ -0.0010727400000000, -0.0008702700000000, 0.0082311400000000 ] - [ 0.0003369000000000, 0.0000811700000000, 0.0000296600000000 ] - [ 0.0006576400000000, -0.0003270600000000, 0.0005677500000000 ] - [ -0.0003075700000000, 0.0000520700000000, 0.0000545200000000 ] - [ 0.0017911900000000, 0.0014010700000000, 0.0017045500000000 ] - [ 0.0003092600000000, -0.0000765900000000, 0.0001103100000000 ] - [ -0.0005693700000000, 0.0004269800000000, 0.0000687400000000 ] - [ -0.0010175100000000, 0.0002888800000000, 0.0008627400000000 ] - [ 0.0000646200000000, 0.0000324600000000, -0.0002477300000000 ] - [ -0.0004532600000000, 0.0004395000000000, -0.0002758200000000 ] - [ -0.0002241800000000, -0.0002075300000000, -0.0020749900000000 ] - [ 0.0001494900000000, -0.0000253500000000, -0.0000321800000000 ] - [ -0.0000153800000000, -0.0004870200000000, 0.0007017100000000 ] - [ -0.0009584600000000, 0.0007891000000000, 0.0009675600000000 ] - [ 0.0002357500000000, -0.0000988700000000, 0.0005318300000000 ] - [ -0.0000902800000000, 0.0001497400000000, 0.0004083800000000 ] - [ 0.0001436700000000, -0.0007700600000000, 0.0013140100000000 ] - [ -0.0004980200000000, 0.0004947600000000, 0.0003739800000000 ] - [ -0.0018792100000000, -0.0034748300000000, 0.0045209900000000 ] - [ 0.0014083500000000, -0.0000303600000000, 0.0053425100000000 ] - [ 0.0003769000000000, 0.0018839300000000, 0.0002741600000000 ] - [ 0.0001436300000000, -0.0006428100000000, 0.0000126300000000 ] - [ -0.0005905500000000, -0.0007184100000000, -0.0001065600000000 ] - [ -0.0003792700000000, -0.0009282200000000, -0.0001916500000000 ] - [ -0.0005907500000000, -0.0003561700000000, 0.0000167000000000 ] - [ 0.0004433400000000, 0.0006086400000000, 0.0004283100000000 ] - [ 0.0000885700000000, 0.0000675400000000, 0.0004825200000000 ] - [ -0.0002354800000000, -0.0002206400000000, 0.0002349000000000 ] - [ -0.0031371900000000, 0.0032564200000000, 0.0012511300000000 ] - [ 0.0006989300000000, -0.0005650300000000, -0.0016950300000000 ] - [ -0.0000436600000000, -0.0002474300000000, -0.0001376600000000 ] - [ 0.0004510200000000, 0.0000288000000000, -0.0002143400000000 ] - [ -0.0006299000000000, 0.0001529500000000, -0.0005325200000000 ] - [ -0.0014506700000000, -0.0024297700000000, -0.0102631400000000 ] - [ 0.0004135300000000, 0.0000738600000000, -0.0005811800000000 ] - [ 0.0013832100000000, -0.0001761000000000, 0.0002872600000000 ] - [ -0.0000713700000000, -0.0002413800000000, 0.0007566600000000 ] - [ 0.0525122600000000, 0.0836317400000000, 0.1759878900000000 ] - [ -0.0009518700000000, -0.0010926800000000, 0.0007027400000000 ] - [ -0.0004760900000000, -0.0001369400000000, 0.0012207800000000 ] - [ -0.0012407800000000, -0.0024718400000000, 0.0002942000000000 ] - [ -0.0004085100000000, -0.0006851900000000, -0.0006422200000000 ] - [ -0.0012501000000000, -0.0015494800000000, -0.0020642600000000 ] - [ 0.0000238700000000, -0.0004291800000000, -0.0004078500000000 ] - [ -0.0006101300000000, 0.0022197900000000, -0.0011575400000000 ] - [ 0.0007207800000000, -0.0009897100000000, -0.0000320500000000 ] - [ -0.0012857200000000, 0.0006137000000000, 0.0000625300000000 ] - [ 0.0054767000000000, -0.0003423800000000, 0.0005121100000000 ] - [ 0.0003045500000000, -0.0003506000000000, 0.0000895500000000 ] - [ -0.0006448500000000, -0.0005432000000000, 0.0000442700000000 ] - [ -0.0006797500000000, 0.0005113800000000, -0.0003177200000000 ] - [ 0.0021532900000000, -0.0014807100000000, -0.0080837200000000 ] - [ -0.0001153900000000, 0.0009353000000000, -0.0044829400000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0011474000000000, 0.0009899900000000, -0.0009976700000000 ] - [ 0.0012211400000000, 0.0001089200000000, -0.0002682000000000 ] - [ 0.0033128800000000, 0.0050713900000000, -0.0148850900000000 ] - [ 0.0001668100000000, -0.0001572500000000, -0.0002653600000000 ] - [ -0.0000987500000000, 0.0002002600000000, 0.0000048200000000 ] - [ 0.0000281300000000, 0.0000123500000000, 0.0000066100000000 ] - [ 0.0000097200000000, -0.0000171800000000, 0.0000735200000000 ] - [ 0.0011291800000000, 0.0021295500000000, -0.0005029500000000 ] - [ -0.0001907000000000, 0.0001016900000000, -0.0000388200000000 ] - [ 0.0003808100000000, 0.0001597700000000, -0.0001566800000000 ] - [ -0.0024018000000000, -0.0029498800000000, 0.0006852700000000 ] - [ -0.0009968700000000, 0.0014609700000000, 0.0018240400000000 ] - [ -0.0000914100000000, 0.0002006400000000, 0.0000004300000000 ] - [ -0.0001948100000000, 0.0000767000000000, 0.0001364800000000 ] - [ 0.0000753800000000, -0.0001315300000000, 0.0000257200000000 ] - [ 0.0005750000000000, -0.0003712200000000, 0.0006741800000000 ] - [ 0.0001457800000000, -0.0000818500000000, 0.0001691100000000 ] - [ 0.0001458300000000, 0.0004342500000000, 0.0002511700000000 ] - [ 0.0003211600000000, 0.0002667100000000, 0.0002438100000000 ] - [ 0.0016760800000000, 0.0005250000000000, 0.0014700100000000 ] - [ 0.0016852400000000, -0.0121600700000000, 0.0005058000000000 ] - [ 0.0001230800000000, -0.0004004200000000, -0.0000656100000000 ] - [ -0.0000708300000000, 0.0002080500000000, 0.0000495300000000 ] - [ -0.0005954200000000, 0.0021331700000000, -0.0002667800000000 ] - [ -0.0007096400000000, -0.0007423700000000, 0.0003820900000000 ] - [ -0.0003401300000000, -0.0002644000000000, 0.0005913700000000 ] - [ 0.0050396000000000, 0.0014339000000000, -0.0014604200000000 ] - [ -0.0001572100000000, -0.0002455100000000, 0.0011511300000000 ] - [ -0.0008030100000000, -0.0002801900000000, -0.0000781000000000 ] - [ 0.0002213000000000, 0.0000174500000000, -0.0000618200000000 ] - [ 0.0545916200000000, 0.0902314700000000, 0.2192551000000000 ] - [ -0.0007235000000000, -0.0000712700000000, 0.0005568900000000 ] - [ 0.0009488200000000, 0.0001759900000000, 0.0005558900000000 ] - [ -0.0022219600000000, -0.0039523700000000, -0.0241845000000000 ] - [ -0.0001752000000000, 0.0003645100000000, 0.0000464700000000 ] - [ 0.0010760300000000, -0.0003100700000000, -0.0001536700000000 ] - [ -0.0003705200000000, -0.0006616000000000, 0.0004919200000000 ] - [ -0.0003130500000000, -0.0044666000000000, 0.0008044300000000 ] - [ -0.0002959100000000, -0.0000147800000000, 0.0000701000000000 ] - [ -0.0007781700000000, 0.0040928100000000, -0.0022139000000000 ] - [ -0.0034838500000000, -0.0034047900000000, -0.0077175600000000 ] - [ -0.0002573100000000, 0.0001344700000000, 0.0000376300000000 ] - [ -0.0003166700000000, -0.0005679700000000, -0.0002555300000000 ] - [ -0.0008459100000000, -0.0001632100000000, -0.0002245400000000 ] - [ 0.0001003600000000, -0.0001716700000000, -0.0001275300000000 ] - [ -0.0001862800000000, 0.0002540900000000, -0.0032610500000000 ] - [ 0.0008044000000000, -0.0013615100000000, -0.0031424800000000 ] - [ -0.0000984200000000, 0.0003835000000000, -0.0005006400000000 ] - [ -0.0012630600000000, 0.0002440700000000, -0.0000676300000000 ] - [ -0.0002367600000000, -0.0003067300000000, 0.0003022100000000 ] - [ 0.0004286500000000, -0.0004025100000000, -0.0000091100000000 ] - [ 0.0000352400000000, 0.0006550600000000, 0.0001559000000000 ] - [ -0.0108137300000000, -0.0038585400000000, 0.0002490400000000 ] - [ 0.0000756200000000, 0.0001305700000000, -0.0000287900000000 ] - [ 0.0000157400000000, -0.0005146000000000, -0.0001411500000000 ] - [ -0.0007394700000000, -0.0009375200000000, -0.0008939100000000 ] - [ 0.0000758400000000, 0.0001544800000000, -0.0000976700000000 ] - [ -0.0001167500000000, -0.0002997700000000, -0.0001948200000000 ] - [ -0.0000559300000000, -0.0001017800000000, -0.0011408500000000 ] - [ -0.0002198300000000, -0.0003662700000000, -0.0004111800000000 ] - [ 0.0003473900000000, 0.0015689800000000, -0.0003054300000000 ] - [ -0.0002354900000000, 0.0000109700000000, -0.0001425700000000 ] - [ 0.0001884900000000, -0.0012009400000000, -0.0004176700000000 ] - [ -0.0000262300000000, -0.0008867500000000, 0.0010883300000000 ] - [ -0.0009077600000000, -0.0002079900000000, 0.0006025800000000 ] - [ -0.0002295400000000, -0.0004090600000000, 0.0001965200000000 ] - [ 0.0027608300000000, -0.0007620500000000, -0.0010212100000000 ] - [ 0.0002413900000000, -0.0001050900000000, 0.0001048500000000 ] - [ -0.0000711000000000, -0.0000786400000000, 0.0001230600000000 ] - [ 0.0001999000000000, -0.0000085000000000, 0.0001482300000000 ] - [ 0.0002558900000000, -0.0009198700000000, -0.0006098900000000 ] - [ -0.0005499900000000, -0.0004362700000000, 0.0002017300000000 ] - [ -0.0001051500000000, 0.0000138600000000, -0.0006528200000000 ] - [ 0.0007943500000000, 0.0009579600000000, -0.0076863800000000 ] - [ -0.0000891800000000, -0.0004358300000000, -0.0002354600000000 ] - [ -0.0004322000000000, 0.0005024400000000, -0.0000312800000000 ] - [ -0.0000866400000000, -0.0000421200000000, -0.0002549200000000 ] - [ -0.0015964200000000, -0.0009915900000000, -0.0019035200000000 ] - [ 0.0000318600000000, -0.0003739600000000, -0.0001157200000000 ] - [ -0.0000015500000000, -0.0004812500000000, -0.0000751400000000 ] - [ 0.0012390400000000, 0.0002300300000000, -0.0008600900000000 ] - [ -0.0002299100000000, -0.0004195000000000, 0.0002714900000000 ] - [ 0.0002137200000000, -0.0001508900000000, 0.0002918900000000 ] - [ 0.0005756000000000, 0.0002648200000000, 0.0020830700000000 ] - [ -0.0002702300000000, 0.0002601100000000, -0.0002329100000000 ] - [ 0.0002887400000000, 0.0004774900000000, -0.0009672900000000 ] - [ 0.0008220400000000, -0.0010932300000000, -0.0012329500000000 ] - [ -0.0003409700000000, 0.0002103200000000, -0.0004143400000000 ] - [ 0.0002468400000000, -0.0001114900000000, -0.0002939500000000 ] - [ -0.0001569000000000, 0.0006471500000000, -0.0011914300000000 ] - [ 0.0001691200000000, -0.0002644600000000, -0.0002885500000000 ] - [ 0.0019927500000000, 0.0033139000000000, -0.0044753400000000 ] - [ -0.0010427800000000, 0.0001950700000000, -0.0052426300000000 ] - [ -0.0005551000000000, -0.0017250800000000, -0.0002184200000000 ] - [ -0.0001841700000000, 0.0004100300000000, 0.0000438000000000 ] - [ 0.0008199500000000, 0.0008034900000000, 0.0001528900000000 ] - [ 0.0000623000000000, 0.0011029300000000, 0.0002541400000000 ] - [ 0.0005638900000000, -0.0000121700000000, 0.0000466600000000 ] - [ -0.0001266400000000, -0.0004361100000000, -0.0003603400000000 ] - [ -0.0003517700000000, 0.0000979500000000, -0.0004096100000000 ] - [ 0.0002190300000000, -0.0000892900000000, -0.0001649700000000 ] - [ 0.0034199700000000, -0.0030808000000000, -0.0011770800000000 ] - [ -0.0010354900000000, 0.0007515800000000, 0.0018082500000000 ] - [ 0.0000289500000000, -0.0001391300000000, 0.0002535300000000 ] - [ -0.0001280900000000, 0.0001519900000000, 0.0003319600000000 ] - [ 0.0004011000000000, 0.0000051800000000, 0.0005551200000000 ] - [ 0.0014046900000000, 0.0020969200000000, 0.0102145200000000 ] - [ -0.0001448600000000, 0.0000637700000000, 0.0005912000000000 ] - [ -0.0009987500000000, 0.0002082800000000, -0.0005077700000000 ] - [ -0.0001991100000000, 0.0005567700000000, -0.0009855000000000 ] - [ -0.0491946900000000, -0.0784689200000000, -0.1689423900000000 ] - [ 0.0005416000000000, 0.0008022400000000, -0.0005073800000000 ] - [ 0.0008985500000000, -0.0000500700000000, -0.0010143600000000 ] - [ 0.0011776300000000, 0.0029360000000000, -0.0000888100000000 ] - [ 0.0007974600000000, 0.0007089800000000, 0.0004212300000000 ] - [ 0.0010269100000000, 0.0018339600000000, 0.0018411300000000 ] - [ -0.0001874000000000, 0.0000835500000000, 0.0001764900000000 ] - [ 0.0001983800000000, -0.0024491100000000, 0.0014290600000000 ] - [ -0.0003294000000000, 0.0007811300000000, 0.0002933500000000 ] - [ 0.0012634300000000, -0.0001375700000000, 0.0001977000000000 ] - [ -0.0050798400000000, 0.0003684900000000, -0.0006793900000000 ] - [ -0.0005220100000000, 0.0006578500000000, -0.0002539400000000 ] - [ 0.0004682900000000, 0.0001912600000000, -0.0002149100000000 ] - [ 0.0002815200000000, -0.0007612700000000, 0.0005214200000000 ] - [ -0.0017297200000000, 0.0013170800000000, 0.0082941700000000 ] - [ 0.0000982700000000, -0.0004698800000000, 0.0046813600000000 ]- atom: 34 displacement: [ 0.0100000000000000, -0.0000000000071070, 0.0000000000000000 ] forces: - [ 0.0005351400000000, 0.0004485900000000, 0.0006137700000000 ] - [ -0.0004223800000000, -0.0000509900000000, -0.0002828500000000 ] - [ 0.0007011800000000, 0.0002294700000000, 0.0001183100000000 ] - [ 0.0000369300000000, 0.0001857500000000, -0.0001003000000000 ] - [ -0.0000041900000000, 0.0000174100000000, 0.0001512000000000 ] - [ -0.0005681300000000, 0.0001532800000000, 0.0001832800000000 ] - [ -0.0007778000000000, 0.0003751500000000, 0.0000453800000000 ] - [ -0.0008846500000000, -0.0027193200000000, -0.0002150000000000 ] - [ -0.0002143600000000, -0.0002643700000000, 0.0000053500000000 ] - [ 0.0000273500000000, -0.0005455500000000, -0.0000202800000000 ] - [ 0.0096895600000000, 0.0080671300000000, 0.0000195300000000 ] - [ 0.0005746900000000, 0.0014213400000000, -0.0000194500000000 ] - [ 0.0002693800000000, -0.0002980300000000, 0.0000034800000000 ] - [ -0.0001886400000000, 0.0003069000000000, -0.0001655800000000 ] - [ -0.0003410900000000, -0.0000592300000000, -0.0000702000000000 ] - [ -0.0005590900000000, 0.0006091100000000, -0.0006962100000000 ] - [ -0.0004755500000000, -0.0000324200000000, -0.0001727100000000 ] - [ 0.0001316700000000, -0.0002438900000000, -0.0000391300000000 ] - [ 0.0004405300000000, -0.0004385100000000, 0.0002491200000000 ] - [ 0.0041930900000000, 0.0025939900000000, 0.0029593400000000 ] - [ -0.0067092900000000, -0.0022163600000000, 0.0029691900000000 ] - [ 0.0000426500000000, -0.0003703800000000, -0.0001223500000000 ] - [ 0.0011264100000000, -0.0004332700000000, -0.0004808500000000 ] - [ 0.0000823200000000, -0.0034027300000000, -0.0001129700000000 ] - [ -0.0000908200000000, 0.0002873000000000, 0.0004231000000000 ] - [ 0.0004395200000000, 0.0004419800000000, 0.0001173500000000 ] - [ -0.0002217600000000, -0.0005561000000000, -0.0008148800000000 ] - [ -0.0005089400000000, 0.0013965800000000, 0.0000659700000000 ] - [ 0.0002511400000000, 0.0001997600000000, -0.0000596500000000 ] - [ 0.0001560000000000, -0.0000112900000000, -0.0001105100000000 ] - [ -0.0060759200000000, -0.0021694200000000, 0.0021191800000000 ] - [ 0.0008366300000000, -0.0006506400000000, 0.0007041600000000 ] - [ -0.0000697300000000, 0.0000516300000000, 0.0001269100000000 ] - [ -0.0739928100000000, -0.0617655900000000, 0.0434105700000000 ] - [ 0.0012621500000000, 0.0003204400000000, -0.0001421200000000 ] - [ 0.0006293100000000, -0.0006854700000000, 0.0002444700000000 ] - [ -0.0005825200000000, -0.0000260700000000, -0.0000938100000000 ] - [ -0.0004702700000000, 0.0005201400000000, -0.0001201600000000 ] - [ 0.0008904400000000, -0.0004161400000000, -0.0002264100000000 ] - [ -0.0003538200000000, 0.0000040800000000, -0.0003364500000000 ] - [ -0.0002030800000000, 0.0001038200000000, -0.0005496200000000 ] - [ 0.0002996900000000, -0.0002416100000000, 0.0000253700000000 ] - [ 0.0002657900000000, 0.0007501600000000, 0.0001300800000000 ] - [ 0.0014012700000000, 0.0006972700000000, -0.0001126400000000 ] - [ -0.0000868400000000, 0.0002188600000000, 0.0000451600000000 ] - [ 0.0008190200000000, 0.0017335300000000, -0.0034715400000000 ] - [ -0.0004529900000000, -0.0018768900000000, -0.0015772100000000 ] - [ 0.0003329500000000, -0.0000508200000000, -0.0004293900000000 ] - [ 0.0020501200000000, -0.0005941700000000, 0.0006785300000000 ] - [ 0.0000504500000000, 0.0000623000000000, 0.0002689300000000 ] - [ 0.0004339400000000, -0.0006928800000000, -0.0000335900000000 ] - [ -0.0002511400000000, -0.0008131700000000, 0.0004925200000000 ] - [ 0.0096675800000000, 0.0079930900000000, -0.0131628200000000 ] - [ 0.0016954400000000, 0.0012967200000000, -0.0001007400000000 ] - [ 0.0006052300000000, 0.0001478200000000, 0.0001175500000000 ] - [ -0.0005894200000000, 0.0015553400000000, -0.0000369000000000 ] - [ 0.0000994100000000, 0.0007369700000000, -0.0001142400000000 ] - [ 0.0001614900000000, -0.0000399400000000, 0.0000353100000000 ] - [ -0.0004184800000000, 0.0013641800000000, 0.0007745200000000 ] - [ 0.0003023100000000, 0.0004307400000000, -0.0000833200000000 ] - [ -0.0026980800000000, 0.0006670500000000, 0.0000634200000000 ] - [ 0.0010706300000000, -0.0000626700000000, -0.0001291200000000 ] - [ -0.0002945600000000, -0.0002899900000000, -0.0000826300000000 ] - [ -0.0001815700000000, 0.0002921100000000, -0.0000695300000000 ] - [ 0.0014412700000000, 0.0004239200000000, -0.0003373700000000 ] - [ -0.0000755900000000, 0.0004769600000000, 0.0000789300000000 ] - [ -0.0006965500000000, -0.0006041000000000, -0.0002388000000000 ] - [ 0.0001606700000000, -0.0001141900000000, 0.0000233400000000 ] - [ 0.0004814400000000, -0.0003263700000000, 0.0001108300000000 ] - [ 0.0005139300000000, -0.0001017400000000, -0.0001571100000000 ] - [ 0.0000711600000000, 0.0004143000000000, -0.0000662300000000 ] - [ -0.0001659200000000, 0.0007175500000000, -0.0003619400000000 ] - [ 0.0000639600000000, -0.0003643800000000, 0.0000613100000000 ] - [ -0.0012803800000000, 0.0006245200000000, -0.0014695700000000 ] - [ 0.0004137000000000, 0.0005776600000000, -0.0001940100000000 ] - [ 0.0007835000000000, -0.0003499100000000, -0.0000050900000000 ] - [ 0.0001428500000000, -0.0001437000000000, -0.0000874100000000 ] - [ 0.0051539400000000, 0.0049899000000000, 0.0031628700000000 ] - [ 0.0003296000000000, -0.0002870400000000, 0.0000271000000000 ] - [ -0.0003135200000000, -0.0003208600000000, 0.0001377100000000 ] - [ 0.0006213100000000, -0.0000247700000000, -0.0001874800000000 ] - [ 0.0001634800000000, -0.0001819300000000, 0.0000949300000000 ] - [ -0.0001397900000000, -0.0001746700000000, -0.0001325700000000 ] - [ 0.0009382500000000, -0.0005749000000000, -0.0014558200000000 ] - [ 0.0008210200000000, 0.0001326900000000, -0.0001285100000000 ] - [ -0.0001094400000000, -0.0005974900000000, -0.0003802500000000 ] - [ -0.0013536800000000, 0.0005820100000000, -0.0003291700000000 ] - [ 0.0006895600000000, -0.0002628500000000, 0.0003327800000000 ] - [ 0.0001805400000000, -0.0001017000000000, 0.0000846700000000 ] - [ -0.0003324700000000, -0.0019614600000000, 0.0011813000000000 ] - [ -0.0011711400000000, 0.0006675900000000, -0.0001557900000000 ] - [ 0.0015117200000000, -0.0009942000000000, -0.0019348100000000 ] - [ 0.0003108700000000, 0.0004578100000000, -0.0002421300000000 ] - [ -0.0002357500000000, -0.0005549800000000, 0.0001547800000000 ] - [ -0.0001240900000000, -0.0004022200000000, 0.0001231200000000 ] - [ -0.0001825600000000, -0.0004106700000000, 0.0000475900000000 ] - [ 0.0003738300000000, -0.0008538300000000, -0.0000183900000000 ] - [ -0.0010407800000000, -0.0003921400000000, 0.0000635400000000 ] - [ 0.0005357200000000, -0.0002332700000000, 0.0000867200000000 ] - [ -0.0002504200000000, 0.0007324000000000, 0.0001910200000000 ] - [ -0.0009938700000000, -0.0000807900000000, 0.0000348900000000 ] - [ -0.0044517100000000, 0.0040172800000000, 0.0004570800000000 ] - [ 0.0011128900000000, 0.0005931900000000, -0.0004206300000000 ] - [ -0.0001599700000000, 0.0000099000000000, 0.0000803800000000 ] - [ -0.0007301200000000, 0.0000831600000000, -0.0000497500000000 ] - [ -0.0018427300000000, -0.0004402400000000, 0.0007480600000000 ] - [ 0.0085749000000000, 0.0085388000000000, 0.0160949100000000 ] - [ -0.0002962600000000, 0.0006326300000000, 0.0002766800000000 ] - [ -0.0004792700000000, 0.0010700800000000, -0.0008612000000000 ] - [ -0.0050297900000000, -0.0003262100000000, -0.0008046200000000 ] - [ 0.0544005600000000, 0.0331436300000000, -0.0513567600000000 ] - [ 0.0007368900000000, -0.0013375700000000, 0.0001269100000000 ] - [ -0.0015037900000000, -0.0001939700000000, 0.0007800300000000 ] - [ 0.0003228000000000, -0.0005321700000000, 0.0000633400000000 ] - [ -0.0001718600000000, -0.0013028000000000, 0.0000333700000000 ] - [ -0.0011010300000000, -0.0045347000000000, -0.0003490100000000 ] - [ -0.0005086000000000, -0.0005587300000000, -0.0003141400000000 ] - [ 0.0029235400000000, 0.0045538900000000, -0.0017239900000000 ] - [ 0.0000592200000000, 0.0000539300000000, 0.0000255200000000 ] - [ -0.0025558000000000, 0.0007651800000000, 0.0003076000000000 ] - [ 0.0007431600000000, 0.0012238600000000, 0.0014020600000000 ] - [ -0.0002753800000000, 0.0005666100000000, -0.0000861000000000 ] - [ -0.0008035900000000, 0.0000272600000000, -0.0001468600000000 ] - [ -0.0015104000000000, 0.0003181100000000, 0.0003565600000000 ] - [ 0.0023231900000000, -0.0014026000000000, 0.0030324300000000 ] - [ 0.0001033000000000, 0.0009862800000000, 0.0014072300000000 ]- atom: 34 displacement: [ -0.0100000000000000, 0.0000000000071070, 0.0000000000000000 ] forces: - [ -0.0005651000000000, -0.0003963500000000, -0.0003181600000000 ] - [ 0.0001536700000000, 0.0002247800000000, 0.0000599000000000 ] - [ -0.0007890000000000, -0.0005592200000000, -0.0003551100000000 ] - [ 0.0002509900000000, -0.0001259100000000, -0.0001296200000000 ] - [ 0.0000440800000000, -0.0000202200000000, 0.0001407500000000 ] - [ 0.0006370100000000, -0.0000630000000000, 0.0001181100000000 ] - [ 0.0007758500000000, -0.0002524100000000, -0.0000442600000000 ] - [ 0.0006733200000000, 0.0028620100000000, 0.0002563300000000 ] - [ 0.0001109500000000, -0.0000069600000000, 0.0000302000000000 ] - [ 0.0002121000000000, 0.0005652500000000, 0.0000543900000000 ] - [ -0.0099349500000000, -0.0086117200000000, 0.0000413400000000 ] - [ -0.0004669700000000, -0.0013919700000000, 0.0000309900000000 ] - [ -0.0002885300000000, 0.0004307400000000, -0.0000557200000000 ] - [ -0.0000492300000000, -0.0001334800000000, -0.0000139700000000 ] - [ 0.0002333200000000, -0.0002429000000000, -0.0001079300000000 ] - [ 0.0008276900000000, -0.0005790000000000, 0.0005118100000000 ] - [ 0.0004427700000000, -0.0000081200000000, 0.0001169700000000 ] - [ -0.0000021500000000, 0.0002835100000000, -0.0000049600000000 ] - [ -0.0003680900000000, 0.0004537000000000, -0.0001668400000000 ] - [ -0.0042533400000000, -0.0025717500000000, -0.0029107200000000 ] - [ 0.0066917500000000, 0.0021049100000000, -0.0028261400000000 ] - [ -0.0001528900000000, -0.0000777100000000, -0.0002237700000000 ] - [ -0.0006799800000000, 0.0005553500000000, 0.0001313500000000 ] - [ -0.0004089000000000, 0.0036974800000000, -0.0002458400000000 ] - [ 0.0001563800000000, -0.0005832700000000, 0.0001374400000000 ] - [ -0.0007229400000000, -0.0003462200000000, 0.0004514300000000 ] - [ 0.0004573200000000, 0.0001895200000000, 0.0005836600000000 ] - [ 0.0007314200000000, -0.0012046700000000, 0.0004943300000000 ] - [ -0.0006462900000000, -0.0001803800000000, -0.0001671400000000 ] - [ 0.0000368800000000, 0.0004055800000000, -0.0001179200000000 ] - [ 0.0064289100000000, 0.0017127800000000, -0.0021943000000000 ] - [ -0.0014096300000000, 0.0005788600000000, -0.0007833000000000 ] - [ 0.0002887700000000, 0.0004753600000000, -0.0001988000000000 ] - [ 0.0746758900000000, 0.0617446200000000, -0.0429038100000000 ] - [ -0.0015135500000000, -0.0000287800000000, 0.0001190400000000 ] - [ -0.0002607700000000, 0.0007529000000000, -0.0002744800000000 ] - [ 0.0004489700000000, 0.0002338100000000, -0.0001669600000000 ] - [ 0.0007317600000000, -0.0005281100000000, -0.0001460700000000 ] - [ -0.0010111500000000, 0.0001261400000000, -0.0000411700000000 ] - [ 0.0002614200000000, 0.0001126400000000, 0.0004273700000000 ] - [ 0.0003641000000000, -0.0000809400000000, 0.0006339300000000 ] - [ -0.0003313900000000, 0.0001368200000000, 0.0000663800000000 ] - [ -0.0002197600000000, -0.0007374000000000, -0.0000644300000000 ] - [ -0.0014310600000000, -0.0006669900000000, 0.0001684100000000 ] - [ 0.0000775800000000, -0.0002636800000000, 0.0000136400000000 ] - [ -0.0009205100000000, -0.0021921600000000, 0.0031464800000000 ] - [ 0.0009033900000000, 0.0019995700000000, 0.0012213300000000 ] - [ -0.0006778800000000, 0.0003554800000000, 0.0000892900000000 ] - [ -0.0019811400000000, 0.0003078900000000, -0.0000919500000000 ] - [ -0.0003290500000000, 0.0000216800000000, 0.0003245000000000 ] - [ -0.0001826100000000, 0.0003321400000000, -0.0002251200000000 ] - [ 0.0004720600000000, 0.0009945700000000, 0.0000912700000000 ] - [ -0.0098336800000000, -0.0078273800000000, 0.0126563400000000 ] - [ -0.0015192000000000, -0.0009101100000000, -0.0001558300000000 ] - [ -0.0002736400000000, -0.0006142500000000, -0.0001758800000000 ] - [ 0.0000044800000000, -0.0015860600000000, -0.0000273700000000 ] - [ 0.0001393900000000, -0.0002191100000000, 0.0000636300000000 ] - [ -0.0003331600000000, -0.0003650600000000, 0.0000224700000000 ] - [ 0.0001647700000000, -0.0010571000000000, -0.0007168100000000 ] - [ 0.0000657500000000, -0.0003677200000000, 0.0001288800000000 ] - [ 0.0025820900000000, -0.0004133400000000, -0.0002967200000000 ] - [ -0.0008015700000000, 0.0000399100000000, -0.0001006400000000 ] - [ 0.0001586000000000, -0.0000058900000000, -0.0001498500000000 ] - [ 0.0000740400000000, -0.0001870100000000, 0.0001405700000000 ] - [ -0.0012889700000000, -0.0003799500000000, 0.0004075700000000 ] - [ 0.0000609000000000, -0.0005892500000000, 0.0000001400000000 ] - [ 0.0007415600000000, 0.0006177900000000, 0.0003759700000000 ] - [ -0.0001915200000000, 0.0001421200000000, 0.0001038900000000 ] - [ -0.0004925000000000, 0.0002803800000000, 0.0000187500000000 ] - [ -0.0006066300000000, -0.0003394300000000, -0.0001964200000000 ] - [ 0.0003619800000000, -0.0002745900000000, -0.0002874600000000 ] - [ -0.0001791600000000, -0.0004236700000000, 0.0000087800000000 ] - [ -0.0000061700000000, 0.0000789500000000, 0.0004787400000000 ] - [ 0.0010141400000000, -0.0005240700000000, 0.0020307300000000 ] - [ -0.0001680600000000, -0.0009330600000000, -0.0000089900000000 ] - [ -0.0005578200000000, 0.0005233600000000, 0.0005437300000000 ] - [ -0.0005328900000000, 0.0001549800000000, -0.0001131500000000 ] - [ -0.0049540900000000, -0.0045754300000000, -0.0033321000000000 ] - [ 0.0000099800000000, -0.0001683000000000, -0.0000343500000000 ] - [ -0.0002581700000000, 0.0002676100000000, -0.0001475200000000 ] - [ -0.0003995800000000, 0.0005436300000000, 0.0001865300000000 ] - [ -0.0003304000000000, -0.0002097200000000, -0.0000745700000000 ] - [ -0.0000969400000000, 0.0004612800000000, 0.0001484300000000 ] - [ -0.0005835700000000, 0.0006316600000000, 0.0014592300000000 ] - [ -0.0009458800000000, 0.0001031700000000, -0.0001366300000000 ] - [ 0.0003825500000000, 0.0005739800000000, 0.0001131800000000 ] - [ 0.0012203200000000, -0.0008783200000000, 0.0000630900000000 ] - [ -0.0007946800000000, 0.0003722600000000, -0.0002124700000000 ] - [ -0.0000243800000000, 0.0001356700000000, 0.0000323800000000 ] - [ 0.0003132800000000, 0.0018415100000000, -0.0010443300000000 ] - [ 0.0008457900000000, -0.0004479800000000, 0.0002438100000000 ] - [ -0.0015872000000000, 0.0005819400000000, 0.0020247400000000 ] - [ 0.0000296700000000, -0.0002843800000000, 0.0003052800000000 ] - [ 0.0000608900000000, 0.0007071600000000, -0.0000953200000000 ] - [ 0.0000796600000000, 0.0001728000000000, -0.0000654000000000 ] - [ 0.0004163700000000, 0.0004997100000000, 0.0000038700000000 ] - [ -0.0006860400000000, 0.0010322000000000, 0.0000820700000000 ] - [ 0.0010169600000000, 0.0000213100000000, -0.0000033300000000 ] - [ -0.0002242800000000, 0.0004021900000000, -0.0000247900000000 ] - [ -0.0000164000000000, -0.0005648800000000, -0.0001190800000000 ] - [ 0.0009875600000000, -0.0002231000000000, 0.0000347100000000 ] - [ 0.0047131800000000, -0.0038417300000000, -0.0003891000000000 ] - [ -0.0014438500000000, -0.0004122100000000, 0.0005359300000000 ] - [ 0.0001426700000000, -0.0003884400000000, 0.0000356700000000 ] - [ 0.0010538300000000, 0.0000973100000000, 0.0001664700000000 ] - [ 0.0016089500000000, 0.0006025100000000, -0.0007398900000000 ] - [ -0.0088517000000000, -0.0088660300000000, -0.0161451800000000 ] - [ 0.0005564500000000, -0.0004979100000000, -0.0002705600000000 ] - [ 0.0008475500000000, -0.0010476600000000, 0.0006489000000000 ] - [ 0.0048283700000000, 0.0006384900000000, 0.0005867400000000 ] - [ -0.0551543100000000, -0.0333376700000000, 0.0508143100000000 ] - [ -0.0011261000000000, 0.0010559700000000, 0.0000680200000000 ] - [ 0.0019296200000000, 0.0000036400000000, -0.0005722000000000 ] - [ -0.0003750100000000, 0.0010278200000000, 0.0001398800000000 ] - [ 0.0005629700000000, 0.0013335300000000, -0.0002575900000000 ] - [ 0.0008866300000000, 0.0048275400000000, 0.0001273900000000 ] - [ 0.0003425500000000, 0.0002121500000000, 0.0000840900000000 ] - [ -0.0033074900000000, -0.0047913900000000, 0.0019670400000000 ] - [ 0.0003304200000000, -0.0002511400000000, 0.0002346800000000 ] - [ 0.0025345300000000, -0.0002889000000000, -0.0000489700000000 ] - [ -0.0003437700000000, -0.0011929800000000, -0.0015558300000000 ] - [ 0.0000507800000000, -0.0002566200000000, -0.0000739100000000 ] - [ 0.0006305000000000, -0.0003747700000000, -0.0000194000000000 ] - [ 0.0011116000000000, -0.0005709600000000, -0.0001522100000000 ] - [ -0.0019312000000000, 0.0012012400000000, -0.0028346300000000 ] - [ -0.0001328300000000, -0.0005029700000000, -0.0011903300000000 ]- atom: 34 displacement: [ -0.0049999999943570, 0.0086602540411024, 0.0000000000000000 ] forces: - [ -0.0000621800000000, -0.0003952300000000, -0.0008026200000000 ] - [ -0.0003488300000000, 0.0001651500000000, -0.0000981300000000 ] - [ -0.0001397800000000, 0.0007387800000000, 0.0000426300000000 ] - [ 0.0007071200000000, -0.0000996900000000, 0.0000156900000000 ] - [ 0.0003510700000000, -0.0005281600000000, 0.0001635000000000 ] - [ 0.0002267400000000, 0.0000800800000000, 0.0000909800000000 ] - [ 0.0003737300000000, 0.0002817800000000, -0.0000900400000000 ] - [ -0.0007113900000000, 0.0007190500000000, 0.0000254500000000 ] - [ 0.0002439700000000, -0.0004303400000000, -0.0000066100000000 ] - [ -0.0002276900000000, -0.0002283200000000, -0.0000592100000000 ] - [ 0.0025935300000000, 0.0087572300000000, 0.0000236700000000 ] - [ 0.0007467700000000, -0.0028922900000000, -0.0013863600000000 ] - [ -0.0004245400000000, -0.0000844400000000, 0.0001130800000000 ] - [ 0.0002974000000000, -0.0005157800000000, 0.0001989000000000 ] - [ -0.0001044500000000, -0.0003245900000000, -0.0000950900000000 ] - [ 0.0009419800000000, 0.0008608300000000, 0.0004160700000000 ] - [ -0.0000472300000000, -0.0000466700000000, -0.0000173900000000 ] - [ -0.0001271100000000, -0.0002118700000000, 0.0000948800000000 ] - [ -0.0008198800000000, -0.0002969400000000, -0.0000359400000000 ] - [ 0.0013207300000000, -0.0009134400000000, 0.0002738300000000 ] - [ 0.0019828500000000, 0.0136867700000000, -0.0172139400000000 ] - [ -0.0007392300000000, 0.0003894000000000, -0.0002484600000000 ] - [ -0.0000696400000000, 0.0002110200000000, -0.0000809700000000 ] - [ -0.0034113600000000, 0.0025230900000000, 0.0012198300000000 ] - [ 0.0007098500000000, 0.0000237100000000, 0.0004514400000000 ] - [ -0.0002189000000000, 0.0002260000000000, 0.0002587800000000 ] - [ 0.0004360600000000, -0.0009358300000000, -0.0000971100000000 ] - [ 0.0011895400000000, 0.0001023200000000, -0.0000701400000000 ] - [ 0.0000096800000000, 0.0001616300000000, -0.0001279700000000 ] - [ -0.0002502900000000, 0.0008440900000000, -0.0001924400000000 ] - [ 0.0016750400000000, -0.0062003300000000, 0.0021691000000000 ] - [ -0.0000401400000000, -0.0004903200000000, 0.0001146800000000 ] - [ -0.0020931900000000, 0.0009564500000000, 0.0000231700000000 ] - [ -0.0164864200000000, -0.0808068500000000, 0.0381254700000000 ] - [ -0.0001028300000000, -0.0003270000000000, -0.0000940500000000 ] - [ -0.0012270900000000, 0.0008238400000000, 0.0000923500000000 ] - [ 0.0012788200000000, 0.0022561500000000, -0.0007160300000000 ] - [ 0.0006237600000000, 0.0004243000000000, 0.0003386100000000 ] - [ -0.0002715200000000, -0.0002105800000000, -0.0001140500000000 ] - [ -0.0000960700000000, 0.0000299300000000, -0.0005326600000000 ] - [ 0.0004898600000000, -0.0001280600000000, -0.0002580400000000 ] - [ -0.0003261300000000, -0.0003049100000000, -0.0000375200000000 ] - [ 0.0005803900000000, 0.0005792100000000, 0.0000268900000000 ] - [ 0.0002166100000000, -0.0002592800000000, 0.0000293900000000 ] - [ -0.0002578600000000, 0.0011862500000000, -0.0003646500000000 ] - [ 0.0012299200000000, -0.0005665400000000, -0.0008399900000000 ] - [ -0.0007056400000000, 0.0043250300000000, 0.0045318800000000 ] - [ -0.0006687800000000, -0.0001333200000000, 0.0000924500000000 ] - [ -0.0009403500000000, -0.0004756300000000, 0.0001732500000000 ] - [ -0.0000697800000000, 0.0006657700000000, 0.0002496800000000 ] - [ -0.0008273900000000, 0.0009901500000000, -0.0000302700000000 ] - [ -0.0011678600000000, 0.0022904600000000, 0.0004906700000000 ] - [ 0.0019940800000000, -0.0074909700000000, 0.0025043300000000 ] - [ 0.0004147200000000, 0.0002792200000000, -0.0001158600000000 ] - [ 0.0000371300000000, 0.0000491800000000, 0.0000918900000000 ] - [ 0.0004078300000000, -0.0003150700000000, 0.0003733100000000 ] - [ 0.0010854700000000, 0.0005716400000000, -0.0003587800000000 ] - [ -0.0001978400000000, 0.0001228300000000, -0.0000865300000000 ] - [ 0.0003219600000000, -0.0002735900000000, -0.0001362300000000 ] - [ 0.0005870000000000, 0.0002407400000000, -0.0001110600000000 ] - [ 0.0003620800000000, 0.0080276200000000, -0.0009199400000000 ] - [ -0.0002257800000000, -0.0002886700000000, -0.0001045300000000 ] - [ -0.0002529300000000, 0.0012484400000000, 0.0000758500000000 ] - [ 0.0001329900000000, 0.0006970900000000, 0.0007392500000000 ] - [ 0.0000652100000000, -0.0001086400000000, 0.0001305200000000 ] - [ 0.0005513000000000, 0.0003901500000000, 0.0003625200000000 ] - [ -0.0002217400000000, -0.0004928300000000, -0.0000321700000000 ] - [ -0.0008418300000000, 0.0004991500000000, 0.0000929300000000 ] - [ -0.0001355100000000, 0.0002066500000000, 0.0000483000000000 ] - [ 0.0001176300000000, -0.0003447300000000, -0.0001447700000000 ] - [ 0.0002106600000000, 0.0004874300000000, 0.0000804400000000 ] - [ 0.0005436100000000, 0.0007599100000000, -0.0005918700000000 ] - [ -0.0012231300000000, 0.0003715200000000, 0.0005937100000000 ] - [ 0.0007459500000000, -0.0004468600000000, -0.0011439300000000 ] - [ 0.0004437500000000, -0.0000730300000000, -0.0001530300000000 ] - [ 0.0002412500000000, -0.0003219600000000, 0.0002176300000000 ] - [ -0.0009518400000000, 0.0005630300000000, -0.0000730200000000 ] - [ 0.0004388200000000, -0.0019941400000000, -0.0000054600000000 ] - [ 0.0002570100000000, 0.0001820500000000, 0.0000662700000000 ] - [ -0.0007301800000000, 0.0007842500000000, -0.0005504500000000 ] - [ -0.0001639500000000, -0.0000417700000000, -0.0000680200000000 ] - [ -0.0000651000000000, 0.0002084600000000, -0.0000103200000000 ] - [ -0.0005011800000000, 0.0008318000000000, 0.0003717700000000 ] - [ 0.0000181700000000, -0.0003935700000000, 0.0002524700000000 ] - [ -0.0003630700000000, -0.0000710100000000, -0.0001315800000000 ] - [ 0.0002042600000000, 0.0016147100000000, 0.0002640500000000 ] - [ 0.0004758800000000, -0.0003732100000000, -0.0006368100000000 ] - [ -0.0003042500000000, 0.0001187000000000, -0.0000486000000000 ] - [ -0.0004516600000000, 0.0005496100000000, 0.0000301900000000 ] - [ -0.0017257800000000, 0.0018278600000000, -0.0019517800000000 ] - [ 0.0002519700000000, 0.0005912100000000, 0.0002864600000000 ] - [ -0.0007542500000000, 0.0002622500000000, -0.0007863500000000 ] - [ 0.0025577800000000, -0.0031097900000000, 0.0047476600000000 ] - [ -0.0006051600000000, 0.0007637300000000, 0.0002622000000000 ] - [ 0.0002098300000000, -0.0004891200000000, 0.0000906100000000 ] - [ -0.0005160300000000, -0.0004217800000000, 0.0000257200000000 ] - [ -0.0008542800000000, -0.0004329700000000, -0.0003652600000000 ] - [ -0.0000893700000000, -0.0000891500000000, 0.0000647400000000 ] - [ -0.0013988400000000, -0.0023045400000000, 0.0000478100000000 ] - [ 0.0006994000000000, -0.0015198600000000, -0.0006492300000000 ] - [ -0.0000420900000000, -0.0005751000000000, 0.0000347400000000 ] - [ 0.0024784000000000, 0.0020194400000000, -0.0009170500000000 ] - [ -0.0002731700000000, -0.0006171300000000, 0.0017857100000000 ] - [ 0.0005295200000000, -0.0011724300000000, 0.0000258700000000 ] - [ 0.0005217300000000, 0.0001893200000000, 0.0001776800000000 ] - [ -0.0006850100000000, 0.0004874500000000, -0.0001232000000000 ] - [ 0.0025642200000000, 0.0104962500000000, 0.0141253300000000 ] - [ 0.0014376100000000, -0.0003420100000000, -0.0002327400000000 ] - [ 0.0030919600000000, -0.0009859300000000, -0.0005047100000000 ] - [ -0.0009224700000000, 0.0009349700000000, 0.0000331000000000 ] - [ 0.0008189400000000, 0.0553771800000000, -0.0431440400000000 ] - [ -0.0026541300000000, -0.0013171300000000, 0.0003278700000000 ] - [ 0.0002628000000000, -0.0000983900000000, -0.0000710200000000 ] - [ -0.0009027500000000, -0.0005102700000000, -0.0006108600000000 ] - [ -0.0008235600000000, -0.0005995200000000, 0.0004281300000000 ] - [ -0.0011234700000000, 0.0012853800000000, -0.0004675600000000 ] - [ 0.0007669700000000, -0.0012606600000000, -0.0001949600000000 ] - [ 0.0050228000000000, -0.0079470600000000, 0.0014540800000000 ] - [ 0.0010964800000000, -0.0017496200000000, 0.0002407100000000 ] - [ 0.0011306000000000, 0.0002944700000000, 0.0000993200000000 ] - [ 0.0002373600000000, 0.0011892700000000, -0.0002870400000000 ] - [ 0.0009713100000000, -0.0010750500000000, 0.0001085700000000 ] - [ -0.0002033700000000, -0.0007100300000000, -0.0000996700000000 ] - [ 0.0003101800000000, 0.0005332700000000, -0.0000978200000000 ] - [ -0.0007526200000000, 0.0004206000000000, 0.0012248000000000 ] - [ 0.0010978400000000, -0.0016113500000000, -0.0021968700000000 ]- atom: 34 displacement: [ 0.0049999999943570, -0.0086602540411024, 0.0000000000000000 ] forces: - [ 0.0000327400000000, 0.0004462600000000, 0.0011026200000000 ] - [ 0.0000793800000000, 0.0000089200000000, -0.0001263100000000 ] - [ 0.0000451900000000, -0.0010633000000000, -0.0002800100000000 ] - [ -0.0004147000000000, 0.0001596200000000, -0.0002437400000000 ] - [ -0.0003105900000000, 0.0005224600000000, 0.0001285700000000 ] - [ -0.0001559100000000, 0.0000091500000000, 0.0002098900000000 ] - [ -0.0003759700000000, -0.0001557400000000, 0.0000904400000000 ] - [ 0.0004998900000000, -0.0005495300000000, 0.0000187700000000 ] - [ -0.0003455100000000, 0.0001598500000000, 0.0000433400000000 ] - [ 0.0004680600000000, 0.0002433700000000, 0.0000936600000000 ] - [ -0.0028196500000000, -0.0088588700000000, 0.0000079400000000 ] - [ -0.0006276200000000, 0.0028967500000000, 0.0013822400000000 ] - [ 0.0004017700000000, 0.0002179900000000, -0.0001648900000000 ] - [ -0.0005351200000000, 0.0006906400000000, -0.0003792600000000 ] - [ -0.0000045100000000, 0.0000194100000000, -0.0000833500000000 ] - [ -0.0006739400000000, -0.0008393200000000, -0.0005985300000000 ] - [ 0.0000159600000000, 0.0000076700000000, -0.0000387000000000 ] - [ 0.0002573200000000, 0.0002506700000000, -0.0001405700000000 ] - [ 0.0008875700000000, 0.0003033200000000, 0.0001181900000000 ] - [ -0.0013429100000000, 0.0009749200000000, -0.0001930600000000 ] - [ -0.0019786400000000, -0.0134577200000000, 0.0169994000000000 ] - [ 0.0006297200000000, -0.0008350900000000, -0.0000953300000000 ] - [ 0.0005157800000000, -0.0000871100000000, -0.0002673700000000 ] - [ 0.0031216200000000, -0.0022347700000000, -0.0015976900000000 ] - [ -0.0006460900000000, -0.0003180100000000, 0.0001085400000000 ] - [ -0.0000707000000000, -0.0001362000000000, 0.0003112400000000 ] - [ -0.0001979900000000, 0.0005710100000000, -0.0001264700000000 ] - [ -0.0009521900000000, 0.0000811600000000, 0.0006282100000000 ] - [ -0.0004047500000000, -0.0001404800000000, -0.0000980500000000 ] - [ 0.0004409200000000, -0.0004495900000000, -0.0000365100000000 ] - [ -0.0013248000000000, 0.0057481100000000, -0.0022299600000000 ] - [ -0.0005270800000000, 0.0004137700000000, -0.0001875200000000 ] - [ 0.0022896000000000, -0.0004260700000000, -0.0000922400000000 ] - [ 0.0161371300000000, 0.0811125700000000, -0.0378950300000000 ] - [ -0.0001402500000000, 0.0006187600000000, 0.0000693900000000 ] - [ 0.0015860400000000, -0.0007573100000000, -0.0001203000000000 ] - [ -0.0013949100000000, -0.0020273700000000, 0.0004478400000000 ] - [ -0.0003663200000000, -0.0004308200000000, -0.0006063800000000 ] - [ 0.0001469500000000, -0.0000783700000000, -0.0001527500000000 ] - [ 0.0000029900000000, 0.0000883900000000, 0.0006110700000000 ] - [ -0.0003300500000000, 0.0001515300000000, 0.0003432000000000 ] - [ 0.0002914000000000, 0.0001948700000000, 0.0001282200000000 ] - [ -0.0005322100000000, -0.0005663300000000, 0.0000379500000000 ] - [ -0.0002542700000000, 0.0002846700000000, 0.0000269300000000 ] - [ 0.0002475500000000, -0.0012371000000000, 0.0004251800000000 ] - [ -0.0013309300000000, 0.0001194800000000, 0.0005054900000000 ] - [ 0.0011468800000000, -0.0041682700000000, -0.0048465400000000 ] - [ 0.0003217600000000, 0.0004325800000000, -0.0004304100000000 ] - [ 0.0010030600000000, 0.0001941800000000, 0.0004089600000000 ] - [ -0.0002060800000000, -0.0005749200000000, 0.0003421500000000 ] - [ 0.0010744200000000, -0.0013513100000000, -0.0002270900000000 ] - [ 0.0013899100000000, -0.0021086400000000, 0.0000907600000000 ] - [ -0.0024139800000000, 0.0074820000000000, -0.0027259700000000 ] - [ -0.0002275000000000, 0.0001170200000000, -0.0001411600000000 ] - [ 0.0002915200000000, -0.0005198700000000, -0.0001508200000000 ] - [ -0.0009860900000000, 0.0002737400000000, -0.0004342800000000 ] - [ -0.0008510400000000, -0.0000528700000000, 0.0003099800000000 ] - [ 0.0000248200000000, -0.0005309100000000, 0.0001442000000000 ] - [ -0.0005712800000000, 0.0005704100000000, 0.0001885300000000 ] - [ -0.0002207600000000, -0.0001766700000000, 0.0001556400000000 ] - [ -0.0005038100000000, -0.0078920700000000, 0.0007040500000000 ] - [ 0.0004927800000000, 0.0002657100000000, -0.0001257000000000 ] - [ 0.0001198500000000, -0.0015344000000000, -0.0003056000000000 ] - [ -0.0002439300000000, -0.0005926500000000, -0.0006733900000000 ] - [ 0.0000786800000000, 0.0001474300000000, -0.0000605200000000 ] - [ -0.0005616800000000, -0.0005034700000000, -0.0002813100000000 ] - [ 0.0002711400000000, 0.0005144500000000, 0.0001727500000000 ] - [ 0.0008094900000000, -0.0004694800000000, 0.0000334000000000 ] - [ 0.0001234800000000, -0.0002497300000000, 0.0000822000000000 ] - [ -0.0002111200000000, -0.0000988600000000, -0.0002042400000000 ] - [ 0.0002205600000000, -0.0003474000000000, -0.0004334700000000 ] - [ -0.0008822600000000, -0.0004644500000000, 0.0002382400000000 ] - [ 0.0012731600000000, -0.0006555000000000, -0.0000535500000000 ] - [ -0.0010172500000000, 0.0005473300000000, 0.0017032200000000 ] - [ -0.0001966400000000, -0.0002793000000000, -0.0000506500000000 ] - [ -0.0000142300000000, 0.0004946600000000, 0.0003181000000000 ] - [ 0.0005578000000000, -0.0005535600000000, -0.0001271600000000 ] - [ -0.0002870500000000, 0.0023649800000000, -0.0002094200000000 ] - [ 0.0000843700000000, -0.0006329700000000, -0.0000707700000000 ] - [ 0.0001582300000000, -0.0008376400000000, 0.0005430800000000 ] - [ 0.0003831700000000, 0.0005637100000000, 0.0000708600000000 ] - [ -0.0000995300000000, -0.0005944000000000, 0.0000302000000000 ] - [ 0.0002641500000000, -0.0005457000000000, -0.0003590400000000 ] - [ 0.0003288300000000, 0.0004589600000000, -0.0002383000000000 ] - [ 0.0002379200000000, 0.0003056600000000, -0.0001337500000000 ] - [ 0.0000701800000000, -0.0016297400000000, -0.0005294700000000 ] - [ -0.0006155300000000, 0.0000807900000000, 0.0003718700000000 ] - [ 0.0001976700000000, -0.0000069000000000, 0.0001665600000000 ] - [ 0.0006089400000000, -0.0005135100000000, 0.0000870400000000 ] - [ 0.0017251000000000, -0.0019600200000000, 0.0021024200000000 ] - [ -0.0005747000000000, -0.0003649200000000, -0.0001979700000000 ] - [ 0.0006926800000000, -0.0006829000000000, 0.0008681900000000 ] - [ -0.0021912500000000, 0.0032553600000000, -0.0046368300000000 ] - [ 0.0004279200000000, -0.0006017900000000, -0.0002040400000000 ] - [ -0.0002506800000000, 0.0002624800000000, -0.0000340600000000 ] - [ 0.0007494000000000, 0.0005076100000000, 0.0000258600000000 ] - [ 0.0005336000000000, 0.0006127300000000, 0.0004257800000000 ] - [ 0.0000712200000000, -0.0002785300000000, -0.0000026300000000 ] - [ 0.0017201200000000, 0.0024823500000000, 0.0000154700000000 ] - [ -0.0009660400000000, 0.0016876100000000, 0.0007230100000000 ] - [ 0.0000310400000000, 0.0002648100000000, 0.0000355200000000 ] - [ -0.0021899100000000, -0.0019024800000000, 0.0009909300000000 ] - [ -0.0000547400000000, 0.0007966700000000, -0.0016804800000000 ] - [ -0.0005468500000000, 0.0007882400000000, 0.0000899900000000 ] - [ -0.0001956300000000, -0.0000097900000000, -0.0000602300000000 ] - [ 0.0004465600000000, -0.0003298500000000, 0.0001384900000000 ] - [ -0.0024959200000000, -0.0110130600000000, -0.0141845600000000 ] - [ -0.0011704800000000, 0.0004805300000000, 0.0002384800000000 ] - [ -0.0027044200000000, 0.0010136100000000, 0.0002819600000000 ] - [ 0.0006925200000000, -0.0006246400000000, -0.0002545500000000 ] - [ -0.0007028100000000, -0.0562214400000000, 0.0429303800000000 ] - [ 0.0022377700000000, 0.0010327500000000, -0.0001301500000000 ] - [ 0.0001736800000000, -0.0000859400000000, 0.0002730100000000 ] - [ 0.0008551700000000, 0.0010032400000000, 0.0008171500000000 ] - [ 0.0012150200000000, 0.0006241700000000, -0.0006529400000000 ] - [ 0.0009106100000000, -0.0009607300000000, 0.0002425600000000 ] - [ -0.0009292300000000, 0.0009216800000000, -0.0000340400000000 ] - [ -0.0054397700000000, 0.0077640100000000, -0.0012129100000000 ] - [ -0.0007071700000000, 0.0015426700000000, 0.0000177000000000 ] - [ -0.0011458500000000, 0.0001771300000000, 0.0001592500000000 ] - [ 0.0001590100000000, -0.0011736400000000, 0.0001195000000000 ] - [ -0.0011928100000000, 0.0013843500000000, -0.0002679900000000 ] - [ 0.0000282600000000, 0.0003562500000000, -0.0000672900000000 ] - [ -0.0007063800000000, -0.0007816800000000, 0.0003028600000000 ] - [ 0.0011537400000000, -0.0006263300000000, -0.0010216900000000 ] - [ -0.0011217600000000, 0.0020848700000000, 0.0024103400000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004989600000000, -0.0008647800000000, -0.0001601100000000 ] - [ 0.0000071900000000, 0.0000339100000000, -0.0005102400000000 ] - [ 0.0006081100000000, 0.0009830600000000, -0.0061073800000000 ] - [ 0.0001630300000000, 0.0000815200000000, -0.0007404700000000 ] - [ -0.0002004800000000, 0.0002478000000000, 0.0000504000000000 ] - [ 0.0002880300000000, -0.0000119100000000, 0.0001171900000000 ] - [ 0.0000755200000000, 0.0000645900000000, 0.0002416900000000 ] - [ 0.0012235900000000, 0.0025895800000000, 0.0009465000000000 ] - [ -0.0000765600000000, -0.0001187800000000, 0.0001420000000000 ] - [ 0.0002007400000000, -0.0000834700000000, 0.0002114500000000 ] - [ -0.0001711100000000, -0.0000204500000000, 0.0052717900000000 ] - [ -0.0002785000000000, -0.0003300100000000, 0.0033862600000000 ] - [ -0.0001801100000000, -0.0003316800000000, -0.0002778900000000 ] - [ -0.0001711500000000, 0.0002016400000000, -0.0000582000000000 ] - [ 0.0000847200000000, -0.0001944100000000, -0.0000284100000000 ] - [ -0.0014008700000000, 0.0007273000000000, -0.0000054800000000 ] - [ -0.0002115400000000, 0.0000214900000000, -0.0004639400000000 ] - [ 0.0001640400000000, 0.0004879700000000, -0.0002181600000000 ] - [ 0.0002834000000000, 0.0000039400000000, -0.0002455600000000 ] - [ 0.0037972400000000, 0.0013407100000000, -0.0011154900000000 ] - [ 0.0020079000000000, -0.0141666300000000, 0.0027150100000000 ] - [ 0.0000191600000000, -0.0003340500000000, -0.0004161700000000 ] - [ 0.0001743800000000, 0.0000009400000000, -0.0003489200000000 ] - [ -0.0005523800000000, 0.0026371600000000, -0.0024215300000000 ] - [ 0.0002569000000000, 0.0001011500000000, 0.0004365900000000 ] - [ -0.0003361600000000, -0.0001500100000000, 0.0004678600000000 ] - [ -0.0006977600000000, -0.0002775500000000, 0.0019966400000000 ] - [ -0.0003855700000000, -0.0010332100000000, 0.0011181700000000 ] - [ -0.0002913900000000, -0.0000437400000000, 0.0000954500000000 ] - [ 0.0000162100000000, 0.0001243600000000, 0.0001373200000000 ] - [ -0.0001024600000000, -0.0012927500000000, 0.0240989300000000 ] - [ 0.0002272900000000, -0.0001682300000000, 0.0001041300000000 ] - [ 0.0017044400000000, -0.0003349900000000, -0.0000979200000000 ] - [ 0.0407381300000000, 0.0648623500000000, -0.2672927400000000 ] - [ -0.0000165600000000, -0.0002111000000000, -0.0011937500000000 ] - [ 0.0003963300000000, 0.0000019900000000, -0.0011944200000000 ] - [ -0.0007079700000000, -0.0015049900000000, 0.0006036600000000 ] - [ 0.0004227100000000, 0.0021186300000000, 0.0001931800000000 ] - [ -0.0002138500000000, -0.0001687000000000, -0.0000154100000000 ] - [ 0.0002165400000000, -0.0007634100000000, 0.0043944900000000 ] - [ -0.0009660500000000, -0.0001201300000000, 0.0044324400000000 ] - [ -0.0000366900000000, 0.0000152600000000, 0.0005513600000000 ] - [ -0.0000467300000000, 0.0000189300000000, -0.0001092500000000 ] - [ 0.0025078000000000, 0.0011699200000000, -0.0006247900000000 ] - [ 0.0000484900000000, -0.0003053300000000, 0.0000081000000000 ] - [ -0.0034596200000000, -0.0030874900000000, 0.0022379400000000 ] - [ -0.0019026500000000, 0.0088920300000000, 0.0073722200000000 ] - [ -0.0004820200000000, 0.0001788200000000, -0.0001200000000000 ] - [ -0.0005808900000000, -0.0000364100000000, -0.0006666400000000 ] - [ -0.0000813100000000, 0.0000777100000000, 0.0001302400000000 ] - [ 0.0003792400000000, -0.0005222300000000, -0.0003854900000000 ] - [ 0.0005218200000000, -0.0002131400000000, -0.0006212200000000 ] - [ -0.0125478100000000, -0.0047238300000000, 0.0004332100000000 ] - [ 0.0009137000000000, 0.0005873300000000, -0.0002729200000000 ] - [ 0.0003244100000000, -0.0002106100000000, -0.0002881300000000 ] - [ -0.0005224600000000, 0.0011727000000000, -0.0021077800000000 ] - [ -0.0000022800000000, 0.0001240000000000, -0.0003089200000000 ] - [ -0.0000014300000000, -0.0001778200000000, 0.0002724600000000 ] - [ 0.0001180700000000, 0.0016922100000000, 0.0014564200000000 ] - [ -0.0000402800000000, -0.0002607100000000, 0.0002808100000000 ] - [ 0.0001928800000000, -0.0019411600000000, -0.0021650200000000 ] - [ 0.0000785400000000, -0.0002545700000000, -0.0003008000000000 ] - [ -0.0000379000000000, -0.0003993700000000, -0.0008027900000000 ] - [ -0.0000659500000000, 0.0002661500000000, -0.0006204400000000 ] - [ -0.0008564100000000, -0.0003396600000000, -0.0001088500000000 ] - [ -0.0002279800000000, -0.0003229300000000, -0.0005174800000000 ] - [ 0.0000740900000000, 0.0006656800000000, 0.0014456000000000 ] - [ -0.0000735300000000, 0.0000576600000000, 0.0004011400000000 ] - [ -0.0000996700000000, 0.0000362000000000, 0.0002715500000000 ] - [ -0.0002170800000000, -0.0003340100000000, 0.0002304900000000 ] - [ 0.0001819700000000, 0.0004288200000000, 0.0003077300000000 ] - [ -0.0004424900000000, -0.0003098200000000, 0.0005659700000000 ] - [ -0.0013421800000000, 0.0003896900000000, 0.0015572600000000 ] - [ -0.0026327900000000, -0.0043013500000000, 0.0132390800000000 ] - [ -0.0002993500000000, -0.0005408200000000, -0.0002456700000000 ] - [ -0.0003860700000000, 0.0004192000000000, 0.0005922700000000 ] - [ -0.0001789100000000, -0.0000132200000000, -0.0001929400000000 ] - [ 0.0102115500000000, 0.0080210500000000, 0.0028338300000000 ] - [ 0.0002317700000000, 0.0000352300000000, 0.0002206800000000 ] - [ -0.0000724500000000, -0.0003371500000000, 0.0004281600000000 ] - [ 0.0000365300000000, 0.0001815900000000, 0.0011669900000000 ] - [ -0.0000773800000000, -0.0003247100000000, 0.0002561100000000 ] - [ -0.0002516500000000, 0.0003437700000000, 0.0002681700000000 ] - [ -0.0004052300000000, 0.0005536700000000, 0.0014366300000000 ] - [ -0.0002383800000000, 0.0000867800000000, -0.0000169500000000 ] - [ 0.0002395400000000, 0.0020047200000000, 0.0013420200000000 ] - [ 0.0001747400000000, -0.0020945300000000, 0.0006638500000000 ] - [ -0.0002686500000000, 0.0001728500000000, -0.0001765100000000 ] - [ 0.0002224000000000, 0.0000836900000000, -0.0003195600000000 ] - [ 0.0016960900000000, -0.0026989100000000, -0.0006194700000000 ] - [ -0.0003145600000000, 0.0002806500000000, -0.0002542900000000 ] - [ -0.0056139000000000, -0.0076394000000000, -0.0033600800000000 ] - [ -0.0018882900000000, 0.0033880200000000, -0.0050220500000000 ] - [ 0.0001511000000000, 0.0006960600000000, -0.0020832300000000 ] - [ 0.0000960500000000, -0.0001357600000000, -0.0002792900000000 ] - [ 0.0002672600000000, 0.0002703800000000, -0.0004927700000000 ] - [ 0.0002252800000000, -0.0001962100000000, 0.0008359300000000 ] - [ -0.0003628600000000, 0.0000550900000000, 0.0012524800000000 ] - [ 0.0003945500000000, 0.0007239600000000, 0.0004722400000000 ] - [ -0.0002420800000000, 0.0002535200000000, 0.0002818700000000 ] - [ -0.0002130300000000, -0.0002289300000000, 0.0001222800000000 ] - [ 0.0037848300000000, -0.0036196600000000, 0.0010216200000000 ] - [ -0.0013310800000000, 0.0007510700000000, -0.0015488700000000 ] - [ 0.0003350600000000, -0.0009070100000000, 0.0000323800000000 ] - [ 0.0002633400000000, 0.0002517200000000, -0.0000061200000000 ] - [ 0.0020466400000000, 0.0000443900000000, 0.0005373600000000 ] - [ 0.0104101900000000, 0.0198708300000000, 0.0472432700000000 ] - [ 0.0007111400000000, -0.0002395300000000, 0.0007512300000000 ] - [ -0.0009884000000000, 0.0005571400000000, 0.0014091700000000 ] - [ -0.0027507900000000, 0.0008560200000000, 0.0008699700000000 ] - [ -0.0461459900000000, -0.0725387300000000, 0.1718575300000000 ] - [ 0.0009153200000000, 0.0015365500000000, -0.0002963700000000 ] - [ 0.0008063700000000, 0.0000910200000000, -0.0005089700000000 ] - [ -0.0004901200000000, -0.0012543700000000, 0.0000621100000000 ] - [ 0.0003550600000000, 0.0005270800000000, 0.0000564000000000 ] - [ -0.0024677900000000, -0.0075950300000000, 0.0018854100000000 ] - [ -0.0002471300000000, 0.0000079500000000, -0.0001148000000000 ] - [ -0.0024885100000000, 0.0018784100000000, 0.0061517600000000 ] - [ -0.0001139000000000, 0.0000221500000000, 0.0006758200000000 ] - [ 0.0005046600000000, 0.0003810600000000, 0.0004120800000000 ] - [ 0.0007186800000000, -0.0008661600000000, -0.0029807800000000 ] - [ -0.0000522300000000, 0.0002073200000000, -0.0007642800000000 ] - [ -0.0000123200000000, -0.0002347400000000, -0.0006330500000000 ] - [ 0.0002571700000000, -0.0005154600000000, -0.0004108700000000 ] - [ 0.0052959800000000, 0.0069400200000000, -0.0059228700000000 ] - [ 0.0012947600000000, -0.0016504200000000, -0.0078798600000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005382000000000, 0.0009245000000000, 0.0004483800000000 ] - [ -0.0002703500000000, 0.0001408100000000, 0.0002854400000000 ] - [ -0.0007175000000000, -0.0013376500000000, 0.0059085700000000 ] - [ 0.0001290100000000, -0.0000230200000000, 0.0005105100000000 ] - [ 0.0002414300000000, -0.0002524700000000, 0.0002405900000000 ] - [ -0.0002189100000000, 0.0001017100000000, 0.0001824900000000 ] - [ -0.0000800100000000, 0.0000604500000000, -0.0002407900000000 ] - [ -0.0014347800000000, -0.0024378800000000, -0.0009041900000000 ] - [ -0.0000276500000000, -0.0001522000000000, -0.0001066200000000 ] - [ 0.0000399100000000, 0.0001002600000000, -0.0001788900000000 ] - [ 0.0002166400000000, 0.0001003800000000, -0.0052546500000000 ] - [ 0.0003947000000000, 0.0003746300000000, -0.0033926100000000 ] - [ 0.0001589000000000, 0.0004653300000000, 0.0002262700000000 ] - [ -0.0000657300000000, -0.0000285500000000, -0.0001199500000000 ] - [ -0.0001935000000000, -0.0001090900000000, -0.0001498200000000 ] - [ 0.0016781700000000, -0.0007030600000000, -0.0001708800000000 ] - [ 0.0001794000000000, -0.0000618800000000, 0.0004085000000000 ] - [ -0.0000346200000000, -0.0004472400000000, 0.0001754600000000 ] - [ -0.0002105700000000, 0.0000070900000000, 0.0003306700000000 ] - [ -0.0038432500000000, -0.0012858400000000, 0.0012173800000000 ] - [ -0.0020674800000000, 0.0143312700000000, -0.0026064100000000 ] - [ -0.0001304900000000, -0.0001118800000000, 0.0000707100000000 ] - [ 0.0002712200000000, 0.0001221800000000, -0.0000006100000000 ] - [ 0.0002084300000000, -0.0023117900000000, 0.0020870700000000 ] - [ -0.0001954500000000, -0.0003993500000000, 0.0001253900000000 ] - [ 0.0000500300000000, 0.0002424600000000, 0.0001016000000000 ] - [ 0.0009511700000000, -0.0000828300000000, -0.0022310700000000 ] - [ 0.0006154500000000, 0.0012221800000000, -0.0005588200000000 ] - [ -0.0001065000000000, 0.0000632500000000, -0.0003218800000000 ] - [ 0.0001758400000000, 0.0002712400000000, -0.0003666800000000 ] - [ 0.0004477700000000, 0.0008391600000000, -0.0248987000000000 ] - [ -0.0007975800000000, 0.0000921700000000, -0.0001760700000000 ] - [ -0.0015008900000000, 0.0008643700000000, 0.0000306900000000 ] - [ -0.0456228000000000, -0.0728305500000000, 0.2725209600000000 ] - [ -0.0002282000000000, 0.0005093800000000, 0.0011710300000000 ] - [ -0.0000296100000000, 0.0000590500000000, 0.0011693000000000 ] - [ 0.0005834500000000, 0.0017249900000000, -0.0008686300000000 ] - [ -0.0001651200000000, -0.0021506500000000, -0.0004559800000000 ] - [ 0.0000917100000000, -0.0001198400000000, -0.0002517700000000 ] - [ -0.0003110100000000, 0.0008923700000000, -0.0043195600000000 ] - [ 0.0011120500000000, 0.0001311000000000, -0.0043701800000000 ] - [ 0.0000018700000000, -0.0001222000000000, -0.0004624200000000 ] - [ 0.0000952200000000, -0.0000059200000000, 0.0001732600000000 ] - [ -0.0025367300000000, -0.0011404200000000, 0.0006801100000000 ] - [ -0.0000580100000000, 0.0002614300000000, 0.0000476100000000 ] - [ 0.0033385000000000, 0.0026234100000000, -0.0025766200000000 ] - [ 0.0023529800000000, -0.0087224400000000, -0.0077083300000000 ] - [ 0.0001382200000000, 0.0001241600000000, -0.0002221900000000 ] - [ 0.0006435700000000, -0.0002502400000000, 0.0012531100000000 ] - [ -0.0001965200000000, 0.0000108900000000, 0.0004626400000000 ] - [ -0.0001296200000000, 0.0001615000000000, 0.0001289900000000 ] - [ -0.0003058500000000, 0.0004030800000000, 0.0012048600000000 ] - [ 0.0123703300000000, 0.0048081400000000, -0.0006632200000000 ] - [ -0.0007309900000000, -0.0001940200000000, 0.0000158700000000 ] - [ 0.0000063900000000, -0.0002565000000000, 0.0002300500000000 ] - [ -0.0000601200000000, -0.0012110800000000, 0.0020485800000000 ] - [ 0.0002429400000000, 0.0003950300000000, 0.0002568000000000 ] - [ -0.0001704300000000, -0.0002274800000000, -0.0002178600000000 ] - [ -0.0003714100000000, -0.0013922700000000, -0.0014057200000000 ] - [ 0.0004068900000000, 0.0003226200000000, -0.0002387100000000 ] - [ -0.0003104900000000, 0.0022129800000000, 0.0019212300000000 ] - [ 0.0001888900000000, 0.0002312900000000, 0.0000704000000000 ] - [ -0.0000981700000000, 0.0001108200000000, 0.0005721400000000 ] - [ -0.0000427000000000, -0.0001643900000000, 0.0006986900000000 ] - [ 0.0010079300000000, 0.0003824600000000, 0.0001775100000000 ] - [ 0.0002162100000000, 0.0002102700000000, 0.0005981800000000 ] - [ -0.0000148900000000, -0.0006530400000000, -0.0013151700000000 ] - [ 0.0000413600000000, -0.0000279400000000, -0.0002738600000000 ] - [ 0.0000886400000000, -0.0000821300000000, -0.0001423100000000 ] - [ 0.0001265400000000, -0.0001069700000000, -0.0005810400000000 ] - [ 0.0002502900000000, -0.0002947600000000, -0.0006639000000000 ] - [ 0.0001008700000000, 0.0006039500000000, -0.0009201300000000 ] - [ 0.0013892000000000, -0.0006743700000000, -0.0010200900000000 ] - [ 0.0023604700000000, 0.0043881300000000, -0.0125957100000000 ] - [ 0.0005446200000000, 0.0001855600000000, 0.0000404500000000 ] - [ 0.0006106200000000, -0.0002435000000000, -0.0000562200000000 ] - [ -0.0002136100000000, 0.0000241600000000, -0.0000082500000000 ] - [ -0.0100220000000000, -0.0076215900000000, -0.0030294700000000 ] - [ 0.0001084700000000, -0.0004878200000000, -0.0002280100000000 ] - [ -0.0004988700000000, 0.0002842700000000, -0.0004399100000000 ] - [ 0.0001882600000000, 0.0003384200000000, -0.0011717000000000 ] - [ -0.0000898300000000, -0.0000647900000000, -0.0002351400000000 ] - [ 0.0000153500000000, -0.0000563900000000, -0.0002513200000000 ] - [ 0.0007603200000000, -0.0004951900000000, -0.0014240800000000 ] - [ 0.0001142600000000, 0.0001484600000000, -0.0002490700000000 ] - [ 0.0000372100000000, -0.0020131300000000, -0.0016075900000000 ] - [ -0.0003045100000000, 0.0017939200000000, -0.0009368100000000 ] - [ 0.0001624200000000, -0.0000614800000000, 0.0002942300000000 ] - [ -0.0000678000000000, -0.0000475400000000, 0.0004352400000000 ] - [ -0.0017091100000000, 0.0025854200000000, 0.0007386600000000 ] - [ -0.0000093700000000, -0.0000581400000000, 0.0003400900000000 ] - [ 0.0056219400000000, 0.0073255400000000, 0.0034303600000000 ] - [ 0.0022442800000000, -0.0032398400000000, 0.0051178300000000 ] - [ -0.0003297000000000, -0.0005444600000000, 0.0021449900000000 ] - [ -0.0001403300000000, -0.0000906400000000, 0.0003374600000000 ] - [ -0.0000315600000000, -0.0001811800000000, 0.0005451500000000 ] - [ -0.0005428000000000, 0.0003763800000000, -0.0007752200000000 ] - [ 0.0003408100000000, -0.0004238400000000, -0.0011927900000000 ] - [ -0.0000861700000000, -0.0005642200000000, -0.0004133800000000 ] - [ -0.0000230600000000, -0.0000903000000000, -0.0002138400000000 ] - [ 0.0002043400000000, -0.0000789200000000, -0.0000534800000000 ] - [ -0.0034988100000000, 0.0037912300000000, -0.0009677700000000 ] - [ 0.0009937200000000, -0.0005670400000000, 0.0016744000000000 ] - [ -0.0003507800000000, 0.0005243800000000, 0.0000842900000000 ] - [ 0.0000601200000000, -0.0000713400000000, 0.0001245500000000 ] - [ -0.0022812700000000, 0.0001130600000000, -0.0005192900000000 ] - [ -0.0094324200000000, -0.0184677300000000, -0.0439972900000000 ] - [ -0.0004478800000000, 0.0003781100000000, -0.0007407600000000 ] - [ 0.0013654900000000, -0.0005294100000000, -0.0016374300000000 ] - [ 0.0025290900000000, -0.0005510200000000, -0.0010967700000000 ] - [ 0.0493853800000000, 0.0775464400000000, -0.1800388800000000 ] - [ -0.0013180300000000, -0.0018221200000000, 0.0004916500000000 ] - [ -0.0003785600000000, -0.0002774000000000, 0.0007132500000000 ] - [ 0.0004453700000000, 0.0017656600000000, 0.0001364600000000 ] - [ 0.0000361600000000, -0.0004981000000000, -0.0002751200000000 ] - [ 0.0022796300000000, 0.0079383900000000, -0.0021098000000000 ] - [ 0.0000828000000000, -0.0003542900000000, -0.0001150800000000 ] - [ 0.0021166600000000, -0.0021584500000000, -0.0058846500000000 ] - [ 0.0005063900000000, -0.0002253700000000, -0.0004157500000000 ] - [ -0.0005187100000000, 0.0000915500000000, -0.0001532300000000 ] - [ -0.0003427600000000, 0.0008917300000000, 0.0028249400000000 ] - [ -0.0001701800000000, 0.0001017700000000, 0.0006043400000000 ] - [ -0.0001597400000000, -0.0001149000000000, 0.0004646600000000 ] - [ -0.0006539300000000, 0.0002620400000000, 0.0006194900000000 ] - [ -0.0049001100000000, -0.0071289600000000, 0.0061544600000000 ] - [ -0.0013282600000000, 0.0021440100000000, 0.0081221700000000 ]- atom: 37 displacement: [ 0.0100000000000000, -0.0000000000071070, 0.0000000000000000 ] forces: - [ -0.0004535000000000, 0.0004576900000000, 0.0000782400000000 ] - [ -0.0002876800000000, -0.0005058600000000, -0.0000956000000000 ] - [ 0.0011476100000000, -0.0010379500000000, -0.0000239400000000 ] - [ -0.0012843900000000, -0.0004164500000000, -0.0013901300000000 ] - [ 0.0118888600000000, -0.0091546800000000, 0.0001682100000000 ] - [ 0.0000001100000000, 0.0002549800000000, 0.0001095200000000 ] - [ -0.0004394100000000, -0.0005365300000000, 0.0003572400000000 ] - [ -0.0002870900000000, 0.0027088300000000, -0.0030242500000000 ] - [ -0.0013371100000000, -0.0000493600000000, -0.0001292100000000 ] - [ -0.0013759000000000, -0.0035301500000000, -0.0003269800000000 ] - [ -0.0003413800000000, -0.0004088600000000, 0.0000011000000000 ] - [ 0.0007216300000000, -0.0003106400000000, 0.0010889800000000 ] - [ 0.0025486900000000, 0.0013361500000000, 0.0023877900000000 ] - [ -0.0005456200000000, 0.0001432800000000, -0.0001737300000000 ] - [ 0.0005759500000000, -0.0000122600000000, 0.0000614900000000 ] - [ 0.0001891200000000, 0.0003752900000000, 0.0000128700000000 ] - [ -0.0006750300000000, 0.0000991600000000, 0.0003319600000000 ] - [ -0.0008535500000000, -0.0000902800000000, 0.0000973500000000 ] - [ 0.0027039200000000, 0.0022605000000000, -0.0010707800000000 ] - [ 0.0002457900000000, 0.0006232700000000, 0.0000275300000000 ] - [ -0.0031029000000000, 0.0056288200000000, -0.0014457200000000 ] - [ 0.0022473100000000, -0.0032681900000000, -0.0050215300000000 ] - [ 0.0001450400000000, -0.0001748000000000, -0.0001890200000000 ] - [ -0.0000939900000000, -0.0002626600000000, -0.0000818100000000 ] - [ 0.0034648100000000, 0.0010471100000000, 0.0006966300000000 ] - [ 0.0014225200000000, 0.0005470300000000, 0.0003749500000000 ] - [ -0.0000141400000000, -0.0024508600000000, -0.0005233800000000 ] - [ 0.0163055600000000, -0.0158962900000000, -0.0019526800000000 ] - [ -0.0024117400000000, 0.0018546900000000, -0.0001848900000000 ] - [ 0.0021505400000000, 0.0004279500000000, 0.0001898800000000 ] - [ -0.0002115800000000, 0.0009522500000000, 0.0002773100000000 ] - [ -0.0002375800000000, 0.0009629700000000, -0.0002684900000000 ] - [ 0.0120111900000000, 0.0038376700000000, -0.0041482100000000 ] - [ -0.0006035100000000, 0.0010559300000000, -0.0006601200000000 ] - [ -0.0000746700000000, 0.0009413300000000, 0.0000441700000000 ] - [ 0.0009583400000000, 0.0002983200000000, -0.0020084500000000 ] - [ -0.3252265000000000, -0.0314117000000000, 0.0019758200000000 ] - [ 0.0013526700000000, 0.0008426000000000, -0.0001559800000000 ] - [ 0.0014731700000000, -0.0008115300000000, 0.0000417100000000 ] - [ -0.0017747100000000, 0.0047219400000000, 0.0059443800000000 ] - [ 0.0004344600000000, 0.0005594800000000, -0.0000698400000000 ] - [ 0.0008788800000000, 0.0007715400000000, 0.0004791200000000 ] - [ -0.0005743000000000, 0.0005283100000000, 0.0003416900000000 ] - [ 0.0006896500000000, -0.0004880500000000, -0.0000651500000000 ] - [ 0.0009798500000000, -0.0004654400000000, 0.0001262800000000 ] - [ 0.0003752000000000, 0.0002607200000000, -0.0000823000000000 ] - [ -0.0007112300000000, 0.0008351000000000, 0.0013820000000000 ] - [ 0.0005961600000000, 0.0009038300000000, -0.0005370300000000 ] - [ 0.0000280000000000, -0.0004020200000000, 0.0002805100000000 ] - [ -0.0024011100000000, -0.0011730300000000, 0.0001659100000000 ] - [ 0.0022648900000000, -0.0011588100000000, -0.0009874700000000 ] - [ 0.0011156700000000, -0.0010094000000000, -0.0001305700000000 ] - [ -0.0023593400000000, -0.0006991600000000, 0.0003474600000000 ] - [ -0.0001799400000000, 0.0017653100000000, -0.0000770400000000 ] - [ 0.0011690900000000, 0.0000198300000000, 0.0001812500000000 ] - [ -0.0005834600000000, -0.0015174300000000, 0.0012305200000000 ] - [ 0.0011396800000000, 0.0011080900000000, 0.0004696300000000 ] - [ 0.0007994100000000, -0.0000400100000000, -0.0001486200000000 ] - [ -0.0005976700000000, -0.0010551000000000, -0.0017822600000000 ] - [ 0.0009972800000000, 0.0012319100000000, -0.0017747800000000 ] - [ 0.0008536800000000, 0.0003541800000000, -0.0000377200000000 ] - [ 0.0005994000000000, -0.0002818000000000, -0.0000448800000000 ] - [ -0.0041270300000000, -0.0006534700000000, -0.0021180500000000 ] - [ 0.0012808500000000, -0.0001268400000000, 0.0003804100000000 ] - [ 0.0019754700000000, -0.0008051400000000, 0.0007285200000000 ] - [ 0.0105584100000000, 0.0080708100000000, 0.0123428600000000 ] - [ -0.0002203500000000, -0.0010924800000000, 0.0000114700000000 ] - [ 0.0043895700000000, -0.0022097200000000, 0.0025196100000000 ] - [ -0.0004578900000000, -0.0001207900000000, 0.0000999600000000 ] - [ 0.0030544400000000, -0.0013294800000000, -0.0000851900000000 ] - [ 0.0016702700000000, -0.0002920800000000, -0.0005459200000000 ] - [ 0.0105341400000000, 0.0099961800000000, -0.0106101300000000 ] - [ 0.0004565300000000, -0.0000224600000000, 0.0013899300000000 ] - [ -0.0000041500000000, 0.0009265100000000, 0.0002901700000000 ] - [ -0.0006294200000000, 0.0010756700000000, -0.0002326400000000 ] - [ 0.0001407300000000, 0.0008942900000000, 0.0003492900000000 ] - [ 0.0014901800000000, -0.0000576300000000, -0.0002078000000000 ] - [ -0.0008485800000000, -0.0012402800000000, -0.0001630400000000 ] - [ -0.0015627800000000, -0.0012247000000000, -0.0004086900000000 ] - [ 0.0012381100000000, -0.0012298400000000, 0.0010374400000000 ] - [ 0.0003528900000000, -0.0001657100000000, -0.0001649300000000 ] - [ -0.0027323200000000, -0.0012498000000000, 0.0002682400000000 ] - [ 0.0011803400000000, -0.0005951000000000, -0.0002265000000000 ] - [ 0.0001800100000000, -0.0004587200000000, 0.0002436800000000 ] - [ 0.0008502700000000, 0.0002962000000000, -0.0002162200000000 ] - [ -0.0022363100000000, -0.0004847400000000, 0.0020758800000000 ] - [ 0.0004991600000000, 0.0001819500000000, -0.0001928500000000 ] - [ -0.0001016100000000, -0.0000532700000000, 0.0000520500000000 ] - [ -0.0004551300000000, -0.0002726600000000, -0.0004958700000000 ] - [ 0.0000887500000000, -0.0004969900000000, 0.0000136800000000 ] - [ -0.0017763900000000, -0.0013123600000000, -0.0006433900000000 ] - [ -0.0004451300000000, -0.0013822500000000, -0.0000028700000000 ] - [ 0.0121169300000000, 0.0142158000000000, -0.0008433400000000 ] - [ -0.0014777400000000, 0.0054378600000000, 0.0064313900000000 ] - [ -0.0021400000000000, -0.0001563900000000, 0.0002956200000000 ] - [ -0.0029193700000000, -0.0070207100000000, 0.0008239000000000 ] - [ 0.0051066700000000, 0.0025983400000000, -0.0060056300000000 ] - [ -0.0012249700000000, -0.0000007100000000, -0.0004794900000000 ] - [ -0.0015257900000000, -0.0002090900000000, -0.0002510400000000 ] - [ -0.0022505900000000, 0.0013014100000000, 0.0004160100000000 ] - [ 0.0017447200000000, -0.0001100800000000, -0.0002039700000000 ] - [ 0.0004958300000000, 0.0005923300000000, -0.0001805600000000 ] - [ -0.0007189600000000, 0.0010629000000000, 0.0002416700000000 ] - [ 0.0014327300000000, 0.0018596600000000, -0.0022735000000000 ] - [ -0.0000906400000000, 0.0001043100000000, 0.0001698600000000 ] - [ -0.0002914700000000, -0.0009799900000000, -0.0000697300000000 ] - [ 0.0014668100000000, -0.0008419300000000, 0.0001827500000000 ] - [ -0.0014670700000000, -0.0000974100000000, 0.0004383200000000 ] - [ -0.0056830900000000, -0.0004347300000000, 0.0072819500000000 ] - [ -0.0004981600000000, -0.0017624300000000, 0.0000594300000000 ] - [ 0.0040959300000000, -0.0031014700000000, -0.0008439800000000 ] - [ 0.2539023100000000, 0.0158652500000000, -0.0004113400000000 ] - [ -0.0037830100000000, 0.0008441800000000, -0.0009408200000000 ] - [ -0.0044101300000000, 0.0000670300000000, 0.0002730700000000 ] - [ 0.0012265100000000, -0.0021554300000000, 0.0006612300000000 ] - [ -0.0003090000000000, 0.0028245000000000, -0.0000223000000000 ] - [ -0.0024906500000000, -0.0001128600000000, -0.0000850000000000 ] - [ -0.0013018300000000, 0.0009395100000000, -0.0000160300000000 ] - [ 0.0044553400000000, 0.0018307000000000, 0.0054797700000000 ] - [ -0.0000786000000000, 0.0006294400000000, 0.0001135600000000 ] - [ -0.0003010600000000, 0.0021138900000000, -0.0002175100000000 ] - [ -0.0050584800000000, 0.0009559400000000, -0.0005906200000000 ] - [ 0.0039156100000000, 0.0001188900000000, -0.0002167700000000 ] - [ -0.0014159400000000, -0.0014657000000000, 0.0001013800000000 ] - [ -0.0007212500000000, -0.0012336500000000, 0.0001267300000000 ] - [ 0.0004202800000000, 0.0006587700000000, -0.0055930500000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000071070, 0.0000000000000000 ] forces: - [ 0.0004210700000000, -0.0004058800000000, 0.0002150600000000 ] - [ 0.0000186100000000, 0.0006772900000000, -0.0001276700000000 ] - [ -0.0012309100000000, 0.0006921200000000, -0.0002030300000000 ] - [ 0.0015697000000000, 0.0004795000000000, 0.0011610900000000 ] - [ -0.0122564300000000, 0.0098146200000000, 0.0001111100000000 ] - [ 0.0000689900000000, -0.0001620600000000, 0.0001912600000000 ] - [ 0.0004335900000000, 0.0006597700000000, -0.0003562600000000 ] - [ 0.0000790200000000, -0.0025442100000000, 0.0030436300000000 ] - [ 0.0012291100000000, -0.0002212300000000, 0.0001643900000000 ] - [ 0.0016037800000000, 0.0035238700000000, 0.0003626000000000 ] - [ 0.0003021200000000, 0.0003814900000000, -0.0000033300000000 ] - [ -0.0006141200000000, 0.0003411800000000, -0.0010779500000000 ] - [ -0.0025381500000000, -0.0011873400000000, -0.0024284500000000 ] - [ 0.0003048800000000, 0.0000303000000000, -0.0000049900000000 ] - [ -0.0006793800000000, -0.0002898500000000, -0.0002397700000000 ] - [ 0.0000835700000000, -0.0003450900000000, -0.0001915600000000 ] - [ 0.0006390800000000, -0.0001374000000000, -0.0003859300000000 ] - [ 0.0009782600000000, 0.0001269600000000, -0.0001409400000000 ] - [ -0.0026291800000000, -0.0022520200000000, 0.0011582300000000 ] - [ -0.0002834400000000, -0.0005664600000000, 0.0000467600000000 ] - [ 0.0030533900000000, -0.0055903400000000, 0.0014664200000000 ] - [ -0.0023672900000000, 0.0028444700000000, 0.0046942200000000 ] - [ 0.0003007800000000, 0.0002938900000000, -0.0001622500000000 ] - [ -0.0002395000000000, 0.0005813500000000, -0.0002679400000000 ] - [ -0.0033846700000000, -0.0013335500000000, -0.0001327300000000 ] - [ -0.0017014700000000, -0.0004535600000000, 0.0001956000000000 ] - [ 0.0002525100000000, 0.0020683200000000, 0.0002895300000000 ] - [ -0.0156726600000000, 0.0156489000000000, 0.0024767000000000 ] - [ 0.0019960900000000, -0.0018185700000000, -0.0000390800000000 ] - [ -0.0019545400000000, -0.0000340200000000, -0.0004190300000000 ] - [ 0.0005672100000000, -0.0013737400000000, -0.0003435400000000 ] - [ -0.0003308200000000, -0.0010331500000000, 0.0001920100000000 ] - [ -0.0118738300000000, -0.0033429400000000, 0.0040755700000000 ] - [ 0.0004285800000000, -0.0014367600000000, 0.0006317300000000 ] - [ -0.0001698300000000, -0.0006421700000000, -0.0000659800000000 ] - [ -0.0005833000000000, -0.0002373200000000, 0.0019829300000000 ] - [ 0.3093709200000000, 0.0299597900000000, -0.0021180300000000 ] - [ -0.0010871100000000, -0.0008438600000000, -0.0001103600000000 ] - [ -0.0015872300000000, 0.0005170100000000, -0.0003081300000000 ] - [ 0.0017104800000000, -0.0045694400000000, -0.0057816500000000 ] - [ -0.0002719800000000, -0.0005327300000000, 0.0001488400000000 ] - [ -0.0009071700000000, -0.0008773900000000, -0.0003890000000000 ] - [ 0.0006161200000000, -0.0005114700000000, -0.0002714400000000 ] - [ -0.0007198400000000, 0.0005138000000000, 0.0001212900000000 ] - [ -0.0009840200000000, 0.0004168600000000, -0.0000673500000000 ] - [ -0.0004652500000000, -0.0007035400000000, -0.0002538200000000 ] - [ 0.0011458700000000, -0.0006901200000000, -0.0017078400000000 ] - [ -0.0009354900000000, -0.0005988700000000, 0.0001944100000000 ] - [ 0.0000354000000000, 0.0001145300000000, 0.0003034600000000 ] - [ 0.0021164000000000, 0.0012524500000000, 0.0004264000000000 ] - [ -0.0020095200000000, 0.0007973300000000, 0.0007324100000000 ] - [ -0.0008914600000000, 0.0011941500000000, 0.0007129700000000 ] - [ 0.0019487500000000, 0.0007107300000000, -0.0005971100000000 ] - [ 0.0003587000000000, -0.0013608800000000, -0.0001800800000000 ] - [ -0.0008335800000000, -0.0004868500000000, -0.0002379100000000 ] - [ -0.0000045600000000, 0.0014709600000000, -0.0012878400000000 ] - [ -0.0008927900000000, -0.0005815100000000, -0.0005158100000000 ] - [ -0.0009678400000000, -0.0003668500000000, 0.0002043800000000 ] - [ 0.0003403700000000, 0.0013491600000000, 0.0018262300000000 ] - [ -0.0006200400000000, -0.0011563900000000, 0.0018064400000000 ] - [ -0.0009654500000000, -0.0001160700000000, -0.0001905600000000 ] - [ -0.0003291400000000, 0.0002542100000000, -0.0001846100000000 ] - [ 0.0039920100000000, 0.0003430100000000, 0.0018482800000000 ] - [ -0.0013825600000000, 0.0002324200000000, -0.0003074700000000 ] - [ -0.0018149800000000, 0.0008413700000000, -0.0006534300000000 ] - [ -0.0102818700000000, -0.0079969400000000, -0.0119147600000000 ] - [ 0.0002676000000000, 0.0011031100000000, 0.0001256600000000 ] - [ -0.0044277000000000, 0.0022526900000000, -0.0024009900000000 ] - [ 0.0004450600000000, 0.0000661800000000, 0.0000365900000000 ] - [ -0.0031265900000000, 0.0008794200000000, -0.0002700300000000 ] - [ -0.0012309600000000, 0.0004313900000000, 0.0001903600000000 ] - [ -0.0105659900000000, -0.0094894300000000, 0.0099517200000000 ] - [ -0.0003851600000000, -0.0002688500000000, -0.0008455300000000 ] - [ -0.0002639500000000, -0.0008156500000000, 0.0002578800000000 ] - [ 0.0008704700000000, -0.0014187500000000, 0.0000286400000000 ] - [ 0.0000872300000000, -0.0007180600000000, 0.0001878100000000 ] - [ -0.0018715400000000, 0.0000665500000000, 0.0000072900000000 ] - [ 0.0010175100000000, 0.0016243100000000, -0.0000410700000000 ] - [ 0.0018951100000000, 0.0007665200000000, 0.0004042500000000 ] - [ -0.0018118300000000, 0.0011797800000000, -0.0010513800000000 ] - [ -0.0001289100000000, 0.0006826400000000, 0.0001639500000000 ] - [ 0.0025482400000000, 0.0007994500000000, -0.0002345700000000 ] - [ -0.0014164400000000, 0.0008825900000000, 0.0002458000000000 ] - [ 0.0001715000000000, 0.0005153900000000, -0.0002315600000000 ] - [ -0.0009694100000000, -0.0000624900000000, -0.0000496200000000 ] - [ 0.0025213200000000, 0.0004594700000000, -0.0023018400000000 ] - [ -0.0006323700000000, -0.0004711000000000, -0.0000752000000000 ] - [ -0.0000048600000000, 0.0001628800000000, 0.0000666900000000 ] - [ 0.0006175100000000, 0.0003014500000000, 0.0006151400000000 ] - [ -0.0001070700000000, 0.0003862800000000, 0.0001141000000000 ] - [ 0.0014451500000000, 0.0015335000000000, 0.0007303300000000 ] - [ 0.0003838100000000, 0.0009689400000000, 0.0000880000000000 ] - [ -0.0118473400000000, -0.0147079100000000, 0.0009432900000000 ] - [ 0.0012953200000000, -0.0052455800000000, -0.0063099200000000 ] - [ 0.0020890300000000, -0.0000708500000000, -0.0002358200000000 ] - [ 0.0031224000000000, 0.0070378900000000, -0.0007731100000000 ] - [ -0.0053540000000000, -0.0023831500000000, 0.0060297200000000 ] - [ 0.0011966400000000, -0.0003647600000000, 0.0005372100000000 ] - [ 0.0018291200000000, 0.0003746900000000, 0.0003115100000000 ] - [ 0.0019805400000000, -0.0011334400000000, -0.0003465000000000 ] - [ -0.0017387300000000, -0.0001923400000000, 0.0002818700000000 ] - [ -0.0002060500000000, -0.0004370100000000, 0.0002443700000000 ] - [ 0.0003876900000000, -0.0008836000000000, -0.0001224800000000 ] - [ -0.0014625200000000, -0.0022263400000000, 0.0023905900000000 ] - [ 0.0004126300000000, 0.0000780800000000, -0.0000529100000000 ] - [ 0.0000507700000000, 0.0011317800000000, 0.0000828100000000 ] - [ -0.0014681200000000, 0.0005522300000000, -0.0001646300000000 ] - [ 0.0017186300000000, 0.0002356900000000, -0.0004332600000000 ] - [ 0.0060340800000000, 0.0004687700000000, -0.0074964200000000 ] - [ 0.0002778300000000, 0.0020588900000000, -0.0002813200000000 ] - [ -0.0042145500000000, 0.0026946600000000, 0.0006053500000000 ] - [ -0.2390247500000000, -0.0145067600000000, 0.0004490300000000 ] - [ 0.0041919000000000, -0.0010212400000000, 0.0011418500000000 ] - [ 0.0043379600000000, 0.0004234800000000, -0.0000686400000000 ] - [ -0.0008303200000000, 0.0021629400000000, -0.0008817000000000 ] - [ 0.0000986900000000, -0.0025086700000000, -0.0001990500000000 ] - [ 0.0023132200000000, -0.0002313800000000, -0.0001441100000000 ] - [ 0.0008969900000000, -0.0011897000000000, 0.0002672600000000 ] - [ -0.0040898100000000, -0.0020014000000000, -0.0052118800000000 ] - [ 0.0000622500000000, -0.0001511000000000, 0.0001458400000000 ] - [ 0.0006906400000000, -0.0020752300000000, 0.0000562600000000 ] - [ 0.0048298500000000, -0.0006455800000000, 0.0004315100000000 ] - [ -0.0040520300000000, -0.0004590500000000, 0.0000258500000000 ] - [ 0.0010105400000000, 0.0012095200000000, 0.0001068900000000 ] - [ 0.0011095000000000, 0.0010190300000000, 0.0000890700000000 ] - [ -0.0004796400000000, -0.0001620000000000, 0.0057527400000000 ]- atom: 37 displacement: [ -0.0049999999943570, 0.0086602540411024, 0.0000000000000000 ] forces: - [ 0.0002539800000000, -0.0005417900000000, 0.0001721200000000 ] - [ -0.0004887100000000, -0.0002316000000000, -0.0000917800000000 ] - [ -0.0000986800000000, -0.0009106600000000, -0.0003266300000000 ] - [ 0.0001663900000000, 0.0006191100000000, 0.0001339900000000 ] - [ -0.0141763600000000, 0.0202827200000000, 0.0001492700000000 ] - [ 0.0003675200000000, -0.0007535700000000, -0.0000011800000000 ] - [ 0.0000718300000000, 0.0000653000000000, -0.0000418300000000 ] - [ 0.0006985700000000, -0.0013971200000000, 0.0029227000000000 ] - [ 0.0003967100000000, 0.0000543200000000, 0.0001146100000000 ] - [ 0.0001222000000000, 0.0005484700000000, 0.0000592300000000 ] - [ -0.0002791300000000, -0.0004140600000000, -0.0000019700000000 ] - [ -0.0005421500000000, 0.0013017000000000, 0.0004498900000000 ] - [ -0.0005652900000000, 0.0009244900000000, -0.0003233100000000 ] - [ 0.0003424700000000, 0.0001939200000000, -0.0000033600000000 ] - [ -0.0004209100000000, -0.0006050500000000, -0.0000125600000000 ] - [ 0.0003177000000000, -0.0003776400000000, -0.0001464000000000 ] - [ 0.0004967200000000, -0.0000643200000000, -0.0003658300000000 ] - [ 0.0001458400000000, -0.0000055400000000, -0.0000354700000000 ] - [ -0.0003941800000000, -0.0005202600000000, 0.0001096400000000 ] - [ 0.0007209800000000, 0.0002665700000000, -0.0000481300000000 ] - [ 0.0001735600000000, 0.0059972900000000, -0.0030985400000000 ] - [ -0.0036503900000000, 0.0011960500000000, 0.0039872300000000 ] - [ -0.0001297600000000, 0.0012442200000000, 0.0004556600000000 ] - [ -0.0002690800000000, 0.0009871200000000, -0.0003749400000000 ] - [ -0.0001266300000000, -0.0003492800000000, 0.0003116200000000 ] - [ -0.0011766400000000, -0.0005702600000000, 0.0002859800000000 ] - [ -0.0006437000000000, 0.0020911700000000, 0.0004025000000000 ] - [ -0.0228415900000000, 0.0085237900000000, 0.0022652000000000 ] - [ 0.0018510800000000, 0.0000891900000000, -0.0006936600000000 ] - [ -0.0012602800000000, -0.0007216700000000, -0.0001886400000000 ] - [ 0.0005745500000000, 0.0010310900000000, 0.0004790600000000 ] - [ -0.0001348800000000, 0.0002587500000000, -0.0000415800000000 ] - [ -0.0010201500000000, -0.0010227100000000, 0.0004101300000000 ] - [ 0.0000609600000000, 0.0012520600000000, -0.0010826600000000 ] - [ 0.0000394500000000, 0.0003313200000000, 0.0000867800000000 ] - [ 0.0002891000000000, -0.0006019100000000, 0.0002813100000000 ] - [ 0.1321109000000000, -0.1004271200000000, -0.0016143500000000 ] - [ -0.0000524200000000, 0.0003152300000000, -0.0001297700000000 ] - [ -0.0011008700000000, 0.0006627500000000, -0.0002440400000000 ] - [ 0.0024874200000000, 0.0021096200000000, 0.0065947500000000 ] - [ 0.0004158500000000, 0.0002832000000000, 0.0000839500000000 ] - [ -0.0001215400000000, -0.0001195000000000, 0.0000927100000000 ] - [ 0.0003752300000000, -0.0003477300000000, 0.0000173600000000 ] - [ -0.0006875100000000, 0.0002209700000000, 0.0002043800000000 ] - [ -0.0001702400000000, -0.0001589700000000, -0.0000105200000000 ] - [ 0.0003126900000000, -0.0000110200000000, -0.0000968000000000 ] - [ 0.0006058900000000, -0.0010551300000000, 0.0004035800000000 ] - [ -0.0002174700000000, 0.0001271900000000, -0.0001267500000000 ] - [ -0.0006873600000000, 0.0003562400000000, 0.0002331600000000 ] - [ 0.0005551500000000, 0.0004063700000000, 0.0011920900000000 ] - [ -0.0003711000000000, -0.0009424900000000, -0.0000214100000000 ] - [ -0.0007314100000000, 0.0010512500000000, 0.0005961800000000 ] - [ -0.0006658500000000, 0.0014988700000000, -0.0005003700000000 ] - [ 0.0011213200000000, 0.0008174300000000, 0.0001148100000000 ] - [ -0.0002991700000000, -0.0005564500000000, -0.0002567700000000 ] - [ -0.0001469300000000, -0.0005253400000000, -0.0004036500000000 ] - [ 0.0002527000000000, 0.0001394800000000, -0.0001782900000000 ] - [ -0.0005156900000000, -0.0004642700000000, 0.0000903400000000 ] - [ -0.0002021400000000, 0.0001840000000000, 0.0015884300000000 ] - [ 0.0003612400000000, -0.0001524600000000, 0.0001282300000000 ] - [ -0.0003604600000000, 0.0005116000000000, -0.0001628800000000 ] - [ -0.0001448000000000, 0.0008038400000000, -0.0001399500000000 ] - [ 0.0015233400000000, -0.0019880700000000, 0.0015069900000000 ] - [ -0.0002824000000000, 0.0000083000000000, -0.0000188700000000 ] - [ -0.0016754700000000, 0.0005784000000000, -0.0007130400000000 ] - [ 0.0039369900000000, -0.0066878800000000, -0.0005990000000000 ] - [ 0.0000368500000000, 0.0011552600000000, 0.0001958200000000 ] - [ -0.0043747400000000, 0.0007518300000000, -0.0020703600000000 ] - [ -0.0003634600000000, 0.0023458500000000, -0.0011681200000000 ] - [ -0.0028945300000000, 0.0006206100000000, -0.0001341400000000 ] - [ -0.0001126600000000, 0.0000578900000000, -0.0000774500000000 ] - [ 0.0037687300000000, -0.0064861500000000, 0.0007330200000000 ] - [ 0.0010065900000000, -0.0012832400000000, 0.0005555400000000 ] - [ 0.0002042600000000, 0.0007986600000000, 0.0003430400000000 ] - [ 0.0006454300000000, -0.0002580300000000, -0.0001562700000000 ] - [ 0.0002051800000000, 0.0003081200000000, 0.0002044000000000 ] - [ -0.0006847700000000, -0.0002841000000000, -0.0001114200000000 ] - [ -0.0000412200000000, 0.0005610300000000, -0.0000649000000000 ] - [ 0.0007388600000000, 0.0004195100000000, -0.0010657400000000 ] - [ -0.0015801200000000, 0.0008707000000000, -0.0007961500000000 ] - [ -0.0007654100000000, 0.0008863400000000, 0.0003704300000000 ] - [ 0.0017112600000000, 0.0085929200000000, -0.0019188500000000 ] - [ -0.0012343700000000, 0.0005137000000000, 0.0002153600000000 ] - [ -0.0004007400000000, 0.0007774900000000, -0.0000503800000000 ] - [ -0.0003116800000000, 0.0005413800000000, -0.0000890500000000 ] - [ 0.0009429900000000, -0.0033134800000000, -0.0006019700000000 ] - [ -0.0002535400000000, 0.0002816200000000, -0.0001090700000000 ] - [ -0.0002888300000000, 0.0006849600000000, -0.0000647300000000 ] - [ 0.0000757800000000, -0.0003460400000000, 0.0009381400000000 ] - [ -0.0001432600000000, 0.0005206800000000, 0.0000730400000000 ] - [ 0.0004136500000000, 0.0000787300000000, 0.0001616500000000 ] - [ -0.0005989500000000, -0.0009969500000000, 0.0000524100000000 ] - [ 0.0115562800000000, 0.0416631100000000, -0.0005339100000000 ] - [ 0.0020320000000000, -0.0037455800000000, -0.0060031200000000 ] - [ 0.0010565200000000, 0.0004232700000000, -0.0002274700000000 ] - [ -0.0002610200000000, 0.0013630400000000, -0.0001055100000000 ] - [ -0.0019002700000000, 0.0015123000000000, 0.0006020300000000 ] - [ 0.0009270200000000, -0.0003670800000000, 0.0005379600000000 ] - [ 0.0002634700000000, 0.0001001000000000, 0.0000710100000000 ] - [ 0.0022015800000000, 0.0000551700000000, -0.0002266300000000 ] - [ -0.0013289200000000, -0.0023299100000000, -0.0020094200000000 ] - [ 0.0008696500000000, -0.0011578900000000, 0.0003105500000000 ] - [ 0.0002676400000000, -0.0009468500000000, -0.0000557800000000 ] - [ -0.0003224400000000, 0.0003942400000000, 0.0025339500000000 ] - [ 0.0008847600000000, -0.0009136700000000, 0.0005518100000000 ] - [ -0.0005059300000000, -0.0000905600000000, -0.0000034900000000 ] - [ -0.0001423300000000, -0.0003015900000000, 0.0004454900000000 ] - [ 0.0001247100000000, 0.0003772100000000, -0.0003155000000000 ] - [ 0.0006128700000000, 0.0014754400000000, -0.0008338400000000 ] - [ -0.0011009600000000, -0.0007184500000000, -0.0001978200000000 ] - [ 0.0008742800000000, -0.0043223800000000, -0.0004075800000000 ] - [ -0.1117423800000000, 0.0292940700000000, 0.0003242700000000 ] - [ 0.0035020700000000, -0.0007575300000000, 0.0010168000000000 ] - [ 0.0004476100000000, 0.0001514200000000, 0.0000607600000000 ] - [ -0.0004552900000000, 0.0004622800000000, -0.0000530800000000 ] - [ 0.0006496300000000, -0.0006696900000000, -0.0007559300000000 ] - [ 0.0007012000000000, 0.0002847500000000, 0.0000372600000000 ] - [ 0.0004879400000000, -0.0016315700000000, 0.0003814000000000 ] - [ -0.0011240900000000, 0.0004160700000000, -0.0055947100000000 ] - [ 0.0007408500000000, -0.0012039300000000, -0.0002970200000000 ] - [ 0.0016485100000000, -0.0025123300000000, -0.0003606700000000 ] - [ 0.0042856100000000, 0.0003486300000000, 0.0002539100000000 ] - [ -0.0032762200000000, -0.0041776900000000, 0.0047759400000000 ] - [ -0.0000615500000000, -0.0003489800000000, 0.0000420100000000 ] - [ -0.0002871600000000, -0.0010609300000000, 0.0000250900000000 ] - [ -0.0018238900000000, 0.0063267600000000, -0.0031819400000000 ]- atom: 37 displacement: [ 0.0049999999943570, -0.0086602540411024, 0.0000000000000000 ] forces: - [ -0.0002826200000000, 0.0005934100000000, 0.0001215400000000 ] - [ 0.0002195700000000, 0.0004066500000000, -0.0001319100000000 ] - [ 0.0000073700000000, 0.0005750900000000, 0.0001013300000000 ] - [ 0.0001246500000000, -0.0005555700000000, -0.0003624900000000 ] - [ 0.0130597200000000, -0.0190095400000000, 0.0001217100000000 ] - [ -0.0002978500000000, 0.0008421700000000, 0.0003009200000000 ] - [ -0.0000764300000000, 0.0000598800000000, 0.0000426300000000 ] - [ -0.0009110800000000, 0.0015490300000000, -0.0028945000000000 ] - [ -0.0004986800000000, -0.0003275000000000, -0.0000792300000000 ] - [ 0.0001246100000000, -0.0005106600000000, -0.0000243300000000 ] - [ 0.0002449700000000, 0.0003939300000000, -0.0000005100000000 ] - [ 0.0006558900000000, -0.0012776200000000, -0.0004462900000000 ] - [ 0.0005417800000000, -0.0008006900000000, 0.0002597700000000 ] - [ -0.0005791100000000, -0.0000200800000000, -0.0001747700000000 ] - [ 0.0003087700000000, 0.0003021500000000, -0.0001648500000000 ] - [ -0.0000448300000000, 0.0004068900000000, -0.0000325600000000 ] - [ -0.0005296000000000, 0.0000235600000000, 0.0003114000000000 ] - [ -0.0000113600000000, 0.0000445700000000, -0.0000092300000000 ] - [ 0.0004662000000000, 0.0005296400000000, -0.0000245400000000 ] - [ -0.0007628500000000, -0.0002164800000000, 0.0001234300000000 ] - [ -0.0002110000000000, -0.0060932000000000, 0.0032111100000000 ] - [ 0.0035049800000000, -0.0016306400000000, -0.0042967300000000 ] - [ 0.0005763600000000, -0.0011190200000000, -0.0008002700000000 ] - [ -0.0000670400000000, -0.0006709200000000, 0.0000285400000000 ] - [ 0.0001741100000000, 0.0000473600000000, 0.0002468100000000 ] - [ 0.0008911700000000, 0.0006650500000000, 0.0002824800000000 ] - [ 0.0008848100000000, -0.0024606100000000, -0.0006348400000000 ] - [ 0.0235896500000000, -0.0085356500000000, -0.0017299100000000 ] - [ -0.0022269600000000, -0.0000765800000000, 0.0004637400000000 ] - [ 0.0014433100000000, 0.0011111600000000, -0.0000399300000000 ] - [ -0.0002176500000000, -0.0014709800000000, -0.0005523300000000 ] - [ -0.0004324900000000, -0.0003360200000000, -0.0000309500000000 ] - [ 0.0012407500000000, 0.0015312300000000, -0.0004827300000000 ] - [ -0.0002293000000000, -0.0016546300000000, 0.0010677500000000 ] - [ -0.0002833800000000, -0.0000394700000000, -0.0001093200000000 ] - [ 0.0000761700000000, 0.0006639300000000, -0.0003081400000000 ] - [ -0.1319246600000000, 0.0994135500000000, 0.0013891200000000 ] - [ 0.0003053900000000, -0.0003305000000000, -0.0001359700000000 ] - [ 0.0009814300000000, -0.0009520700000000, -0.0000223100000000 ] - [ -0.0025972400000000, -0.0019997200000000, -0.0065403200000000 ] - [ -0.0002578900000000, -0.0002634200000000, -0.0000054700000000 ] - [ 0.0000892200000000, 0.0000109400000000, -0.0000039100000000 ] - [ -0.0003247300000000, 0.0003605100000000, 0.0000474200000000 ] - [ 0.0006517000000000, -0.0001899400000000, -0.0001490900000000 ] - [ 0.0001572800000000, 0.0001141800000000, 0.0000683300000000 ] - [ -0.0004087600000000, -0.0004383300000000, -0.0002378200000000 ] - [ -0.0001652400000000, 0.0011964400000000, -0.0007419600000000 ] - [ -0.0001253400000000, 0.0001747000000000, -0.0002119500000000 ] - [ 0.0007529300000000, -0.0006413100000000, 0.0003520700000000 ] - [ -0.0008259300000000, -0.0003224100000000, -0.0005940100000000 ] - [ 0.0006195000000000, 0.0005753900000000, -0.0002362000000000 ] - [ 0.0009478400000000, -0.0008616900000000, -0.0000114900000000 ] - [ 0.0002757400000000, -0.0014884000000000, 0.0002486200000000 ] - [ -0.0009326300000000, -0.0004286300000000, -0.0003698600000000 ] - [ 0.0006294600000000, 0.0000911700000000, 0.0002005200000000 ] - [ -0.0004369900000000, 0.0004993200000000, 0.0003368300000000 ] - [ -0.0000199600000000, 0.0003745400000000, 0.0001266700000000 ] - [ 0.0003435000000000, 0.0000611500000000, -0.0000345600000000 ] - [ -0.0000493100000000, 0.0001211100000000, -0.0015395100000000 ] - [ 0.0000019500000000, 0.0002096600000000, -0.0000753800000000 ] - [ 0.0002397800000000, -0.0002799000000000, -0.0000655000000000 ] - [ 0.0004138000000000, -0.0008268400000000, -0.0000888600000000 ] - [ -0.0016382000000000, 0.0016820400000000, -0.0017547900000000 ] - [ 0.0001677800000000, 0.0000990700000000, 0.0000882400000000 ] - [ 0.0018323500000000, -0.0005375500000000, 0.0007864000000000 ] - [ -0.0040178700000000, 0.0065565300000000, 0.0006668500000000 ] - [ 0.0000108100000000, -0.0011408400000000, -0.0000607500000000 ] - [ 0.0043150900000000, -0.0007161700000000, 0.0021835600000000 ] - [ 0.0003548900000000, -0.0023817600000000, 0.0012885600000000 ] - [ 0.0028155000000000, -0.0010652200000000, -0.0002181700000000 ] - [ 0.0005382400000000, 0.0000841900000000, -0.0002718300000000 ] - [ -0.0041745300000000, 0.0067526200000000, -0.0010814500000000 ] - [ -0.0009482500000000, 0.0009968600000000, -0.0000185900000000 ] - [ -0.0004766600000000, -0.0007002200000000, 0.0002029000000000 ] - [ -0.0003927800000000, -0.0001011700000000, -0.0000470400000000 ] - [ 0.0000235300000000, -0.0001360600000000, 0.0003301400000000 ] - [ 0.0002910900000000, 0.0002939400000000, -0.0000891100000000 ] - [ 0.0002187700000000, -0.0001626900000000, -0.0001388700000000 ] - [ -0.0003899000000000, -0.0008697400000000, 0.0010540600000000 ] - [ 0.0009991300000000, -0.0009169000000000, 0.0007806600000000 ] - [ 0.0009867500000000, -0.0003667100000000, -0.0003704700000000 ] - [ -0.0018647200000000, -0.0088906800000000, 0.0019297500000000 ] - [ 0.0009899000000000, -0.0002252200000000, -0.0001971900000000 ] - [ 0.0007507600000000, -0.0007179100000000, 0.0000587700000000 ] - [ 0.0001918000000000, -0.0003056100000000, -0.0001768900000000 ] - [ -0.0006555100000000, 0.0032926500000000, 0.0003545600000000 ] - [ 0.0001151700000000, -0.0005770000000000, -0.0001587700000000 ] - [ 0.0001842200000000, -0.0005730800000000, 0.0001830500000000 ] - [ 0.0000870900000000, 0.0003765000000000, -0.0008192700000000 ] - [ 0.0001222600000000, -0.0006325300000000, 0.0000546400000000 ] - [ -0.0007412200000000, 0.0001453700000000, -0.0000741900000000 ] - [ 0.0005449100000000, 0.0006006700000000, 0.0000337800000000 ] - [ -0.0121350800000000, -0.0424519200000000, 0.0006229400000000 ] - [ -0.0022124900000000, 0.0039153700000000, 0.0061008700000000 ] - [ -0.0010948500000000, -0.0006550400000000, 0.0002861200000000 ] - [ 0.0005043700000000, -0.0012366700000000, 0.0001546700000000 ] - [ 0.0015766500000000, -0.0013504300000000, -0.0005073100000000 ] - [ -0.0009500900000000, -0.0000035500000000, -0.0004795600000000 ] - [ 0.0000590800000000, 0.0000703400000000, -0.0000077500000000 ] - [ -0.0024554400000000, 0.0001119800000000, 0.0002956000000000 ] - [ 0.0013082900000000, 0.0020167100000000, 0.0020667000000000 ] - [ -0.0005845000000000, 0.0013150200000000, -0.0002464800000000 ] - [ -0.0005939000000000, 0.0011241800000000, 0.0001743000000000 ] - [ 0.0002985400000000, -0.0007691800000000, -0.0023963700000000 ] - [ -0.0005612200000000, 0.0010916300000000, -0.0004313400000000 ] - [ 0.0002672400000000, 0.0002534900000000, 0.0000174900000000 ] - [ 0.0001289500000000, 0.0000183800000000, -0.0004342900000000 ] - [ 0.0001378800000000, -0.0002383900000000, 0.0003230700000000 ] - [ -0.0002374700000000, -0.0014428700000000, 0.0006141100000000 ] - [ 0.0008854200000000, 0.0010280100000000, -0.0000268600000000 ] - [ -0.0010449500000000, 0.0039851600000000, 0.0001804300000000 ] - [ 0.1127826600000000, -0.0284729400000000, -0.0001595700000000 ] - [ -0.0030836100000000, 0.0005724400000000, -0.0008147800000000 ] - [ -0.0004759900000000, 0.0003434400000000, 0.0001413400000000 ] - [ 0.0008394600000000, -0.0004247200000000, -0.0001738900000000 ] - [ -0.0008600400000000, 0.0009635800000000, 0.0005378400000000 ] - [ -0.0008623500000000, -0.0006324000000000, -0.0002669500000000 ] - [ -0.0008820000000000, 0.0013824600000000, -0.0001310000000000 ] - [ 0.0014891300000000, -0.0005951800000000, 0.0058170500000000 ] - [ -0.0007589700000000, 0.0016761100000000, 0.0005536500000000 ] - [ -0.0012548600000000, 0.0025429900000000, 0.0002013600000000 ] - [ -0.0044853800000000, -0.0000382800000000, -0.0004121400000000 ] - [ 0.0030711900000000, 0.0038186500000000, -0.0049183500000000 ] - [ -0.0003407800000000, 0.0000988300000000, 0.0001649700000000 ] - [ 0.0006863000000000, 0.0008636800000000, 0.0001909400000000 ] - [ 0.0017849300000000, -0.0058635700000000, 0.0033864000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000042100000000, 0.0000877000000000, 0.0002267700000000 ] - [ -0.0000698400000000, 0.0002616500000000, -0.0000522100000000 ] - [ 0.0002934800000000, -0.0008463300000000, 0.0002244600000000 ] - [ -0.0001524500000000, -0.0000622100000000, 0.0002717300000000 ] - [ 0.0000693100000000, -0.0002483900000000, 0.0033582900000000 ] - [ 0.0000113200000000, 0.0000976100000000, 0.0002752100000000 ] - [ 0.0000138700000000, 0.0000568500000000, -0.0000783700000000 ] - [ -0.0004892900000000, 0.0002630300000000, 0.0003987300000000 ] - [ 0.0000028200000000, -0.0001405700000000, 0.0000402800000000 ] - [ -0.0008582400000000, -0.0016363200000000, 0.0002399200000000 ] - [ 0.0000652900000000, 0.0000491100000000, -0.0000702600000000 ] - [ 0.0006118300000000, 0.0011444700000000, -0.0012527000000000 ] - [ 0.0009395500000000, -0.0001321600000000, -0.0021091400000000 ] - [ 0.0000777300000000, 0.0001147900000000, -0.0003228800000000 ] - [ -0.0001363500000000, -0.0002810200000000, -0.0006723900000000 ] - [ 0.0001334600000000, -0.0000017400000000, -0.0001502000000000 ] - [ -0.0000264000000000, -0.0000479600000000, -0.0000436400000000 ] - [ 0.0002019800000000, 0.0000129400000000, -0.0000773100000000 ] - [ -0.0000907000000000, -0.0001493400000000, -0.0000328400000000 ] - [ 0.0000320900000000, 0.0000365600000000, -0.0000230600000000 ] - [ 0.0009082800000000, -0.0045282000000000, 0.0010991500000000 ] - [ -0.0030615900000000, 0.0013437300000000, 0.0007148000000000 ] - [ 0.0001886800000000, 0.0002541700000000, -0.0002458600000000 ] - [ -0.0001870900000000, 0.0001446700000000, -0.0001945600000000 ] - [ -0.0005375600000000, -0.0002455500000000, -0.0007814400000000 ] - [ -0.0001085300000000, 0.0001064600000000, 0.0001961900000000 ] - [ -0.0000369200000000, -0.0001302400000000, -0.0002450000000000 ] - [ -0.0002716300000000, -0.0002695600000000, -0.0071447000000000 ] - [ 0.0001212200000000, -0.0008409500000000, -0.0002000600000000 ] - [ 0.0005087800000000, 0.0003311500000000, -0.0002259400000000 ] - [ 0.0001167100000000, -0.0006985100000000, -0.0006611600000000 ] - [ -0.0003098800000000, 0.0000452800000000, -0.0002406500000000 ] - [ -0.0005596300000000, -0.0000138300000000, -0.0009619100000000 ] - [ -0.0000461000000000, -0.0008508700000000, 0.0007267500000000 ] - [ -0.0001031300000000, 0.0002418800000000, 0.0001070200000000 ] - [ -0.0003049900000000, -0.0002341400000000, 0.0003099400000000 ] - [ 0.0024440600000000, -0.0005793400000000, -0.0340677700000000 ] - [ 0.0000188000000000, -0.0001438200000000, -0.0001792600000000 ] - [ -0.0000432600000000, -0.0001583900000000, -0.0001800800000000 ] - [ 0.0006971200000000, 0.0038822900000000, 0.0034655500000000 ] - [ 0.0000290300000000, -0.0000058600000000, -0.0000471000000000 ] - [ 0.0000984200000000, 0.0000122000000000, -0.0000771900000000 ] - [ 0.0004001500000000, 0.0004043400000000, 0.0014568700000000 ] - [ 0.0000341100000000, -0.0000297400000000, 0.0003808700000000 ] - [ 0.0000163900000000, -0.0000575600000000, 0.0001543700000000 ] - [ 0.0000174800000000, -0.0002096900000000, -0.0000042700000000 ] - [ 0.0000191800000000, 0.0010365000000000, 0.0016999900000000 ] - [ -0.0000361100000000, 0.0002249200000000, -0.0000551300000000 ] - [ 0.0000865300000000, -0.0001252700000000, 0.0003420500000000 ] - [ -0.0002042600000000, 0.0012800000000000, 0.0007014700000000 ] - [ -0.0001425600000000, -0.0003547600000000, -0.0002270900000000 ] - [ -0.0002138700000000, 0.0003495500000000, 0.0004606100000000 ] - [ 0.0003362700000000, -0.0003277500000000, -0.0002265500000000 ] - [ 0.0001809000000000, 0.0007510700000000, -0.0002999900000000 ] - [ 0.0002057900000000, -0.0002126600000000, 0.0000716400000000 ] - [ 0.0002322000000000, -0.0009511600000000, 0.0010691200000000 ] - [ 0.0004216900000000, 0.0006087800000000, 0.0008090800000000 ] - [ -0.0000821300000000, -0.0001988200000000, 0.0001449900000000 ] - [ -0.0006274600000000, 0.0006670600000000, 0.0008301900000000 ] - [ 0.0000336900000000, -0.0003397900000000, 0.0014987000000000 ] - [ -0.0001416300000000, 0.0001194600000000, -0.0000922200000000 ] - [ 0.0001586400000000, 0.0000423800000000, -0.0000797200000000 ] - [ -0.0017876100000000, 0.0014024000000000, 0.0064834700000000 ] - [ -0.0001040800000000, 0.0001810200000000, -0.0002019600000000 ] - [ 0.0001029200000000, 0.0000213900000000, -0.0000951200000000 ] - [ 0.0122572500000000, 0.0044889100000000, -0.0002592100000000 ] - [ 0.0000030000000000, -0.0000374500000000, 0.0000200700000000 ] - [ 0.0021519900000000, -0.0007399100000000, 0.0000769400000000 ] - [ 0.0002127100000000, -0.0003375400000000, -0.0000584800000000 ] - [ 0.0001428700000000, -0.0002492600000000, -0.0002828800000000 ] - [ 0.0001313500000000, 0.0000231100000000, -0.0003049700000000 ] - [ -0.0120037000000000, -0.0053078900000000, -0.0008298600000000 ] - [ 0.0015002900000000, 0.0000771800000000, 0.0008712000000000 ] - [ -0.0001312000000000, 0.0004388700000000, 0.0004196300000000 ] - [ 0.0002400800000000, -0.0000652000000000, 0.0002349600000000 ] - [ 0.0001411000000000, 0.0000584100000000, 0.0003344100000000 ] - [ -0.0001397800000000, -0.0000611700000000, 0.0000643400000000 ] - [ -0.0000898800000000, 0.0001207100000000, 0.0002606500000000 ] - [ 0.0002369900000000, -0.0010774900000000, 0.0001874200000000 ] - [ 0.0000670700000000, -0.0002702400000000, 0.0002977900000000 ] - [ 0.0001322700000000, 0.0002468400000000, 0.0000283700000000 ] - [ 0.0000959200000000, -0.0010357100000000, -0.0020293100000000 ] - [ 0.0000721200000000, -0.0000052100000000, -0.0006792500000000 ] - [ 0.0001787600000000, 0.0000160600000000, -0.0001813000000000 ] - [ 0.0000137700000000, 0.0001053400000000, -0.0001100900000000 ] - [ 0.0017586800000000, 0.0013295000000000, 0.0063666700000000 ] - [ -0.0001113600000000, -0.0000936900000000, -0.0000982300000000 ] - [ -0.0000249000000000, 0.0001277600000000, 0.0002747300000000 ] - [ -0.0007594800000000, 0.0002886600000000, 0.0021481700000000 ] - [ -0.0000169800000000, -0.0000069700000000, 0.0002600600000000 ] - [ -0.0001258000000000, 0.0001335300000000, 0.0002294200000000 ] - [ 0.0000879800000000, 0.0000084500000000, 0.0002597500000000 ] - [ 0.0000749100000000, 0.0006601300000000, 0.0014080300000000 ] - [ 0.0005112400000000, -0.0002552900000000, 0.0005354400000000 ] - [ -0.0001256100000000, -0.0002272300000000, 0.0000764100000000 ] - [ 0.0019659300000000, 0.0032578300000000, 0.0001776700000000 ] - [ -0.0020912100000000, 0.0009551400000000, -0.0046334300000000 ] - [ -0.0000848100000000, -0.0001623900000000, 0.0000125900000000 ] - [ -0.0000191100000000, 0.0001352500000000, 0.0000003300000000 ] - [ 0.0010637500000000, -0.0000454300000000, 0.0005061900000000 ] - [ 0.0000772900000000, -0.0012792700000000, 0.0009732100000000 ] - [ -0.0000278600000000, 0.0001999100000000, 0.0001138600000000 ] - [ -0.0001197100000000, 0.0002381900000000, -0.0000596100000000 ] - [ -0.0018937700000000, 0.0018145300000000, -0.0025744300000000 ] - [ 0.0000930700000000, 0.0002100500000000, -0.0001516600000000 ] - [ -0.0001768000000000, 0.0000512400000000, -0.0001884000000000 ] - [ 0.0003498800000000, -0.0007426600000000, -0.0006731200000000 ] - [ -0.0002230800000000, 0.0001569900000000, -0.0009410400000000 ] - [ 0.0008229000000000, 0.0004271200000000, 0.0000225900000000 ] - [ -0.0002236900000000, -0.0002407200000000, 0.0000013000000000 ] - [ -0.0012355600000000, 0.0021037400000000, 0.0004492700000000 ] - [ -0.0022181300000000, 0.0003387500000000, 0.0317508400000000 ] - [ 0.0001401700000000, -0.0001319800000000, 0.0001513100000000 ] - [ 0.0003674800000000, 0.0001614800000000, 0.0004037800000000 ] - [ -0.0004437600000000, -0.0004597800000000, -0.0019600200000000 ] - [ 0.0000014100000000, 0.0003822200000000, -0.0020042900000000 ] - [ -0.0001362600000000, -0.0001679200000000, -0.0003222600000000 ] - [ -0.0000885200000000, -0.0003809300000000, -0.0000007200000000 ] - [ 0.0039630100000000, -0.0041066400000000, -0.0037155800000000 ] - [ -0.0000677400000000, 0.0000487600000000, -0.0000326600000000 ] - [ 0.0002791100000000, -0.0000114300000000, 0.0000365800000000 ] - [ -0.0016972300000000, 0.0003858700000000, 0.0002854200000000 ] - [ -0.0007551600000000, 0.0012910700000000, 0.0006133900000000 ] - [ -0.0003947100000000, -0.0001656800000000, 0.0001122500000000 ] - [ 0.0000497000000000, -0.0002916700000000, -0.0000166900000000 ] - [ -0.0028504600000000, -0.0028478000000000, -0.0039959800000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000273700000000, -0.0000361100000000, 0.0000675900000000 ] - [ -0.0001977300000000, -0.0000870700000000, -0.0001715400000000 ] - [ -0.0003918100000000, 0.0005133200000000, -0.0004511900000000 ] - [ 0.0004455400000000, 0.0001224900000000, -0.0005010900000000 ] - [ 0.0000295400000000, 0.0001467400000000, -0.0030624800000000 ] - [ 0.0000582100000000, -0.0000082800000000, 0.0000260300000000 ] - [ -0.0000168300000000, 0.0000685700000000, 0.0000792000000000 ] - [ 0.0002740100000000, -0.0001177800000000, -0.0003435300000000 ] - [ -0.0001038900000000, -0.0001299100000000, -0.0000038000000000 ] - [ 0.0010994900000000, 0.0016598200000000, -0.0002062100000000 ] - [ -0.0001003600000000, -0.0000696300000000, 0.0000681600000000 ] - [ -0.0004920300000000, -0.0011085500000000, 0.0012532500000000 ] - [ -0.0009747000000000, 0.0002605000000000, 0.0020614200000000 ] - [ -0.0003124100000000, 0.0000579200000000, 0.0001434400000000 ] - [ 0.0000263800000000, -0.0000242500000000, 0.0004931900000000 ] - [ 0.0001374800000000, 0.0000313600000000, -0.0000295700000000 ] - [ -0.0000053700000000, 0.0000086000000000, -0.0000141600000000 ] - [ -0.0000712300000000, 0.0000266900000000, 0.0000330100000000 ] - [ 0.0001578000000000, 0.0001560800000000, 0.0001172300000000 ] - [ -0.0000748000000000, 0.0000144000000000, 0.0000973200000000 ] - [ -0.0009364000000000, 0.0044572200000000, -0.0010290200000000 ] - [ 0.0029314900000000, -0.0017810300000000, -0.0010652100000000 ] - [ 0.0002573900000000, -0.0001301200000000, -0.0001030300000000 ] - [ -0.0001463800000000, 0.0001734900000000, -0.0001538100000000 ] - [ 0.0006007000000000, -0.0000503600000000, 0.0013421400000000 ] - [ -0.0001817100000000, -0.0000164700000000, 0.0003717600000000 ] - [ 0.0002811200000000, -0.0002296200000000, 0.0000177200000000 ] - [ 0.0004604800000000, 0.0004794400000000, 0.0077108400000000 ] - [ -0.0005166600000000, 0.0008596800000000, -0.0000244000000000 ] - [ -0.0003198200000000, 0.0000653700000000, -0.0000028900000000 ] - [ 0.0002437000000000, 0.0002556400000000, 0.0005881000000000 ] - [ -0.0002609800000000, -0.0001200000000000, 0.0001660300000000 ] - [ 0.0007443000000000, 0.0005386500000000, 0.0008975200000000 ] - [ -0.0001194200000000, 0.0004503400000000, -0.0007453500000000 ] - [ -0.0001424000000000, 0.0000511400000000, -0.0001301300000000 ] - [ 0.0006656500000000, 0.0002971300000000, -0.0003387400000000 ] - [ -0.0016455200000000, 0.0005278700000000, 0.0337956000000000 ] - [ 0.0002400400000000, 0.0001316800000000, -0.0000869300000000 ] - [ -0.0000827400000000, -0.0001285900000000, -0.0000875700000000 ] - [ -0.0007969800000000, -0.0037930200000000, -0.0033737500000000 ] - [ 0.0001296500000000, 0.0000258200000000, 0.0001266600000000 ] - [ -0.0001338100000000, -0.0001208600000000, 0.0001676400000000 ] - [ -0.0003475500000000, -0.0003875000000000, -0.0013909700000000 ] - [ -0.0000644400000000, 0.0000588100000000, -0.0003252200000000 ] - [ -0.0000272100000000, 0.0000112000000000, -0.0000955300000000 ] - [ -0.0001124000000000, -0.0002393300000000, -0.0003314100000000 ] - [ 0.0004228300000000, -0.0009105400000000, -0.0020409100000000 ] - [ -0.0003107500000000, 0.0000753000000000, -0.0002835900000000 ] - [ -0.0000213600000000, -0.0001593300000000, 0.0002417500000000 ] - [ -0.0000714100000000, -0.0011833200000000, -0.0001126300000000 ] - [ 0.0003899500000000, -0.0000038400000000, -0.0000292600000000 ] - [ 0.0004329200000000, -0.0001614000000000, 0.0001202600000000 ] - [ -0.0007186200000000, 0.0003416800000000, -0.0000292400000000 ] - [ 0.0000010900000000, -0.0003581500000000, 0.0000430400000000 ] - [ 0.0001234700000000, -0.0002553100000000, -0.0001297000000000 ] - [ -0.0008101200000000, 0.0009146800000000, -0.0011324500000000 ] - [ -0.0001837700000000, -0.0000903700000000, -0.0008606600000000 ] - [ -0.0000902100000000, -0.0002060700000000, -0.0000873500000000 ] - [ 0.0003810700000000, -0.0003675600000000, -0.0007695100000000 ] - [ 0.0003343000000000, 0.0004034700000000, -0.0014511300000000 ] - [ 0.0000248300000000, 0.0001138200000000, -0.0001363800000000 ] - [ 0.0001089000000000, -0.0000648400000000, -0.0001508900000000 ] - [ 0.0016348700000000, -0.0016774300000000, -0.0066172600000000 ] - [ -0.0000056100000000, -0.0000766800000000, 0.0002721500000000 ] - [ 0.0000415300000000, 0.0000227700000000, 0.0001601000000000 ] - [ -0.0121424300000000, -0.0045431300000000, 0.0003494700000000 ] - [ 0.0000469900000000, 0.0000549000000000, 0.0001156300000000 ] - [ -0.0021895400000000, 0.0007740200000000, 0.0000546300000000 ] - [ -0.0002233000000000, 0.0002906500000000, 0.0001917300000000 ] - [ -0.0002470200000000, -0.0001888800000000, -0.0000656400000000 ] - [ 0.0002999200000000, 0.0001153300000000, -0.0000476900000000 ] - [ 0.0117906300000000, 0.0056599800000000, 0.0004585500000000 ] - [ -0.0014553800000000, -0.0003654800000000, -0.0003317100000000 ] - [ -0.0001389400000000, -0.0003419600000000, 0.0001272200000000 ] - [ 0.0000092200000000, -0.0002879600000000, -0.0004382200000000 ] - [ 0.0000845100000000, 0.0001145300000000, 0.0002017400000000 ] - [ -0.0002564900000000, 0.0000708900000000, -0.0002650400000000 ] - [ 0.0002699000000000, 0.0002751700000000, -0.0004633800000000 ] - [ 0.0001072100000000, 0.0006317500000000, -0.0001883500000000 ] - [ -0.0006406900000000, 0.0002199600000000, -0.0003069100000000 ] - [ 0.0000886900000000, 0.0002732500000000, -0.0000263800000000 ] - [ -0.0002636700000000, 0.0006310900000000, 0.0020575100000000 ] - [ -0.0003099400000000, 0.0002927200000000, 0.0006955100000000 ] - [ 0.0001717900000000, 0.0000447500000000, 0.0001898800000000 ] - [ -0.0001388500000000, 0.0001291200000000, -0.0001544300000000 ] - [ -0.0015033800000000, -0.0013669400000000, -0.0067341100000000 ] - [ -0.0000227500000000, -0.0002033400000000, -0.0001693700000000 ] - [ -0.0000811700000000, -0.0000153800000000, -0.0001558800000000 ] - [ 0.0009042100000000, -0.0002460600000000, -0.0020316700000000 ] - [ -0.0000022000000000, -0.0001046400000000, -0.0001315000000000 ] - [ -0.0001959500000000, 0.0000909300000000, -0.0001413100000000 ] - [ -0.0001431000000000, -0.0004063700000000, -0.0001747400000000 ] - [ 0.0004167000000000, -0.0001419800000000, -0.0013332900000000 ] - [ -0.0006889400000000, 0.0003983600000000, -0.0005033900000000 ] - [ 0.0000852900000000, 0.0000001500000000, -0.0000202500000000 ] - [ -0.0017308700000000, -0.0031664300000000, -0.0001261500000000 ] - [ 0.0017458100000000, -0.0007804200000000, 0.0046901700000000 ] - [ 0.0000634800000000, -0.0002067000000000, 0.0000522700000000 ] - [ 0.0003343900000000, 0.0000349900000000, 0.0000617100000000 ] - [ -0.0013270400000000, 0.0002093900000000, -0.0004343400000000 ] - [ -0.0000868500000000, 0.0009695200000000, -0.0008962300000000 ] - [ 0.0003109900000000, -0.0000445100000000, -0.0000474400000000 ] - [ -0.0002117400000000, -0.0000591600000000, 0.0001761200000000 ] - [ 0.0018880500000000, -0.0022121500000000, 0.0026891400000000 ] - [ 0.0002315700000000, -0.0000298500000000, 0.0002678900000000 ] - [ -0.0000609000000000, 0.0001075900000000, 0.0002016900000000 ] - [ -0.0003676000000000, 0.0004655500000000, 0.0006863500000000 ] - [ 0.0004919100000000, -0.0000176200000000, 0.0009505300000000 ] - [ -0.0004395700000000, -0.0003979600000000, -0.0002491600000000 ] - [ 0.0000092500000000, 0.0005484200000000, -0.0002246500000000 ] - [ 0.0010518300000000, -0.0024468500000000, -0.0006794600000000 ] - [ 0.0005749000000000, -0.0006798000000000, -0.0315258700000000 ] - [ 0.0003003400000000, -0.0000567900000000, 0.0000575700000000 ] - [ -0.0004136500000000, 0.0003367500000000, -0.0001997900000000 ] - [ 0.0008289200000000, 0.0004850300000000, 0.0017344200000000 ] - [ -0.0002197100000000, -0.0000833200000000, 0.0017780900000000 ] - [ -0.0000242900000000, -0.0001759400000000, 0.0000925100000000 ] - [ -0.0003120900000000, 0.0001327400000000, 0.0002517900000000 ] - [ -0.0035456100000000, 0.0038730300000000, 0.0039867900000000 ] - [ 0.0000512100000000, 0.0004226700000000, 0.0002917500000000 ] - [ 0.0001153700000000, 0.0000357700000000, -0.0001976800000000 ] - [ 0.0014755700000000, -0.0000795300000000, -0.0004439500000000 ] - [ 0.0005816000000000, -0.0016435700000000, -0.0007978200000000 ] - [ -0.0000005300000000, -0.0000831100000000, 0.0000928200000000 ] - [ 0.0003470200000000, 0.0000944600000000, 0.0002324300000000 ] - [ 0.0028429900000000, 0.0033639800000000, 0.0042072900000000 ]- atom: 40 displacement: [ 0.0100000000000000, -0.0000000000071070, 0.0000000000000000 ] forces: - [ -0.0000065200000000, 0.0004592000000000, -0.0000000700000000 ] - [ -0.0001343600000000, -0.0003375300000000, -0.0000287600000000 ] - [ 0.0051443500000000, -0.0048079800000000, -0.0002198900000000 ] - [ -0.0026927900000000, 0.0009501800000000, 0.0013075300000000 ] - [ 0.0006835300000000, -0.0000171500000000, 0.0002455600000000 ] - [ -0.0003440000000000, 0.0000207400000000, 0.0001281900000000 ] - [ -0.0003605400000000, -0.0003913800000000, -0.0001188700000000 ] - [ -0.0004702200000000, 0.0003736300000000, -0.0004401900000000 ] - [ -0.0005830000000000, -0.0001033000000000, -0.0001168700000000 ] - [ -0.0000054100000000, -0.0002687800000000, -0.0000253600000000 ] - [ 0.0001585600000000, 0.0001051600000000, -0.0000046300000000 ] - [ 0.0008564300000000, -0.0003451200000000, -0.0002606600000000 ] - [ 0.0002871400000000, -0.0010725100000000, 0.0005690300000000 ] - [ -0.0001271100000000, 0.0006931600000000, -0.0002212700000000 ] - [ -0.0000233000000000, -0.0001425500000000, -0.0000404300000000 ] - [ 0.0000205700000000, 0.0003562300000000, 0.0001321600000000 ] - [ -0.0007465700000000, -0.0000421300000000, -0.0000049100000000 ] - [ -0.0000920100000000, 0.0001868000000000, 0.0000640800000000 ] - [ 0.0011044000000000, 0.0008457400000000, -0.0002309400000000 ] - [ -0.0004374000000000, 0.0001338200000000, 0.0000676700000000 ] - [ -0.0009586200000000, -0.0004531700000000, 0.0013932500000000 ] - [ -0.0005923700000000, -0.0004651400000000, -0.0002603700000000 ] - [ 0.0004478100000000, 0.0000233400000000, -0.0001449400000000 ] - [ -0.0002730100000000, -0.0003588600000000, 0.0000694300000000 ] - [ 0.0004109900000000, -0.0000999800000000, 0.0003293000000000 ] - [ 0.0007221500000000, 0.0004671200000000, 0.0003473000000000 ] - [ 0.0038168700000000, -0.0039511300000000, 0.0001385600000000 ] - [ 0.0014064000000000, 0.0026329900000000, 0.0023256600000000 ] - [ -0.0002340600000000, 0.0003083600000000, -0.0001503000000000 ] - [ 0.0008311900000000, -0.0009055500000000, -0.0003823800000000 ] - [ -0.0006814700000000, -0.0011333500000000, 0.0006985400000000 ] - [ -0.0003080900000000, 0.0005619900000000, -0.0003191900000000 ] - [ 0.0042123500000000, -0.0009674900000000, -0.0047397700000000 ] - [ -0.0003931800000000, -0.0004331900000000, 0.0002579300000000 ] - [ -0.0001839300000000, 0.0005535000000000, 0.0000575000000000 ] - [ 0.0002057300000000, 0.0001151100000000, 0.0006131700000000 ] - [ -0.0018185000000000, 0.0020274000000000, 0.0006096300000000 ] - [ 0.0001257600000000, -0.0003150500000000, -0.0001331900000000 ] - [ 0.0009931400000000, -0.0002847000000000, -0.0000940300000000 ] - [ -0.0582643500000000, 0.0503274300000000, -0.0389693200000000 ] - [ -0.0003904700000000, 0.0002342700000000, 0.0001631800000000 ] - [ 0.0014232200000000, 0.0008260200000000, -0.0000670800000000 ] - [ 0.0000505800000000, 0.0005036800000000, -0.0000196000000000 ] - [ 0.0013929200000000, -0.0002932400000000, -0.0006429300000000 ] - [ 0.0007256400000000, -0.0006096800000000, 0.0000788100000000 ] - [ -0.0005898200000000, -0.0001886000000000, -0.0003280400000000 ] - [ -0.0058563000000000, 0.0019057400000000, -0.0016617000000000 ] - [ 0.0013631000000000, 0.0015495100000000, -0.0002083000000000 ] - [ 0.0005298400000000, -0.0002665900000000, 0.0003363000000000 ] - [ -0.0005466700000000, -0.0001598000000000, 0.0003986100000000 ] - [ 0.0012844100000000, -0.0012852800000000, -0.0005700900000000 ] - [ 0.0002925600000000, -0.0006345900000000, 0.0002546100000000 ] - [ -0.0004532300000000, -0.0003202100000000, 0.0002386200000000 ] - [ 0.0001225700000000, 0.0005693800000000, -0.0001374300000000 ] - [ 0.0010614000000000, 0.0002164000000000, 0.0002615100000000 ] - [ -0.0004370400000000, 0.0002113900000000, -0.0007214200000000 ] - [ 0.0003452200000000, 0.0003412900000000, -0.0000513400000000 ] - [ 0.0006565100000000, -0.0000622400000000, -0.0001888700000000 ] - [ 0.0023899100000000, 0.0004248100000000, -0.0031306800000000 ] - [ 0.0003260300000000, 0.0001741200000000, -0.0001081900000000 ] - [ -0.0001050600000000, -0.0001841500000000, -0.0000858100000000 ] - [ 0.0006984100000000, 0.0001572300000000, -0.0000690600000000 ] - [ -0.0009014300000000, -0.0000294300000000, 0.0000721900000000 ] - [ 0.0002123600000000, -0.0001789900000000, 0.0001470000000000 ] - [ 0.0008497700000000, -0.0000004800000000, 0.0001449200000000 ] - [ -0.0001467100000000, 0.0008174100000000, 0.0007117700000000 ] - [ -0.0001764900000000, -0.0014127000000000, -0.0001040900000000 ] - [ -0.0002864900000000, -0.0007376300000000, -0.0000645200000000 ] - [ 0.0002018900000000, 0.0000272800000000, 0.0000376900000000 ] - [ 0.0015309300000000, -0.0002345900000000, 0.0003811400000000 ] - [ 0.0005591500000000, -0.0002268300000000, -0.0003251800000000 ] - [ -0.0000722500000000, 0.0012602100000000, -0.0004316100000000 ] - [ 0.0098885400000000, -0.0085552600000000, 0.0162682400000000 ] - [ -0.0016723500000000, -0.0008226600000000, -0.0000727200000000 ] - [ 0.0000446900000000, 0.0001900800000000, -0.0001240200000000 ] - [ 0.0002439300000000, 0.0010177900000000, 0.0003599400000000 ] - [ 0.0023518400000000, -0.0007317500000000, 0.0003532300000000 ] - [ 0.0000255900000000, -0.0002618700000000, -0.0007906500000000 ] - [ 0.0000081400000000, -0.0001561800000000, -0.0000325900000000 ] - [ -0.0000690500000000, -0.0008741800000000, 0.0001911700000000 ] - [ 0.0013156500000000, -0.0003644500000000, -0.0006915600000000 ] - [ -0.0002112700000000, -0.0000513600000000, -0.0000024400000000 ] - [ -0.0000082100000000, -0.0004921300000000, -0.0001120700000000 ] - [ 0.0010937900000000, -0.0006336800000000, 0.0007851000000000 ] - [ 0.0012717400000000, 0.0006259000000000, -0.0001820200000000 ] - [ -0.0075833100000000, 0.0024053100000000, -0.0023070900000000 ] - [ -0.0002270200000000, -0.0005069400000000, -0.0001490600000000 ] - [ 0.0002144600000000, 0.0000824000000000, 0.0000735000000000 ] - [ -0.0007795900000000, -0.0004358700000000, 0.0002469600000000 ] - [ -0.0000750700000000, -0.0005194900000000, -0.0000907600000000 ] - [ -0.0012524000000000, -0.0007302400000000, 0.0003005700000000 ] - [ 0.0006033400000000, 0.0001230300000000, 0.0001570600000000 ] - [ 0.0077540400000000, -0.0063012500000000, -0.0111693500000000 ] - [ -0.0054646700000000, -0.0001778900000000, -0.0006756300000000 ] - [ -0.0009607000000000, -0.0000637800000000, 0.0003185800000000 ] - [ -0.0002504100000000, -0.0006090900000000, 0.0000773200000000 ] - [ 0.0005646400000000, -0.0003797200000000, -0.0003216600000000 ] - [ -0.0010649900000000, -0.0004610500000000, 0.0002020200000000 ] - [ -0.0001186300000000, 0.0004114500000000, -0.0001554800000000 ] - [ 0.0000152800000000, 0.0010793100000000, 0.0001732600000000 ] - [ -0.0000142700000000, -0.0001767400000000, -0.0001265900000000 ] - [ 0.0000181000000000, 0.0005435900000000, -0.0004749200000000 ] - [ -0.0001454900000000, 0.0009838400000000, 0.0003968100000000 ] - [ 0.0015653100000000, 0.0003390800000000, -0.0000016900000000 ] - [ -0.0008447700000000, -0.0002520000000000, 0.0001521000000000 ] - [ 0.0001271000000000, -0.0005637000000000, -0.0002449700000000 ] - [ 0.0011067800000000, 0.0001441400000000, 0.0009764400000000 ] - [ -0.0038410000000000, -0.0008600400000000, -0.0046785200000000 ] - [ -0.0020913400000000, -0.0002090800000000, 0.0021285500000000 ] - [ 0.0002316800000000, -0.0006508400000000, 0.0001301100000000 ] - [ 0.0006605900000000, 0.0003019700000000, -0.0013316200000000 ] - [ 0.0005223700000000, -0.0045349200000000, -0.0010570200000000 ] - [ -0.0017948600000000, -0.0001407000000000, -0.0005888800000000 ] - [ -0.0005020300000000, 0.0006811400000000, 0.0001552600000000 ] - [ 0.0000285000000000, -0.0005950200000000, 0.0000611200000000 ] - [ -0.0015832700000000, 0.0016154500000000, 0.0032283100000000 ] - [ -0.0026439300000000, -0.0003203400000000, -0.0000789300000000 ] - [ -0.0002296800000000, 0.0009071400000000, 0.0000202700000000 ] - [ 0.0014584700000000, 0.0000498800000000, -0.0001764600000000 ] - [ -0.0007620100000000, 0.0001062400000000, 0.0000891900000000 ] - [ -0.0018526800000000, 0.0034052400000000, 0.0000579000000000 ] - [ -0.0003662200000000, 0.0021229000000000, 0.0000010100000000 ] - [ -0.0000158100000000, -0.0002836600000000, 0.0000178400000000 ] - [ -0.0024230400000000, -0.0020720600000000, 0.0003969300000000 ] - [ 0.0014919800000000, 0.0002293800000000, -0.0000808000000000 ] - [ 0.0484905100000000, -0.0302169500000000, 0.0416401700000000 ]- atom: 40 displacement: [ -0.0100000000000000, 0.0000000000071070, 0.0000000000000000 ] forces: - [ -0.0000252600000000, -0.0004057200000000, 0.0002933700000000 ] - [ -0.0001341600000000, 0.0005138200000000, -0.0001950100000000 ] - [ -0.0052473000000000, 0.0042905600000000, 0.0000278200000000 ] - [ 0.0030051200000000, -0.0009013200000000, -0.0015419200000000 ] - [ -0.0006457600000000, 0.0000138200000000, 0.0000463700000000 ] - [ 0.0004123100000000, 0.0000715200000000, 0.0001727200000000 ] - [ 0.0003554100000000, 0.0005168800000000, 0.0001202600000000 ] - [ 0.0002573400000000, -0.0002209100000000, 0.0004786400000000 ] - [ 0.0004799300000000, -0.0001687700000000, 0.0001534700000000 ] - [ 0.0002457500000000, 0.0002864400000000, 0.0000589800000000 ] - [ -0.0001938400000000, -0.0001269900000000, 0.0000016400000000 ] - [ -0.0007474300000000, 0.0003798700000000, 0.0002509500000000 ] - [ -0.0002915500000000, 0.0011969300000000, -0.0006154400000000 ] - [ -0.0001125800000000, -0.0005218200000000, 0.0000431500000000 ] - [ -0.0000849800000000, -0.0001580600000000, -0.0001386400000000 ] - [ 0.0002519100000000, -0.0003251300000000, -0.0003100900000000 ] - [ 0.0007127500000000, 0.0000017500000000, -0.0000504400000000 ] - [ 0.0002220700000000, -0.0001481400000000, -0.0001085400000000 ] - [ -0.0010324400000000, -0.0008349200000000, 0.0003147500000000 ] - [ 0.0003935800000000, -0.0000816900000000, 0.0000076700000000 ] - [ 0.0009296900000000, 0.0003898300000000, -0.0013048500000000 ] - [ 0.0004851300000000, 0.0000181100000000, -0.0000767600000000 ] - [ -0.0000009200000000, 0.0000971100000000, -0.0002009800000000 ] - [ -0.0000622400000000, 0.0006738800000000, -0.0004128700000000 ] - [ -0.0003458400000000, -0.0001963900000000, 0.0002290300000000 ] - [ -0.0010092700000000, -0.0003746200000000, 0.0002215800000000 ] - [ -0.0035452400000000, 0.0035480200000000, -0.0003650300000000 ] - [ -0.0011632900000000, -0.0024121300000000, -0.0017392700000000 ] - [ -0.0001658000000000, -0.0002916500000000, -0.0000767400000000 ] - [ -0.0006377000000000, 0.0013078100000000, 0.0001551800000000 ] - [ 0.0010367200000000, 0.0006892200000000, -0.0007658400000000 ] - [ -0.0002608400000000, -0.0006378300000000, 0.0002477100000000 ] - [ -0.0040198800000000, 0.0015052100000000, 0.0046965500000000 ] - [ 0.0002238300000000, 0.0000373800000000, -0.0002702600000000 ] - [ -0.0000598600000000, -0.0002618000000000, -0.0000819900000000 ] - [ 0.0001612300000000, -0.0000524000000000, -0.0006429600000000 ] - [ 0.0016658500000000, -0.0018314500000000, -0.0008846500000000 ] - [ 0.0001327400000000, 0.0003006800000000, -0.0001330400000000 ] - [ -0.0011145900000000, -0.0000028700000000, -0.0001721300000000 ] - [ 0.0575765900000000, -0.0500581600000000, 0.0393339100000000 ] - [ 0.0005526500000000, -0.0002118300000000, -0.0000872900000000 ] - [ -0.0014623800000000, -0.0009382800000000, 0.0001562000000000 ] - [ -0.0000071000000000, -0.0004908000000000, 0.0000847800000000 ] - [ -0.0014224800000000, 0.0003203000000000, 0.0006930700000000 ] - [ -0.0007371000000000, 0.0005653400000000, -0.0000207200000000 ] - [ 0.0004990500000000, -0.0002585100000000, -0.0000036200000000 ] - [ 0.0062993600000000, -0.0017780100000000, 0.0013400100000000 ] - [ -0.0017114300000000, -0.0012519000000000, -0.0001300900000000 ] - [ -0.0004622800000000, -0.0000213700000000, 0.0002467700000000 ] - [ 0.0002658600000000, 0.0002426700000000, 0.0001934100000000 ] - [ -0.0010340000000000, 0.0009277600000000, 0.0003142700000000 ] - [ -0.0000702700000000, 0.0008222600000000, 0.0003252800000000 ] - [ 0.0000598600000000, 0.0003304500000000, -0.0004903000000000 ] - [ 0.0000580800000000, -0.0001760400000000, -0.0001184700000000 ] - [ -0.0007311000000000, -0.0006831200000000, -0.0003170100000000 ] - [ -0.0001507200000000, -0.0002431800000000, 0.0006544500000000 ] - [ -0.0001095100000000, 0.0001768700000000, 0.0000044500000000 ] - [ -0.0008276200000000, -0.0003400300000000, 0.0002431400000000 ] - [ -0.0026160300000000, -0.0001155400000000, 0.0031481100000000 ] - [ 0.0000371900000000, -0.0001103000000000, 0.0001506300000000 ] - [ -0.0000089600000000, 0.0004177300000000, -0.0001421800000000 ] - [ -0.0004324900000000, -0.0001847900000000, -0.0001610300000000 ] - [ 0.0007649400000000, -0.0002629200000000, -0.0002971400000000 ] - [ -0.0003229000000000, 0.0002860300000000, -0.0000770800000000 ] - [ -0.0006959700000000, 0.0000426200000000, -0.0000750700000000 ] - [ 0.0001268200000000, -0.0009268000000000, -0.0006306000000000 ] - [ 0.0002235700000000, 0.0014195800000000, 0.0002376400000000 ] - [ 0.0002612300000000, 0.0007691800000000, 0.0001902100000000 ] - [ -0.0002107800000000, -0.0000806100000000, 0.0000912800000000 ] - [ -0.0016183100000000, -0.0002071700000000, -0.0007259100000000 ] - [ -0.0001282300000000, 0.0003689000000000, -0.0000242500000000 ] - [ -0.0002754100000000, -0.0009597700000000, 0.0000806300000000 ] - [ -0.0100435000000000, 0.0084435700000000, -0.0159958800000000 ] - [ 0.0013995800000000, 0.0009415400000000, 0.0006228100000000 ] - [ 0.0002038100000000, -0.0005459100000000, -0.0000793800000000 ] - [ -0.0000163800000000, -0.0008459400000000, 0.0001746000000000 ] - [ -0.0027511000000000, 0.0007450400000000, -0.0005563100000000 ] - [ 0.0001452200000000, 0.0006553600000000, 0.0005837900000000 ] - [ 0.0003293800000000, -0.0003066000000000, 0.0000234600000000 ] - [ -0.0005012200000000, 0.0008235700000000, -0.0001987200000000 ] - [ -0.0010897600000000, 0.0008797100000000, 0.0006899300000000 ] - [ 0.0000458800000000, -0.0003378600000000, 0.0000203900000000 ] - [ -0.0002250900000000, 0.0007773500000000, 0.0001276700000000 ] - [ -0.0007402000000000, 0.0006886400000000, -0.0007722800000000 ] - [ -0.0013933800000000, -0.0003934300000000, -0.0000836200000000 ] - [ 0.0078640800000000, -0.0024766600000000, 0.0020710800000000 ] - [ 0.0000917900000000, 0.0002177300000000, -0.0001194400000000 ] - [ -0.0003210300000000, 0.0000276600000000, 0.0000435600000000 ] - [ 0.0009442700000000, 0.0004705900000000, -0.0001247300000000 ] - [ 0.0000546100000000, 0.0004048700000000, 0.0002187500000000 ] - [ 0.0009278600000000, 0.0009553800000000, -0.0002159200000000 ] - [ -0.0006582400000000, -0.0005217800000000, -0.0000699600000000 ] - [ -0.0071828900000000, 0.0063959200000000, 0.0111535500000000 ] - [ 0.0052451300000000, 0.0003350800000000, 0.0007265600000000 ] - [ 0.0009174500000000, -0.0001668000000000, -0.0002615500000000 ] - [ 0.0004849600000000, 0.0006955000000000, -0.0000246900000000 ] - [ -0.0008725900000000, 0.0005562600000000, 0.0003808200000000 ] - [ 0.0010406500000000, 0.0000926900000000, -0.0001397700000000 ] - [ 0.0004338900000000, -0.0002433100000000, 0.0002179200000000 ] - [ -0.0002839200000000, -0.0009151500000000, -0.0001027600000000 ] - [ 0.0000067000000000, -0.0001268600000000, 0.0001959300000000 ] - [ 0.0002675400000000, -0.0003854300000000, 0.0005372500000000 ] - [ -0.0001831200000000, -0.0008024700000000, -0.0002767200000000 ] - [ -0.0016103400000000, -0.0006985400000000, 0.0001239700000000 ] - [ 0.0011660300000000, 0.0004365400000000, -0.0000347400000000 ] - [ -0.0003671200000000, 0.0007253100000000, 0.0002594000000000 ] - [ -0.0011029400000000, -0.0004416200000000, -0.0009656100000000 ] - [ 0.0041130100000000, 0.0010045700000000, 0.0047066900000000 ] - [ 0.0024696000000000, 0.0002353400000000, -0.0023530600000000 ] - [ -0.0004479800000000, 0.0009607500000000, -0.0003554400000000 ] - [ -0.0008298800000000, -0.0006421500000000, 0.0010852700000000 ] - [ -0.0008893800000000, 0.0042144300000000, 0.0012455900000000 ] - [ 0.0022199000000000, -0.0000466300000000, 0.0007899800000000 ] - [ 0.0004535200000000, -0.0001853500000000, 0.0000474300000000 ] - [ 0.0003664700000000, 0.0006256800000000, -0.0002849600000000 ] - [ 0.0013718700000000, -0.0013028000000000, -0.0034285100000000 ] - [ 0.0024814100000000, -0.0000282900000000, -0.0001509700000000 ] - [ -0.0001708500000000, -0.0011526000000000, 0.0002284500000000 ] - [ -0.0010723400000000, -0.0002454900000000, 0.0004285500000000 ] - [ 0.0007451000000000, 0.0003721900000000, 0.0001694500000000 ] - [ 0.0022425600000000, -0.0033639600000000, -0.0002168400000000 ] - [ 0.0001361100000000, -0.0018204000000000, -0.0001630900000000 ] - [ -0.0001537500000000, -0.0000586400000000, -0.0001776000000000 ] - [ 0.0020279700000000, 0.0018289400000000, -0.0001871800000000 ] - [ -0.0011074500000000, -0.0004389200000000, 0.0002980600000000 ] - [ -0.0479425900000000, 0.0307085800000000, -0.0414510500000000 ]- atom: 40 displacement: [ -0.0049999999943570, 0.0086602540411024, 0.0000000000000000 ] forces: - [ 0.0001855700000000, -0.0007725100000000, 0.0003321600000000 ] - [ -0.0008473600000000, -0.0000272000000000, -0.0001433800000000 ] - [ -0.0057641300000000, 0.0130762300000000, 0.0002032000000000 ] - [ 0.0020861700000000, 0.0003239200000000, -0.0016083500000000 ] - [ 0.0001497200000000, -0.0005845700000000, -0.0001468800000000 ] - [ 0.0005437900000000, -0.0001039400000000, 0.0001001400000000 ] - [ 0.0001825800000000, 0.0005140900000000, 0.0001249100000000 ] - [ 0.0002947500000000, 0.0005585100000000, 0.0001864600000000 ] - [ 0.0003792500000000, -0.0001781600000000, 0.0001431700000000 ] - [ -0.0000675500000000, -0.0002162900000000, 0.0000542200000000 ] - [ -0.0002434000000000, -0.0004452100000000, -0.0001633700000000 ] - [ -0.0007599800000000, 0.0012445500000000, 0.0004653300000000 ] - [ -0.0029496400000000, 0.0006292800000000, -0.0002083600000000 ] - [ 0.0004118000000000, -0.0005340000000000, 0.0000474400000000 ] - [ -0.0002611100000000, -0.0006515100000000, 0.0000604300000000 ] - [ 0.0004242500000000, -0.0002518300000000, -0.0003757700000000 ] - [ 0.0004893100000000, 0.0001220700000000, -0.0000785200000000 ] - [ -0.0000355900000000, -0.0005338400000000, -0.0001353700000000 ] - [ -0.0008586700000000, -0.0009771000000000, 0.0001215700000000 ] - [ 0.0011553200000000, 0.0002863500000000, -0.0002686400000000 ] - [ -0.0000803700000000, -0.0002437400000000, -0.0031937800000000 ] - [ -0.0002791500000000, 0.0000945800000000, -0.0004787500000000 ] - [ -0.0000692400000000, 0.0004565000000000, -0.0001051800000000 ] - [ -0.0002601400000000, 0.0010028700000000, -0.0005205100000000 ] - [ 0.0003983500000000, 0.0002016300000000, 0.0003329800000000 ] - [ -0.0008152200000000, -0.0003692300000000, 0.0002332300000000 ] - [ -0.0051918800000000, 0.0030359400000000, -0.0003176100000000 ] - [ 0.0004175100000000, -0.0031093000000000, -0.0006989800000000 ] - [ 0.0004811500000000, 0.0004013400000000, 0.0000324400000000 ] - [ -0.0009628100000000, 0.0008329800000000, 0.0001371100000000 ] - [ -0.0000357100000000, 0.0023033400000000, -0.0038792900000000 ] - [ 0.0001691900000000, -0.0002910800000000, 0.0000071900000000 ] - [ -0.0028738800000000, 0.0000428200000000, 0.0035064900000000 ] - [ 0.0000227500000000, -0.0001354600000000, -0.0008538500000000 ] - [ 0.0002482200000000, -0.0000740500000000, -0.0000625300000000 ] - [ 0.0000574200000000, -0.0003693200000000, -0.0010563800000000 ] - [ 0.0048369600000000, 0.0035201200000000, 0.0028225600000000 ] - [ 0.0002383700000000, 0.0012694500000000, -0.0002487000000000 ] - [ -0.0007506000000000, -0.0001333200000000, -0.0001832800000000 ] - [ 0.0723819900000000, -0.1462453800000000, 0.0846357600000000 ] - [ 0.0011369300000000, 0.0011136900000000, -0.0002120600000000 ] - [ -0.0006028700000000, -0.0009378300000000, 0.0004093900000000 ] - [ 0.0010628300000000, 0.0005281500000000, -0.0002415500000000 ] - [ -0.0009154900000000, -0.0001726100000000, 0.0003488600000000 ] - [ -0.0006530100000000, 0.0006660900000000, -0.0000000800000000 ] - [ 0.0016169100000000, 0.0004420500000000, 0.0007721800000000 ] - [ 0.0048232200000000, -0.0081070400000000, 0.0037178900000000 ] - [ -0.0016320700000000, -0.0015411400000000, 0.0000346900000000 ] - [ -0.0007903200000000, 0.0000140900000000, 0.0001629200000000 ] - [ 0.0004174500000000, 0.0007694400000000, -0.0000692800000000 ] - [ -0.0007092900000000, 0.0003352500000000, 0.0000888200000000 ] - [ -0.0004726100000000, 0.0013367800000000, 0.0003576100000000 ] - [ -0.0010883900000000, -0.0001237200000000, -0.0007765900000000 ] - [ 0.0006260300000000, 0.0006570900000000, -0.0001010400000000 ] - [ -0.0005934700000000, -0.0006251100000000, -0.0003067300000000 ] - [ -0.0000654000000000, -0.0010718700000000, 0.0005074200000000 ] - [ 0.0004858600000000, 0.0005826900000000, -0.0001932000000000 ] - [ -0.0007311500000000, -0.0003669300000000, 0.0002366600000000 ] - [ -0.0009063300000000, -0.0014850600000000, 0.0014631300000000 ] - [ 0.0006097400000000, 0.0003966100000000, 0.0001675000000000 ] - [ -0.0001263000000000, 0.0008422600000000, -0.0000661100000000 ] - [ -0.0002986900000000, -0.0001466600000000, -0.0001530400000000 ] - [ 0.0004728600000000, -0.0004548000000000, -0.0009484000000000 ] - [ -0.0001649800000000, 0.0004844000000000, -0.0001500800000000 ] - [ -0.0004715900000000, -0.0001617200000000, -0.0000638100000000 ] - [ 0.0012253800000000, -0.0003408700000000, 0.0003644200000000 ] - [ -0.0003005000000000, 0.0015633600000000, 0.0002094800000000 ] - [ -0.0016838200000000, 0.0010994100000000, 0.0006503500000000 ] - [ -0.0003828400000000, 0.0009410500000000, 0.0001891200000000 ] - [ -0.0011821000000000, -0.0005223700000000, -0.0005953800000000 ] - [ -0.0000242500000000, 0.0006519900000000, 0.0000102700000000 ] - [ 0.0010473100000000, 0.0000170100000000, 0.0001545900000000 ] - [ -0.0122410300000000, 0.0016629000000000, -0.0135787000000000 ] - [ 0.0011299800000000, 0.0059003300000000, 0.0035600800000000 ] - [ 0.0005393000000000, 0.0003257900000000, -0.0001235400000000 ] - [ 0.0005610700000000, -0.0007045800000000, 0.0003419300000000 ] - [ -0.0026753100000000, 0.0005796900000000, -0.0005688500000000 ] - [ -0.0006802500000000, -0.0006761400000000, 0.0005090400000000 ] - [ 0.0008981100000000, 0.0016624400000000, 0.0008283300000000 ] - [ -0.0011397600000000, 0.0012791300000000, -0.0004234300000000 ] - [ -0.0016029000000000, 0.0010072500000000, 0.0009829400000000 ] - [ 0.0001890900000000, 0.0004982500000000, 0.0002010500000000 ] - [ -0.0007830200000000, 0.0010203800000000, 0.0003498000000000 ] - [ -0.0011807000000000, 0.0008191500000000, -0.0009237800000000 ] - [ -0.0008815300000000, -0.0002715500000000, 0.0000041200000000 ] - [ 0.0039374000000000, 0.0119662000000000, -0.0102385400000000 ] - [ -0.0002092200000000, 0.0019547200000000, -0.0001026700000000 ] - [ -0.0003886000000000, 0.0003586700000000, 0.0000135500000000 ] - [ -0.0002919800000000, 0.0010243500000000, -0.0017034700000000 ] - [ -0.0002348200000000, 0.0007048100000000, 0.0004601100000000 ] - [ 0.0002346800000000, 0.0009118000000000, 0.0000761000000000 ] - [ -0.0010935300000000, -0.0023497700000000, 0.0006882900000000 ] - [ -0.0099203700000000, 0.0190005500000000, 0.0275688100000000 ] - [ 0.0038300500000000, 0.0026225300000000, 0.0005870300000000 ] - [ 0.0009080000000000, -0.0001441000000000, -0.0002595100000000 ] - [ -0.0005568500000000, -0.0003925900000000, 0.0000006400000000 ] - [ -0.0013637400000000, 0.0009918000000000, 0.0002769500000000 ] - [ 0.0007630100000000, 0.0001592500000000, -0.0000355100000000 ] - [ 0.0000430500000000, -0.0005442600000000, 0.0002128000000000 ] - [ 0.0004699100000000, -0.0007540100000000, -0.0001702500000000 ] - [ -0.0003594100000000, -0.0009761000000000, 0.0000743800000000 ] - [ 0.0008195500000000, -0.0006100400000000, 0.0007101800000000 ] - [ 0.0007685500000000, -0.0015965700000000, -0.0002987400000000 ] - [ 0.0026189300000000, -0.0052433300000000, -0.0005326200000000 ] - [ 0.0013514300000000, -0.0000905700000000, 0.0001319400000000 ] - [ -0.0012794000000000, 0.0001214300000000, 0.0000535200000000 ] - [ 0.0004959400000000, 0.0005465600000000, -0.0031043300000000 ] - [ 0.0040088100000000, 0.0013288600000000, 0.0045962600000000 ] - [ 0.0017895800000000, 0.0006911300000000, -0.0011263800000000 ] - [ -0.0015202400000000, -0.0000611100000000, -0.0001471000000000 ] - [ 0.0011737700000000, 0.0005024600000000, 0.0039948800000000 ] - [ -0.0058559000000000, 0.0032263300000000, -0.0002011800000000 ] - [ 0.0016168200000000, 0.0002529200000000, 0.0006656300000000 ] - [ -0.0003347200000000, -0.0010616100000000, 0.0001446300000000 ] - [ -0.0006919900000000, -0.0010610500000000, -0.0002145100000000 ] - [ 0.0012176700000000, 0.0014950900000000, -0.0018164600000000 ] - [ 0.0023615300000000, -0.0000695200000000, -0.0001510300000000 ] - [ 0.0002281900000000, -0.0020429600000000, 0.0001379600000000 ] - [ -0.0007354500000000, -0.0010608400000000, 0.0019672300000000 ] - [ 0.0009785300000000, 0.0000514400000000, 0.0000912400000000 ] - [ 0.0033805700000000, -0.0037681200000000, -0.0003573700000000 ] - [ 0.0021411700000000, -0.0017066200000000, 0.0000112100000000 ] - [ -0.0008926100000000, -0.0018921700000000, -0.0012101800000000 ] - [ 0.0008285000000000, 0.0018019000000000, -0.0009333800000000 ] - [ -0.0033050500000000, -0.0049039300000000, -0.0004923600000000 ] - [ -0.0512418500000000, 0.0974602200000000, -0.0953140600000000 ]- atom: 40 displacement: [ 0.0049999999943570, -0.0086602540411024, 0.0000000000000000 ] forces: - [ -0.0002180900000000, 0.0008273700000000, -0.0000392800000000 ] - [ 0.0005803500000000, 0.0002006100000000, -0.0000800600000000 ] - [ 0.0061976000000000, -0.0146828500000000, -0.0002834400000000 ] - [ -0.0017933900000000, -0.0002591300000000, 0.0013725900000000 ] - [ -0.0001114100000000, 0.0005825900000000, 0.0004366900000000 ] - [ -0.0004763100000000, 0.0001944200000000, 0.0002009000000000 ] - [ -0.0001874700000000, -0.0003901000000000, -0.0001226600000000 ] - [ -0.0005077100000000, -0.0004104800000000, -0.0001458800000000 ] - [ -0.0004835800000000, -0.0000927600000000, -0.0001069600000000 ] - [ 0.0003080200000000, 0.0002351500000000, -0.0000198600000000 ] - [ 0.0002081500000000, 0.0004235800000000, 0.0001617600000000 ] - [ 0.0008708600000000, -0.0012067200000000, -0.0004760000000000 ] - [ 0.0029258900000000, -0.0004912000000000, 0.0001520400000000 ] - [ -0.0006501600000000, 0.0007067600000000, -0.0002257600000000 ] - [ 0.0001533300000000, 0.0003488000000000, -0.0002381400000000 ] - [ -0.0001519200000000, 0.0002810500000000, 0.0001985900000000 ] - [ -0.0005220900000000, -0.0001625900000000, 0.0000232900000000 ] - [ 0.0001659000000000, 0.0005746800000000, 0.0000917100000000 ] - [ 0.0009335500000000, 0.0009911400000000, -0.0000387100000000 ] - [ -0.0012016700000000, -0.0002344600000000, 0.0003446800000000 ] - [ 0.0000414200000000, 0.0002036900000000, 0.0032770300000000 ] - [ 0.0001696000000000, -0.0005430600000000, 0.0001337900000000 ] - [ 0.0005161900000000, -0.0003338100000000, -0.0002431900000000 ] - [ -0.0000736000000000, -0.0006872600000000, 0.0001735900000000 ] - [ -0.0003344400000000, -0.0004986600000000, 0.0002266500000000 ] - [ 0.0005292200000000, 0.0004622200000000, 0.0003367100000000 ] - [ 0.0054714400000000, -0.0034268800000000, 0.0000898000000000 ] - [ -0.0001947400000000, 0.0033110700000000, 0.0012575300000000 ] - [ -0.0008764300000000, -0.0003826800000000, -0.0002582400000000 ] - [ 0.0011545400000000, -0.0004386800000000, -0.0003642900000000 ] - [ 0.0003960200000000, -0.0027594500000000, 0.0038315200000000 ] - [ -0.0007394100000000, 0.0002179000000000, -0.0000807000000000 ] - [ 0.0030764800000000, 0.0004804400000000, -0.0035744600000000 ] - [ -0.0001927000000000, -0.0002595800000000, 0.0008446700000000 ] - [ -0.0004939500000000, 0.0003690400000000, 0.0000382100000000 ] - [ 0.0003114000000000, 0.0004320900000000, 0.0010222700000000 ] - [ -0.0049545200000000, -0.0033060400000000, -0.0030772800000000 ] - [ 0.0000208600000000, -0.0012850200000000, -0.0000168000000000 ] - [ 0.0006292000000000, -0.0001540100000000, -0.0000828800000000 ] - [ -0.0724691000000000, 0.1463856300000000, -0.0812641300000000 ] - [ -0.0009813300000000, -0.0010945600000000, 0.0002906400000000 ] - [ 0.0005716600000000, 0.0008299300000000, -0.0003167000000000 ] - [ -0.0010128000000000, -0.0005142800000000, 0.0003048700000000 ] - [ 0.0008799300000000, 0.0002043500000000, -0.0002929300000000 ] - [ 0.0006431900000000, -0.0007145200000000, 0.0000586600000000 ] - [ -0.0017172100000000, -0.0008911000000000, -0.0011112200000000 ] - [ -0.0043662600000000, 0.0082098500000000, -0.0040491000000000 ] - [ 0.0012835000000000, 0.0018387400000000, -0.0003758800000000 ] - [ 0.0008570400000000, -0.0002994800000000, 0.0004210000000000 ] - [ -0.0006977800000000, -0.0006861200000000, 0.0006611800000000 ] - [ 0.0009631000000000, -0.0007002900000000, -0.0003476300000000 ] - [ 0.0006948900000000, -0.0011526400000000, 0.0002235600000000 ] - [ 0.0007003200000000, 0.0001392200000000, 0.0005277100000000 ] - [ -0.0004436300000000, -0.0002641900000000, -0.0001553500000000 ] - [ 0.0009248500000000, 0.0001580900000000, 0.0002492900000000 ] - [ -0.0005199800000000, 0.0010391700000000, -0.0005695400000000 ] - [ -0.0002486500000000, -0.0000643800000000, 0.0001433100000000 ] - [ 0.0005593200000000, -0.0000380200000000, -0.0001811700000000 ] - [ 0.0006475800000000, 0.0017939700000000, -0.0014087900000000 ] - [ -0.0002433600000000, -0.0003338400000000, -0.0001230700000000 ] - [ 0.0000104600000000, -0.0006093900000000, -0.0001622700000000 ] - [ 0.0005673300000000, 0.0001241100000000, -0.0000768700000000 ] - [ -0.0006096700000000, 0.0001580100000000, 0.0007157200000000 ] - [ 0.0000562100000000, -0.0003809300000000, 0.0002203800000000 ] - [ 0.0006224700000000, 0.0002048700000000, 0.0001324000000000 ] - [ -0.0012402000000000, 0.0002281500000000, -0.0002850300000000 ] - [ 0.0003502300000000, -0.0015561500000000, -0.0000743800000000 ] - [ 0.0016515600000000, -0.0010688600000000, -0.0005224400000000 ] - [ 0.0003738100000000, -0.0009898700000000, -0.0000589900000000 ] - [ 0.0010931000000000, 0.0000830900000000, 0.0002472600000000 ] - [ 0.0004559400000000, -0.0005137000000000, -0.0003637300000000 ] - [ -0.0013917300000000, 0.0002758900000000, -0.0005053500000000 ] - [ 0.0120747000000000, -0.0019253900000000, 0.0138913300000000 ] - [ -0.0014045300000000, -0.0058319700000000, -0.0030381500000000 ] - [ -0.0002926200000000, -0.0006804000000000, -0.0000799300000000 ] - [ -0.0003344400000000, 0.0008803200000000, 0.0001951900000000 ] - [ 0.0022811300000000, -0.0005664500000000, 0.0003655000000000 ] - [ 0.0008551900000000, 0.0010766900000000, -0.0007146100000000 ] - [ -0.0005576900000000, -0.0021150900000000, -0.0008336600000000 ] - [ 0.0005681900000000, -0.0013329400000000, 0.0004143800000000 ] - [ 0.0018338200000000, -0.0004925700000000, -0.0009894800000000 ] - [ -0.0003550300000000, -0.0008891900000000, -0.0001811500000000 ] - [ 0.0005463900000000, -0.0007347200000000, -0.0003328200000000 ] - [ 0.0015393300000000, -0.0007645700000000, 0.0009413100000000 ] - [ 0.0007600600000000, 0.0005079900000000, -0.0002685800000000 ] - [ -0.0035552600000000, -0.0118049000000000, 0.0097841400000000 ] - [ 0.0000740100000000, -0.0022587100000000, -0.0001642300000000 ] - [ 0.0002834400000000, -0.0002477800000000, 0.0001038400000000 ] - [ 0.0004483100000000, -0.0009900200000000, 0.0018188400000000 ] - [ 0.0002159500000000, -0.0008183400000000, -0.0003344000000000 ] - [ -0.0005618400000000, -0.0006909300000000, 0.0000102900000000 ] - [ 0.0010420600000000, 0.0019578800000000, -0.0006054800000000 ] - [ 0.0103475600000000, -0.0189119400000000, -0.0267908600000000 ] - [ -0.0040183500000000, -0.0024887700000000, -0.0005258800000000 ] - [ -0.0009514600000000, -0.0000834900000000, 0.0003167400000000 ] - [ 0.0007921900000000, 0.0004826300000000, 0.0000508900000000 ] - [ 0.0010494600000000, -0.0008108700000000, -0.0002108200000000 ] - [ -0.0007853900000000, -0.0005290100000000, 0.0000966100000000 ] - [ 0.0002715300000000, 0.0007155200000000, -0.0001503500000000 ] - [ -0.0007368300000000, 0.0009235600000000, 0.0002413100000000 ] - [ 0.0003511400000000, 0.0006711300000000, -0.0000047200000000 ] - [ -0.0005356100000000, 0.0007672800000000, -0.0006492300000000 ] - [ -0.0011012600000000, 0.0017811900000000, 0.0004193700000000 ] - [ -0.0026279200000000, 0.0048545600000000, 0.0006503000000000 ] - [ -0.0010321900000000, 0.0002711200000000, -0.0000137100000000 ] - [ 0.0010434500000000, 0.0000366700000000, -0.0000397200000000 ] - [ -0.0004963400000000, -0.0008582200000000, 0.0031294900000000 ] - [ -0.0037417700000000, -0.0011882800000000, -0.0045654300000000 ] - [ -0.0014235000000000, -0.0006684800000000, 0.0009149200000000 ] - [ 0.0013075900000000, 0.0003678300000000, -0.0000755400000000 ] - [ -0.0013461000000000, -0.0008555000000000, -0.0042610900000000 ] - [ 0.0054791000000000, -0.0035035800000000, 0.0004023000000000 ] - [ -0.0011894100000000, -0.0004412300000000, -0.0004625000000000 ] - [ 0.0002867200000000, 0.0015625400000000, 0.0000580700000000 ] - [ 0.0010840300000000, 0.0010900300000000, -0.0000091900000000 ] - [ -0.0014260000000000, -0.0012044200000000, 0.0015929900000000 ] - [ -0.0025266800000000, -0.0002745900000000, -0.0000773900000000 ] - [ -0.0006295600000000, 0.0018001300000000, 0.0001126700000000 ] - [ 0.0011261200000000, 0.0008640700000000, -0.0017024100000000 ] - [ -0.0009978100000000, 0.0004219300000000, 0.0001677800000000 ] - [ -0.0029966500000000, 0.0038112800000000, 0.0001986900000000 ] - [ -0.0023638200000000, 0.0020161900000000, -0.0001727100000000 ] - [ 0.0007190100000000, 0.0015452200000000, 0.0010424500000000 ] - [ -0.0012288800000000, -0.0020536700000000, 0.0011359200000000 ] - [ 0.0037115500000000, 0.0047117000000000, 0.0007098000000000 ] - [ 0.0506636800000000, -0.0957393600000000, 0.0917980600000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001730200000000, 0.0003227300000000, 0.0001983400000000 ] - [ -0.0000683000000000, 0.0001321100000000, 0.0001176900000000 ] - [ -0.0002970300000000, 0.0000370900000000, 0.0051791700000000 ] - [ 0.0003561900000000, -0.0005790400000000, 0.0031941500000000 ] - [ 0.0011640500000000, -0.0013597200000000, 0.0005790300000000 ] - [ -0.0000670600000000, 0.0001220200000000, 0.0001929100000000 ] - [ -0.0000043300000000, 0.0000752600000000, -0.0005979600000000 ] - [ -0.0008260900000000, 0.0001087700000000, -0.0010119000000000 ] - [ 0.0002404200000000, -0.0001172800000000, -0.0000966400000000 ] - [ -0.0001088900000000, -0.0003538200000000, -0.0001380600000000 ] - [ 0.0000936700000000, 0.0000549900000000, -0.0004058800000000 ] - [ -0.0006004700000000, 0.0011755600000000, -0.0059627200000000 ] - [ 0.0022664800000000, 0.0007212200000000, 0.0008461100000000 ] - [ -0.0004956300000000, 0.0004496200000000, -0.0002778900000000 ] - [ 0.0000446200000000, 0.0000936100000000, -0.0002599600000000 ] - [ 0.0003980000000000, -0.0003304500000000, -0.0000915300000000 ] - [ -0.0000430800000000, -0.0000813300000000, 0.0002344000000000 ] - [ -0.0000276500000000, -0.0000396500000000, 0.0000947700000000 ] - [ -0.0010643200000000, -0.0008104000000000, 0.0013741500000000 ] - [ -0.0005818200000000, -0.0001980200000000, 0.0003673100000000 ] - [ 0.0021401900000000, -0.0039191000000000, 0.0122365700000000 ] - [ 0.0001383900000000, 0.0000796700000000, 0.0011595600000000 ] - [ 0.0002122100000000, 0.0000381200000000, -0.0000300800000000 ] - [ -0.0001469500000000, -0.0003341700000000, 0.0002345000000000 ] - [ 0.0002692800000000, -0.0000817200000000, 0.0001933700000000 ] - [ -0.0000544600000000, 0.0001577600000000, 0.0001268300000000 ] - [ 0.0013113900000000, -0.0011896000000000, -0.0011618200000000 ] - [ 0.0033605700000000, 0.0013516500000000, 0.0006483300000000 ] - [ -0.0005702800000000, 0.0001591800000000, -0.0004603800000000 ] - [ 0.0006052900000000, 0.0000818900000000, -0.0008888700000000 ] - [ 0.0008015600000000, -0.0042494300000000, 0.0022233600000000 ] - [ -0.0004953700000000, -0.0002305400000000, -0.0000293600000000 ] - [ -0.0088609400000000, 0.0028253700000000, 0.0077200200000000 ] - [ -0.0004639600000000, -0.0010882400000000, 0.0043400500000000 ] - [ -0.0002053500000000, 0.0002174700000000, 0.0004948500000000 ] - [ 0.0010704400000000, -0.0001337800000000, 0.0043844800000000 ] - [ 0.0057928200000000, 0.0111036800000000, 0.0032903700000000 ] - [ 0.0001774400000000, -0.0005358200000000, -0.0002558400000000 ] - [ 0.0000037400000000, -0.0002322500000000, -0.0002211000000000 ] - [ -0.0372835500000000, 0.0693998200000000, -0.2549782200000000 ] - [ 0.0004418900000000, -0.0000692800000000, -0.0011014400000000 ] - [ 0.0001099500000000, 0.0001636500000000, -0.0010953400000000 ] - [ -0.0006501200000000, -0.0005437500000000, 0.0004504400000000 ] - [ -0.0007994800000000, -0.0000039600000000, 0.0003108700000000 ] - [ 0.0003917200000000, -0.0003115800000000, 0.0001248500000000 ] - [ 0.0003164500000000, 0.0001865900000000, -0.0000386700000000 ] - [ 0.0011863100000000, -0.0012904300000000, 0.0243056200000000 ] - [ 0.0010179900000000, 0.0011270300000000, -0.0002580700000000 ] - [ 0.0002451200000000, -0.0001495600000000, 0.0005864600000000 ] - [ -0.0005145000000000, -0.0004613500000000, 0.0009400400000000 ] - [ -0.0013617400000000, 0.0013015500000000, 0.0013660100000000 ] - [ 0.0002221600000000, -0.0000146200000000, 0.0006214400000000 ] - [ 0.0016656200000000, -0.0010800500000000, 0.0007542400000000 ] - [ -0.0001225900000000, 0.0001775700000000, -0.0000172900000000 ] - [ 0.0003596000000000, -0.0000683500000000, 0.0004455700000000 ] - [ -0.0008193100000000, -0.0004215700000000, 0.0012218000000000 ] - [ 0.0000012800000000, 0.0002208200000000, 0.0003265700000000 ] - [ 0.0001875900000000, -0.0001690800000000, -0.0002075700000000 ] - [ -0.0021533600000000, 0.0000386700000000, -0.0006397300000000 ] - [ 0.0001856200000000, 0.0000634600000000, -0.0003561700000000 ] - [ -0.0000651500000000, -0.0000326000000000, 0.0001011100000000 ] - [ 0.0001424300000000, 0.0000405000000000, 0.0000808000000000 ] - [ -0.0003924900000000, -0.0009676600000000, 0.0019727000000000 ] - [ -0.0000393000000000, 0.0000099700000000, 0.0001727200000000 ] - [ 0.0004739900000000, -0.0000300700000000, 0.0003573200000000 ] - [ 0.0015674900000000, 0.0010674900000000, 0.0021646500000000 ] - [ -0.0000496100000000, -0.0005363000000000, -0.0002667400000000 ] - [ 0.0007900000000000, -0.0003631100000000, -0.0012811200000000 ] - [ 0.0000207800000000, -0.0002407200000000, -0.0003848300000000 ] - [ 0.0004188600000000, -0.0002895900000000, -0.0004199800000000 ] - [ 0.0004101000000000, -0.0001209800000000, -0.0004679100000000 ] - [ 0.0008276000000000, 0.0013800600000000, -0.0023131800000000 ] - [ 0.0122023500000000, -0.0051409200000000, 0.0024098300000000 ] - [ 0.0005624000000000, 0.0039857500000000, -0.0008721200000000 ] - [ 0.0000124600000000, -0.0002736100000000, -0.0000317900000000 ] - [ 0.0001925500000000, 0.0003401900000000, 0.0000235800000000 ] - [ 0.0015105200000000, -0.0004268100000000, 0.0005070400000000 ] - [ -0.0020251700000000, 0.0005515200000000, 0.0004610300000000 ] - [ -0.0005174300000000, -0.0018888300000000, -0.0010591100000000 ] - [ -0.0000764300000000, -0.0002851300000000, -0.0001599600000000 ] - [ 0.0005663700000000, 0.0000761100000000, -0.0005674200000000 ] - [ -0.0001876600000000, 0.0005608900000000, -0.0006502500000000 ] - [ 0.0002034000000000, -0.0000873700000000, -0.0005506300000000 ] - [ 0.0004502200000000, -0.0002392400000000, -0.0001408000000000 ] - [ 0.0002838800000000, 0.0002547900000000, -0.0003694100000000 ] - [ -0.0004863000000000, -0.0135464300000000, -0.0004232500000000 ] - [ -0.0000080800000000, 0.0006850500000000, -0.0002614100000000 ] - [ 0.0000597200000000, -0.0000933300000000, 0.0001969300000000 ] - [ 0.0004023000000000, -0.0009456900000000, 0.0021866800000000 ] - [ -0.0000221900000000, 0.0000627000000000, 0.0003895700000000 ] - [ 0.0003768700000000, 0.0004067000000000, 0.0007681800000000 ] - [ 0.0010566700000000, 0.0015614000000000, 0.0005554400000000 ] - [ -0.0095080100000000, 0.0170300700000000, 0.0428739100000000 ] - [ -0.0020574800000000, 0.0002142900000000, 0.0031486900000000 ] - [ -0.0003776400000000, -0.0001419400000000, 0.0004839000000000 ] - [ -0.0001813800000000, -0.0007029400000000, 0.0004312600000000 ] - [ 0.0006667900000000, 0.0008411000000000, -0.0021696500000000 ] - [ 0.0000664900000000, -0.0003201700000000, -0.0005729700000000 ] - [ 0.0001346200000000, 0.0001934200000000, -0.0003282700000000 ] - [ -0.0003658400000000, -0.0007265600000000, -0.0000095700000000 ] - [ 0.0002559500000000, -0.0002156500000000, -0.0003697500000000 ] - [ -0.0005883300000000, 0.0008133300000000, -0.0002959300000000 ] - [ 0.0001359900000000, 0.0002870500000000, 0.0002694600000000 ] - [ -0.0026366100000000, 0.0046019400000000, 0.0011367400000000 ] - [ -0.0001315500000000, 0.0000802100000000, 0.0000933300000000 ] - [ -0.0003523900000000, -0.0000444400000000, -0.0002934900000000 ] - [ 0.0037729200000000, -0.0085814700000000, -0.0034298100000000 ] - [ -0.0038000500000000, -0.0003719400000000, -0.0048064200000000 ] - [ 0.0026312300000000, 0.0001370300000000, -0.0082030900000000 ] - [ 0.0004988800000000, 0.0002694600000000, -0.0005885200000000 ] - [ -0.0036542300000000, 0.0073449000000000, -0.0061727600000000 ] - [ -0.0080347200000000, -0.0040592600000000, 0.0011086600000000 ] - [ -0.0002501600000000, 0.0000118900000000, 0.0000457000000000 ] - [ -0.0002976900000000, 0.0006249800000000, 0.0003489700000000 ] - [ 0.0008247600000000, 0.0004351100000000, -0.0001586300000000 ] - [ 0.0027789400000000, 0.0008838000000000, -0.0014663800000000 ] - [ -0.0014890500000000, -0.0003591700000000, -0.0002903800000000 ] - [ -0.0002640900000000, 0.0001904500000000, -0.0006419700000000 ] - [ 0.0006054200000000, 0.0006451200000000, -0.0032564300000000 ] - [ -0.0001909400000000, 0.0002823400000000, -0.0000947300000000 ] - [ -0.0004408800000000, 0.0010947000000000, 0.0004506100000000 ] - [ -0.0010704600000000, 0.0006777600000000, 0.0007029100000000 ] - [ 0.0005405200000000, 0.0001110200000000, 0.0020384700000000 ] - [ -0.0011252300000000, -0.0008397900000000, 0.0015139500000000 ] - [ -0.0018231800000000, -0.0019697500000000, 0.0011077900000000 ] - [ 0.0391478300000000, -0.0754506300000000, 0.1649650300000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001398000000000, -0.0002695000000000, 0.0000973600000000 ] - [ -0.0002002900000000, 0.0000415200000000, -0.0003406600000000 ] - [ 0.0001712000000000, -0.0002883000000000, -0.0053792100000000 ] - [ -0.0000790300000000, 0.0006477000000000, -0.0034302200000000 ] - [ -0.0011264700000000, 0.0013609600000000, -0.0002876600000000 ] - [ 0.0001373500000000, -0.0000313300000000, 0.0001084900000000 ] - [ 0.0000014100000000, 0.0000495300000000, 0.0005992000000000 ] - [ 0.0006111100000000, 0.0000401500000000, 0.0010576800000000 ] - [ -0.0003431300000000, -0.0001537200000000, 0.0001335400000000 ] - [ 0.0003496900000000, 0.0003727200000000, 0.0001726300000000 ] - [ -0.0001267500000000, -0.0000717100000000, 0.0004029800000000 ] - [ 0.0007276100000000, -0.0011691300000000, 0.0059923600000000 ] - [ -0.0022854000000000, -0.0005851300000000, -0.0009025000000000 ] - [ 0.0002577100000000, -0.0002764100000000, 0.0000991100000000 ] - [ -0.0001527000000000, -0.0003966600000000, 0.0000815900000000 ] - [ -0.0001280500000000, 0.0003638800000000, -0.0000887500000000 ] - [ 0.0000104000000000, 0.0000414800000000, -0.0002919700000000 ] - [ 0.0001576400000000, 0.0000795400000000, -0.0001389600000000 ] - [ 0.0011357600000000, 0.0008193000000000, -0.0012930700000000 ] - [ 0.0005345200000000, 0.0002494900000000, -0.0002952100000000 ] - [ -0.0021591300000000, 0.0038480600000000, -0.0120701300000000 ] - [ -0.0002499400000000, -0.0005262700000000, -0.0015054600000000 ] - [ 0.0002345100000000, 0.0000842500000000, -0.0003175700000000 ] - [ -0.0001853400000000, 0.0006493800000000, -0.0005814600000000 ] - [ -0.0002030300000000, -0.0002150100000000, 0.0003656100000000 ] - [ -0.0002345300000000, -0.0000678100000000, 0.0004401300000000 ] - [ -0.0010846900000000, 0.0008383800000000, 0.0009288100000000 ] - [ -0.0031276100000000, -0.0011510000000000, -0.0000971300000000 ] - [ 0.0001735100000000, -0.0001397200000000, 0.0002346800000000 ] - [ -0.0004141900000000, 0.0003151000000000, 0.0006614900000000 ] - [ -0.0004435300000000, 0.0037798600000000, -0.0022955100000000 ] - [ -0.0000743900000000, 0.0001567100000000, -0.0000452500000000 ] - [ 0.0090452500000000, -0.0022717500000000, -0.0077828900000000 ] - [ 0.0003002500000000, 0.0006755500000000, -0.0043733900000000 ] - [ -0.0000392700000000, 0.0000739600000000, -0.0005193200000000 ] - [ -0.0007153200000000, 0.0002016900000000, -0.0044182700000000 ] - [ -0.0059332600000000, -0.0108340700000000, -0.0035488800000000 ] - [ 0.0000808400000000, 0.0005224200000000, -0.0000111000000000 ] - [ -0.0001268600000000, -0.0000552000000000, -0.0000467000000000 ] - [ 0.0410579300000000, -0.0769855700000000, 0.2598862100000000 ] - [ -0.0002832100000000, 0.0000937500000000, 0.0011808200000000 ] - [ -0.0001400900000000, -0.0002724200000000, 0.0011868400000000 ] - [ 0.0007000100000000, 0.0005596900000000, -0.0003843200000000 ] - [ 0.0007696400000000, 0.0000374000000000, -0.0002539200000000 ] - [ -0.0004000200000000, 0.0002620600000000, -0.0000668200000000 ] - [ -0.0004092200000000, -0.0006357300000000, -0.0002910500000000 ] - [ -0.0007572900000000, 0.0014264000000000, -0.0253781100000000 ] - [ -0.0013629900000000, -0.0008252100000000, -0.0000773900000000 ] - [ -0.0001760800000000, -0.0001378900000000, -0.0000042100000000 ] - [ 0.0002349400000000, 0.0005504500000000, -0.0003490200000000 ] - [ 0.0016054900000000, -0.0016543900000000, -0.0016217600000000 ] - [ -0.0000002600000000, 0.0002013300000000, -0.0000411400000000 ] - [ -0.0020453400000000, 0.0010923300000000, -0.0010116400000000 ] - [ 0.0003038900000000, 0.0002153500000000, -0.0002393600000000 ] - [ -0.0000280300000000, -0.0003980000000000, -0.0005012000000000 ] - [ 0.0002477500000000, 0.0003931000000000, -0.0012836300000000 ] - [ 0.0002364200000000, 0.0002975200000000, -0.0003759400000000 ] - [ -0.0003580200000000, -0.0002337700000000, 0.0002632300000000 ] - [ 0.0019031600000000, 0.0002662900000000, 0.0007174600000000 ] - [ 0.0001797700000000, 0.0000001400000000, 0.0004007800000000 ] - [ -0.0000498700000000, 0.0002634400000000, -0.0003291300000000 ] - [ 0.0001250200000000, -0.0000648900000000, -0.0003111400000000 ] - [ 0.0002549000000000, 0.0006893400000000, -0.0022069900000000 ] - [ -0.0000710200000000, 0.0000958900000000, -0.0001034000000000 ] - [ -0.0003210000000000, 0.0000727000000000, -0.0002915200000000 ] - [ -0.0015820900000000, -0.0011825700000000, -0.0020880900000000 ] - [ 0.0001003800000000, 0.0005561400000000, 0.0004017500000000 ] - [ -0.0008226000000000, 0.0003937800000000, 0.0014089800000000 ] - [ -0.0000302600000000, 0.0001914600000000, 0.0005150400000000 ] - [ -0.0005134400000000, -0.0001519200000000, 0.0000726100000000 ] - [ 0.0000212200000000, 0.0002607700000000, 0.0001169200000000 ] - [ -0.0011727100000000, -0.0010896100000000, 0.0019628100000000 ] - [ -0.0123396100000000, 0.0049376500000000, -0.0018414600000000 ] - [ -0.0008386200000000, -0.0038881700000000, 0.0014440500000000 ] - [ 0.0002346500000000, -0.0000790400000000, -0.0001714400000000 ] - [ 0.0000344700000000, -0.0001635200000000, 0.0005129400000000 ] - [ -0.0019010600000000, 0.0004372800000000, -0.0007078300000000 ] - [ 0.0022263200000000, -0.0001560400000000, -0.0006599300000000 ] - [ 0.0008585000000000, 0.0014399900000000, 0.0010552200000000 ] - [ -0.0004952100000000, 0.0002348800000000, 0.0001523800000000 ] - [ -0.0003472800000000, 0.0004437600000000, 0.0005720400000000 ] - [ 0.0000229800000000, -0.0009479400000000, 0.0006682900000000 ] - [ -0.0004387000000000, 0.0003733700000000, 0.0005655500000000 ] - [ -0.0001043700000000, 0.0003011700000000, 0.0001442200000000 ] - [ -0.0004040000000000, -0.0000188700000000, 0.0001050800000000 ] - [ 0.0007800000000000, 0.0137306200000000, 0.0001855700000000 ] - [ -0.0001257000000000, -0.0009788400000000, -0.0000067100000000 ] - [ -0.0001654000000000, 0.0002038900000000, -0.0000783400000000 ] - [ -0.0002461900000000, 0.0009815900000000, -0.0020655300000000 ] - [ 0.0000032000000000, -0.0001780000000000, -0.0002597000000000 ] - [ -0.0007022400000000, -0.0001838300000000, -0.0006788200000000 ] - [ -0.0011082900000000, -0.0019566800000000, -0.0004654500000000 ] - [ 0.0090642400000000, -0.0152563500000000, -0.0397379600000000 ] - [ 0.0019040600000000, -0.0000566200000000, -0.0030850900000000 ] - [ 0.0003347300000000, -0.0000858200000000, -0.0004266200000000 ] - [ 0.0004165700000000, 0.0007923600000000, -0.0003799200000000 ] - [ -0.0009856100000000, -0.0006716900000000, 0.0022374100000000 ] - [ -0.0000912100000000, -0.0000483000000000, 0.0006361600000000 ] - [ 0.0001802800000000, -0.0000222300000000, 0.0003900400000000 ] - [ 0.0000995100000000, 0.0008923100000000, 0.0000815000000000 ] - [ -0.0002645200000000, -0.0000908000000000, 0.0004407700000000 ] - [ 0.0008678300000000, -0.0006532500000000, 0.0003647900000000 ] - [ -0.0004673200000000, -0.0001070900000000, -0.0001542000000000 ] - [ 0.0026293000000000, -0.0049865900000000, -0.0010182500000000 ] - [ 0.0004563400000000, 0.0001000800000000, 0.0000232500000000 ] - [ 0.0001157600000000, 0.0002044000000000, 0.0003053900000000 ] - [ -0.0038311400000000, 0.0083937500000000, 0.0034266500000000 ] - [ 0.0040692300000000, 0.0005053600000000, 0.0048198000000000 ] - [ -0.0022738100000000, -0.0001093800000000, 0.0080082700000000 ] - [ -0.0007096300000000, 0.0000383000000000, 0.0003673100000000 ] - [ 0.0034688400000000, -0.0076786700000000, 0.0059534700000000 ] - [ 0.0076659800000000, 0.0037848000000000, -0.0009061600000000 ] - [ 0.0006808800000000, -0.0001971300000000, 0.0001639900000000 ] - [ 0.0002491000000000, -0.0001271300000000, -0.0001444700000000 ] - [ -0.0004357500000000, -0.0004103000000000, -0.0000671700000000 ] - [ -0.0030214500000000, -0.0006035000000000, 0.0012253600000000 ] - [ 0.0013214300000000, 0.0000129800000000, 0.0000598900000000 ] - [ -0.0001387300000000, -0.0004329600000000, 0.0008914200000000 ] - [ -0.0002067400000000, -0.0008526100000000, 0.0035169500000000 ] - [ 0.0001707300000000, 0.0001932700000000, 0.0003535500000000 ] - [ 0.0008424500000000, -0.0010766400000000, -0.0006136800000000 ] - [ 0.0008455300000000, -0.0003713300000000, -0.0008628700000000 ] - [ -0.0007131300000000, -0.0004586000000000, -0.0022081700000000 ] - [ 0.0007255500000000, 0.0005883000000000, -0.0013119200000000 ] - [ 0.0022163200000000, 0.0017640900000000, -0.0008945600000000 ] - [ -0.0419817100000000, 0.0814974100000000, -0.1721431100000000 ]- atom: 91 displacement: [ 0.0100000000000000, -0.0000000000071070, 0.0000000000000000 ] forces: - [ 0.0002950100000000, 0.0003418400000000, 0.0000156200000000 ] - [ -0.0004174200000000, -0.0027386400000000, -0.0024068800000000 ] - [ 0.0010846300000000, -0.0002140600000000, -0.0002184200000000 ] - [ 0.0002626900000000, 0.0029753200000000, -0.0021729900000000 ] - [ 0.0002804000000000, 0.0003870300000000, 0.0000278300000000 ] - [ 0.0027108800000000, 0.0066932100000000, 0.0002870000000000 ] - [ -0.0036691800000000, -0.0007107700000000, 0.0007642000000000 ] - [ 0.0020049000000000, 0.0000585600000000, -0.0002157300000000 ] - [ -0.0020651000000000, -0.0013835500000000, -0.0016533400000000 ] - [ 0.0005088300000000, -0.0009487800000000, -0.0000975400000000 ] - [ 0.0007839100000000, -0.0002518700000000, 0.0004690400000000 ] - [ 0.0009535400000000, 0.0001565300000000, 0.0002226600000000 ] - [ 0.0004114700000000, -0.0003125400000000, 0.0000391900000000 ] - [ -0.0002393200000000, 0.0002462300000000, 0.0000135000000000 ] - [ -0.0005254800000000, 0.0001557100000000, 0.0000314700000000 ] - [ 0.0006507500000000, 0.0002502900000000, -0.0000521600000000 ] - [ -0.0007622900000000, -0.0001884200000000, 0.0018322100000000 ] - [ 0.0001689500000000, -0.0003887300000000, 0.0001237600000000 ] - [ 0.0080342400000000, 0.0082729600000000, 0.0158592500000000 ] - [ -0.0022385400000000, 0.0016374800000000, -0.0009122000000000 ] - [ -0.0015952100000000, 0.0005348600000000, -0.0002855700000000 ] - [ -0.0004913200000000, -0.0007665200000000, -0.0004202600000000 ] - [ 0.0012481500000000, -0.0027767800000000, 0.0009744500000000 ] - [ -0.0008480100000000, -0.0004596800000000, 0.0002153500000000 ] - [ -0.0005355000000000, 0.0006224000000000, 0.0004844500000000 ] - [ 0.0008860700000000, 0.0100585900000000, -0.0006897300000000 ] - [ -0.0014450300000000, -0.0007520500000000, -0.0004159300000000 ] - [ -0.0017534500000000, 0.0016465300000000, 0.0006385500000000 ] - [ 0.0011665100000000, 0.0007643100000000, 0.0003896200000000 ] - [ 0.0014504300000000, -0.0000227700000000, -0.0000511300000000 ] - [ -0.0013391700000000, -0.0004205800000000, -0.0003709700000000 ] - [ 0.0103021900000000, -0.0198511900000000, -0.0019967100000000 ] - [ -0.0028881200000000, -0.0032605900000000, -0.0005617900000000 ] - [ -0.0010917600000000, -0.0003034200000000, -0.0001624700000000 ] - [ 0.0006511800000000, 0.0013828800000000, -0.0036764400000000 ] - [ -0.0009832800000000, -0.0010937300000000, -0.0018475100000000 ] - [ -0.0016734700000000, -0.0001537600000000, -0.0000972000000000 ] - [ -0.0002752200000000, 0.0011646600000000, -0.0000115600000000 ] - [ 0.0585538100000000, 0.0134025100000000, -0.0003972100000000 ] - [ -0.0011376900000000, -0.0001105300000000, 0.0005827200000000 ] - [ -0.0012527400000000, 0.0008233000000000, 0.0010231800000000 ] - [ 0.0095122000000000, 0.0075104800000000, -0.0092349000000000 ] - [ 0.0000865800000000, 0.0007033100000000, 0.0000274700000000 ] - [ -0.0010036700000000, 0.0001324700000000, 0.0003077000000000 ] - [ 0.0001569500000000, 0.0006069200000000, -0.0000155300000000 ] - [ -0.0007923900000000, 0.0001051400000000, -0.0004151800000000 ] - [ -0.0005878100000000, 0.0002044900000000, -0.0000171500000000 ] - [ 0.0010724900000000, 0.0006279800000000, 0.0014706900000000 ] - [ -0.0004034800000000, -0.0008482100000000, 0.0007254100000000 ] - [ -0.0001292200000000, -0.0004311800000000, 0.0002608900000000 ] - [ 0.0017579700000000, -0.0043252900000000, -0.0000142200000000 ] - [ 0.0002462000000000, -0.0005458300000000, 0.0001550200000000 ] - [ -0.0025859400000000, -0.0001278800000000, -0.0000174500000000 ] - [ 0.0015743200000000, 0.0047506700000000, -0.0019696500000000 ] - [ 0.0018206800000000, 0.0008101000000000, 0.0008373800000000 ] - [ -0.0013056400000000, 0.0005324100000000, -0.0000601600000000 ] - [ -0.0002521500000000, 0.0007968400000000, -0.0001166700000000 ] - [ 0.0011905300000000, 0.0004097500000000, -0.0011333700000000 ] - [ -0.0012430400000000, 0.0005099900000000, -0.0007643200000000 ] - [ -0.0000030400000000, 0.0004459900000000, -0.0001682100000000 ] - [ -0.0006115100000000, 0.0002951300000000, -0.0000683500000000 ] - [ 0.0007905600000000, -0.0015974200000000, 0.0025684100000000 ] - [ -0.0006882700000000, -0.0003709800000000, -0.0001850900000000 ] - [ -0.0000358700000000, 0.0011413600000000, 0.0003359700000000 ] - [ -0.0056067000000000, 0.0037061700000000, 0.0055113800000000 ] - [ -0.0003673500000000, 0.0006591400000000, 0.0001947400000000 ] - [ -0.0012533900000000, -0.0012416800000000, -0.0004999800000000 ] - [ 0.0002631800000000, -0.0003212500000000, 0.0002467100000000 ] - [ 0.0012841400000000, -0.0027576200000000, -0.0007005000000000 ] - [ -0.0069370400000000, 0.0034069800000000, -0.0049859700000000 ] - [ -0.0000359800000000, 0.0019065500000000, -0.0000177900000000 ] - [ -0.0005048600000000, 0.0007211400000000, -0.0001953600000000 ] - [ -0.0008152900000000, -0.0006011700000000, 0.0005830200000000 ] - [ -0.0010827500000000, -0.0001559700000000, 0.0004423000000000 ] - [ 0.0000744500000000, 0.0009499500000000, -0.0004010300000000 ] - [ 0.0017497100000000, 0.0010489300000000, 0.0017048700000000 ] - [ 0.0015736400000000, -0.0002507700000000, -0.0003233600000000 ] - [ -0.0010321600000000, -0.0003179400000000, -0.0002398300000000 ] - [ 0.0004368900000000, -0.0009791400000000, -0.0002234500000000 ] - [ -0.0001747700000000, -0.0003414300000000, 0.0001345300000000 ] - [ -0.0002491800000000, -0.0002557700000000, -0.0005946800000000 ] - [ 0.0004458800000000, -0.0006887500000000, 0.0003945900000000 ] - [ 0.0000043100000000, -0.0003131600000000, 0.0003912900000000 ] - [ -0.0027624400000000, -0.0015685800000000, -0.0006738200000000 ] - [ 0.0051568200000000, 0.0011308500000000, -0.0020469700000000 ] - [ -0.0004884900000000, -0.0005285800000000, -0.0000768000000000 ] - [ -0.0010941400000000, 0.0005191800000000, -0.0000887700000000 ] - [ 0.0006644200000000, -0.0009214100000000, 0.0008842000000000 ] - [ -0.0000111800000000, -0.0002612500000000, -0.0000990400000000 ] - [ -0.0004663300000000, -0.0004874500000000, -0.0000172000000000 ] - [ -0.1060149400000000, -0.0001225900000000, -0.0113477200000000 ] - [ 0.0022634300000000, -0.0014001300000000, -0.0006078300000000 ] - [ 0.0036122500000000, 0.0006223400000000, -0.0002267400000000 ] - [ 0.0042181500000000, -0.0003643200000000, 0.0004401000000000 ] - [ -0.0028459900000000, -0.0032644600000000, 0.0035953900000000 ] - [ 0.0002111400000000, -0.0007587300000000, 0.0000466000000000 ] - [ 0.0006028000000000, -0.0007027600000000, -0.0000524700000000 ] - [ -0.0012733500000000, -0.0012773100000000, -0.0042015400000000 ] - [ 0.0004850000000000, -0.0005396800000000, -0.0001140400000000 ] - [ -0.0000640100000000, 0.0016942500000000, 0.0000319900000000 ] - [ -0.0026816600000000, 0.0006840800000000, 0.0000205000000000 ] - [ 0.0022004100000000, 0.0008379100000000, -0.0009040700000000 ] - [ 0.0005956400000000, 0.0006200200000000, 0.0004708100000000 ] - [ 0.0002065500000000, 0.0003682700000000, 0.0001663000000000 ] - [ -0.0004378000000000, 0.0008033900000000, 0.0013481900000000 ] - [ 0.0000480900000000, -0.0012684500000000, 0.0009763600000000 ] - [ 0.0013551300000000, -0.0000227800000000, 0.0000324400000000 ] - [ -0.0003883100000000, 0.0013967600000000, 0.0010316100000000 ] - [ 0.0051608600000000, 0.0143415800000000, 0.0060264400000000 ] - [ 0.0029494700000000, -0.0101936600000000, 0.0108397100000000 ] - [ 0.0034810400000000, -0.0003529700000000, 0.0003992200000000 ] - [ 0.0018347500000000, -0.0020135600000000, 0.0000227000000000 ] - [ 0.0274755700000000, -0.0269297000000000, 0.0006236600000000 ] - [ 0.0005956800000000, -0.0021494600000000, -0.0005243000000000 ] - [ 0.0005722400000000, -0.0013574800000000, 0.0002013900000000 ] - [ 0.0019012700000000, 0.0005956400000000, 0.0004614900000000 ] - [ -0.0025888400000000, -0.0014622500000000, -0.0000716100000000 ] - [ 0.0004792400000000, 0.0007059200000000, -0.0002167000000000 ] - [ 0.0008906300000000, 0.0005756600000000, 0.0005315500000000 ] - [ 0.0000101200000000, 0.0038435100000000, -0.0026324800000000 ] - [ 0.0031326300000000, 0.0017621500000000, 0.0019771600000000 ] - [ -0.0006280300000000, 0.0004780500000000, -0.0006294500000000 ] - [ -0.0029393100000000, 0.0018402100000000, -0.0004676700000000 ] - [ -0.0110753100000000, -0.0050287000000000, -0.0031263100000000 ] - [ 0.0023067600000000, -0.0007476000000000, -0.0006179200000000 ] - [ 0.0018295900000000, 0.0009273400000000, -0.0005949000000000 ]- atom: 91 displacement: [ -0.0100000000000000, 0.0000000000071070, 0.0000000000000000 ] forces: - [ -0.0003273600000000, -0.0002900000000000, 0.0002783700000000 ] - [ 0.0001351800000000, 0.0029112600000000, 0.0021837500000000 ] - [ -0.0011791100000000, -0.0001192900000000, -0.0000091300000000 ] - [ 0.0000121700000000, -0.0029082000000000, 0.0019311700000000 ] - [ -0.0002388500000000, -0.0003907300000000, 0.0002641400000000 ] - [ -0.0026684600000000, -0.0066333900000000, 0.0000135400000000 ] - [ 0.0036674400000000, 0.0008346900000000, -0.0007841400000000 ] - [ -0.0022203300000000, 0.0000931400000000, 0.0002575500000000 ] - [ 0.0019699600000000, 0.0011136700000000, 0.0016949700000000 ] - [ -0.0002704100000000, 0.0009687300000000, 0.0001317100000000 ] - [ -0.0008210800000000, 0.0002300800000000, -0.0004719600000000 ] - [ -0.0008405500000000, -0.0001263400000000, -0.0002186300000000 ] - [ -0.0004324200000000, 0.0004463300000000, -0.0000913800000000 ] - [ 0.0000015100000000, -0.0000739600000000, -0.0001930200000000 ] - [ 0.0004187000000000, -0.0004586600000000, -0.0002101800000000 ] - [ -0.0003799100000000, -0.0002200400000000, -0.0001272400000000 ] - [ 0.0007298400000000, 0.0001496000000000, -0.0018934300000000 ] - [ -0.0000396200000000, 0.0004291000000000, -0.0001689100000000 ] - [ -0.0081021200000000, -0.0082146700000000, -0.0157603400000000 ] - [ 0.0022203500000000, -0.0015848500000000, 0.0009961800000000 ] - [ 0.0015658700000000, -0.0005969400000000, 0.0003597600000000 ] - [ 0.0003803200000000, 0.0003210200000000, 0.0000746600000000 ] - [ -0.0008054100000000, 0.0029086600000000, -0.0013299700000000 ] - [ 0.0005149700000000, 0.0007787500000000, -0.0005647800000000 ] - [ 0.0006024300000000, -0.0009187400000000, 0.0000758000000000 ] - [ -0.0011794700000000, -0.0099957700000000, 0.0012631300000000 ] - [ 0.0016883800000000, 0.0003875900000000, 0.0001868800000000 ] - [ 0.0019847600000000, -0.0014587500000000, -0.0000796600000000 ] - [ -0.0015651100000000, -0.0007463200000000, -0.0006169200000000 ] - [ -0.0012589900000000, 0.0004220300000000, -0.0001773000000000 ] - [ 0.0016956900000000, -0.0000163500000000, 0.0002963700000000 ] - [ -0.0109224500000000, 0.0194263700000000, 0.0019455600000000 ] - [ 0.0031042500000000, 0.0037654900000000, 0.0004681300000000 ] - [ 0.0009250400000000, -0.0000944000000000, 0.0001431500000000 ] - [ -0.0008911900000000, -0.0010904900000000, 0.0036660400000000 ] - [ 0.0013731000000000, 0.0011701000000000, 0.0018264800000000 ] - [ 0.0015482200000000, 0.0003726700000000, -0.0001671900000000 ] - [ 0.0005364600000000, -0.0011764900000000, -0.0002552600000000 ] - [ -0.0632412300000000, -0.0141199400000000, 0.0001263100000000 ] - [ 0.0010422500000000, 0.0002288700000000, -0.0004967800000000 ] - [ 0.0014104000000000, -0.0007974200000000, -0.0009408400000000 ] - [ -0.0096616300000000, -0.0076325900000000, 0.0094214400000000 ] - [ -0.0000388700000000, -0.0006908400000000, 0.0000379900000000 ] - [ 0.0009704300000000, -0.0001027800000000, -0.0002521800000000 ] - [ -0.0001673800000000, -0.0006533100000000, 0.0000740900000000 ] - [ 0.0007030900000000, -0.0005530100000000, 0.0000824000000000 ] - [ 0.0010294900000000, -0.0000671200000000, -0.0003212300000000 ] - [ -0.0014235900000000, -0.0003237600000000, -0.0018301800000000 ] - [ 0.0004679500000000, 0.0005635200000000, -0.0001424600000000 ] - [ -0.0001497300000000, 0.0005207500000000, 0.0003305800000000 ] - [ -0.0015045400000000, 0.0039867700000000, -0.0002463400000000 ] - [ -0.0000245400000000, 0.0007343300000000, 0.0004271600000000 ] - [ 0.0022010000000000, 0.0001412700000000, -0.0002372000000000 ] - [ -0.0014008000000000, -0.0043701700000000, 0.0017181000000000 ] - [ -0.0014930200000000, -0.0012782800000000, -0.0008971200000000 ] - [ 0.0007242300000000, -0.0005682500000000, -0.0000030400000000 ] - [ 0.0004918700000000, -0.0002785100000000, 0.0000661800000000 ] - [ -0.0013655700000000, -0.0008146600000000, 0.0011923500000000 ] - [ 0.0009921200000000, -0.0002081700000000, 0.0008188200000000 ] - [ 0.0003712800000000, -0.0003821700000000, 0.0002134300000000 ] - [ 0.0004964700000000, -0.0000608300000000, -0.0001603000000000 ] - [ -0.0005274400000000, 0.0015780500000000, -0.0028095100000000 ] - [ 0.0005537400000000, 0.0000819500000000, -0.0000464600000000 ] - [ -0.0000728000000000, -0.0010384200000000, -0.0002673200000000 ] - [ 0.0057614300000000, -0.0036535800000000, -0.0054260100000000 ] - [ 0.0003547200000000, -0.0007723400000000, -0.0001160300000000 ] - [ 0.0013022300000000, 0.0012572600000000, 0.0006360000000000 ] - [ -0.0002944800000000, 0.0003513700000000, -0.0001183000000000 ] - [ -0.0013019100000000, 0.0027208300000000, 0.0008340200000000 ] - [ 0.0068514300000000, -0.0038382600000000, 0.0046208400000000 ] - [ 0.0004685500000000, -0.0017709600000000, -0.0003349100000000 ] - [ 0.0001630700000000, -0.0004270700000000, -0.0001570500000000 ] - [ 0.0008756400000000, 0.0003169200000000, -0.0000416900000000 ] - [ 0.0008131500000000, 0.0002575100000000, 0.0001052200000000 ] - [ 0.0001732600000000, -0.0013065800000000, 0.0001974900000000 ] - [ -0.0015208200000000, -0.0008914200000000, -0.0011813900000000 ] - [ -0.0019694800000000, 0.0002638100000000, 0.0001226900000000 ] - [ 0.0012110300000000, 0.0007130500000000, 0.0000365100000000 ] - [ -0.0000974800000000, 0.0005281400000000, 0.0002172500000000 ] - [ -0.0003975800000000, 0.0002925200000000, -0.0001449200000000 ] - [ 0.0004708400000000, 0.0007765600000000, 0.0005953300000000 ] - [ -0.0006141500000000, 0.0003019700000000, -0.0003738600000000 ] - [ -0.0002407100000000, 0.0006029600000000, -0.0003750100000000 ] - [ 0.0031132500000000, 0.0016271800000000, 0.0006831500000000 ] - [ -0.0053036200000000, -0.0008937900000000, 0.0017902500000000 ] - [ 0.0007640000000000, 0.0005099100000000, -0.0001890700000000 ] - [ 0.0009606900000000, -0.0008145600000000, -0.0001781200000000 ] - [ -0.0007724200000000, 0.0010351600000000, -0.0007684200000000 ] - [ 0.0001666600000000, 0.0002980500000000, 0.0002154100000000 ] - [ 0.0004479200000000, 0.0003769000000000, 0.0001459300000000 ] - [ 0.1109590400000000, 0.0010059600000000, 0.0112200900000000 ] - [ -0.0023225800000000, 0.0009949000000000, 0.0006973000000000 ] - [ -0.0032434800000000, -0.0004636000000000, 0.0003149000000000 ] - [ -0.0044010000000000, 0.0005212300000000, -0.0003830600000000 ] - [ 0.0028156800000000, 0.0030390200000000, -0.0035496000000000 ] - [ 0.0000212400000000, 0.0008485700000000, 0.0000051900000000 ] - [ -0.0009200600000000, 0.0008837700000000, 0.0001154800000000 ] - [ 0.0012501400000000, 0.0009145400000000, 0.0042718400000000 ] - [ -0.0001718900000000, 0.0007102900000000, 0.0001770300000000 ] - [ -0.0002033700000000, -0.0015320600000000, 0.0000394200000000 ] - [ 0.0026805700000000, -0.0009928000000000, 0.0000489700000000 ] - [ -0.0019170100000000, -0.0006819700000000, 0.0009694100000000 ] - [ -0.0009274300000000, -0.0004407000000000, -0.0003534400000000 ] - [ -0.0002233700000000, -0.0007504200000000, -0.0000503600000000 ] - [ 0.0007635100000000, -0.0006244800000000, -0.0012341300000000 ] - [ -0.0002906400000000, 0.0014346700000000, -0.0009620000000000 ] - [ -0.0013709300000000, -0.0002580500000000, -0.0000191000000000 ] - [ 0.0006472700000000, -0.0012660400000000, -0.0010248300000000 ] - [ -0.0048510900000000, -0.0142890000000000, -0.0061738100000000 ] - [ -0.0031842400000000, 0.0104892500000000, -0.0110787900000000 ] - [ -0.0036562600000000, 0.0000115000000000, -0.0006238500000000 ] - [ -0.0022385400000000, 0.0017335100000000, 0.0001732800000000 ] - [ -0.0273904400000000, 0.0268028100000000, -0.0004200200000000 ] - [ -0.0006483000000000, 0.0026497300000000, 0.0007295300000000 ] - [ -0.0001845600000000, 0.0013896700000000, -0.0004263500000000 ] - [ -0.0021145900000000, -0.0002963600000000, -0.0006858000000000 ] - [ 0.0024306900000000, 0.0011174400000000, -0.0001578000000000 ] - [ -0.0008809700000000, -0.0009551500000000, 0.0004678700000000 ] - [ -0.0005012500000000, -0.0007794000000000, -0.0002705700000000 ] - [ -0.0000267400000000, -0.0033781800000000, 0.0029024600000000 ] - [ -0.0027410300000000, -0.0017350800000000, -0.0021374700000000 ] - [ 0.0004039100000000, -0.0001718000000000, 0.0004712000000000 ] - [ 0.0027749000000000, -0.0021920000000000, 0.0003023300000000 ] - [ 0.0107354600000000, 0.0047884100000000, 0.0034246800000000 ] - [ -0.0019139500000000, 0.0005479700000000, 0.0008266000000000 ] - [ -0.0018589400000000, -0.0004478400000000, 0.0008023400000000 ]- atom: 91 displacement: [ -0.0049999999943570, 0.0086602540411024, 0.0000000000000000 ] forces: - [ -0.0004752300000000, 0.0002153900000000, 0.0002306400000000 ] - [ -0.0017188000000000, 0.0041421800000000, 0.0061033700000000 ] - [ -0.0006818000000000, -0.0006428100000000, 0.0000084700000000 ] - [ 0.0019182800000000, 0.0005614600000000, -0.0015477800000000 ] - [ 0.0005515900000000, 0.0005763700000000, 0.0001543100000000 ] - [ 0.0023610400000000, -0.0033575200000000, 0.0002790500000000 ] - [ 0.0011007900000000, -0.0041632100000000, 0.0002227200000000 ] - [ -0.0013381300000000, 0.0000408200000000, 0.0001729600000000 ] - [ -0.0002472800000000, 0.0022238400000000, 0.0016211000000000 ] - [ -0.0007544900000000, 0.0020140400000000, 0.0001204500000000 ] - [ -0.0016436500000000, 0.0000545100000000, -0.0012159600000000 ] - [ 0.0007227900000000, -0.0001823700000000, -0.0000236900000000 ] - [ -0.0000123100000000, 0.0005914200000000, -0.0000994100000000 ] - [ 0.0001358300000000, 0.0004790800000000, -0.0001405600000000 ] - [ 0.0004950500000000, -0.0000998900000000, -0.0001502700000000 ] - [ 0.0000191200000000, -0.0001733900000000, -0.0001988100000000 ] - [ -0.0001713300000000, -0.0001760000000000, -0.0012027700000000 ] - [ -0.0003784400000000, 0.0007589300000000, -0.0000560800000000 ] - [ 0.0030383000000000, 0.0097354300000000, 0.0145395300000000 ] - [ 0.0075096300000000, -0.0032194900000000, 0.0038503200000000 ] - [ -0.0001513300000000, 0.0010293600000000, 0.0000462900000000 ] - [ -0.0010713500000000, -0.0008215200000000, -0.0005494600000000 ] - [ -0.0024654800000000, 0.0018270500000000, 0.0013168900000000 ] - [ 0.0002455000000000, 0.0001379400000000, -0.0002761300000000 ] - [ 0.0015854500000000, -0.0015769700000000, -0.0000487500000000 ] - [ 0.0045134700000000, -0.0049726800000000, 0.0012568300000000 ] - [ 0.0009150800000000, 0.0004844200000000, 0.0000100900000000 ] - [ 0.0010391800000000, -0.0010723300000000, 0.0000493400000000 ] - [ -0.0015148600000000, -0.0022287200000000, -0.0014568500000000 ] - [ -0.0010167800000000, -0.0018752200000000, 0.0003927800000000 ] - [ 0.0018964400000000, 0.0010155600000000, 0.0004598800000000 ] - [ -0.0214447900000000, 0.0487983200000000, 0.0041062500000000 ] - [ -0.0031332500000000, 0.0000185200000000, 0.0011897800000000 ] - [ 0.0009029500000000, 0.0006088100000000, 0.0002132500000000 ] - [ -0.0001708900000000, 0.0002853200000000, 0.0092636000000000 ] - [ -0.0023244600000000, -0.0012518300000000, -0.0020727700000000 ] - [ -0.0004839800000000, -0.0005015300000000, -0.0001313700000000 ] - [ 0.0011060200000000, -0.0019878200000000, -0.0003708500000000 ] - [ -0.0241154100000000, -0.0001567300000000, -0.0003115100000000 ] - [ -0.0002321400000000, 0.0005257200000000, 0.0000255200000000 ] - [ 0.0024743400000000, -0.0006852500000000, -0.0020214100000000 ] - [ 0.0026492500000000, 0.0100399900000000, -0.0091380400000000 ] - [ -0.0003014000000000, -0.0011451100000000, -0.0000424500000000 ] - [ 0.0009144800000000, 0.0001763400000000, -0.0000807800000000 ] - [ 0.0006168400000000, -0.0016395000000000, 0.0002313500000000 ] - [ 0.0011252400000000, -0.0003920300000000, 0.0003930700000000 ] - [ -0.0000408700000000, 0.0005389400000000, -0.0000865100000000 ] - [ -0.0001638000000000, 0.0016909500000000, 0.0009575800000000 ] - [ -0.0004930100000000, 0.0008126900000000, 0.0003711600000000 ] - [ -0.0014142800000000, -0.0012725700000000, 0.0006948900000000 ] - [ -0.0009692100000000, -0.0024048300000000, -0.0007501300000000 ] - [ 0.0004582300000000, -0.0007801800000000, 0.0001074500000000 ] - [ 0.0010479000000000, 0.0005057200000000, -0.0001021100000000 ] - [ -0.0020064800000000, -0.0080706100000000, 0.0037673600000000 ] - [ 0.0002001900000000, -0.0009858300000000, -0.0010326900000000 ] - [ 0.0002896700000000, -0.0004436700000000, 0.0000350600000000 ] - [ 0.0010277500000000, -0.0007645800000000, 0.0002655100000000 ] - [ -0.0002912300000000, -0.0009614300000000, 0.0011854700000000 ] - [ 0.0004553100000000, -0.0000725500000000, 0.0004750800000000 ] - [ 0.0007164400000000, -0.0006896800000000, 0.0001239200000000 ] - [ 0.0010608900000000, -0.0005218000000000, -0.0000088600000000 ] - [ -0.0002187300000000, 0.0030648200000000, -0.0009103700000000 ] - [ -0.0005398700000000, -0.0007049900000000, -0.0001849400000000 ] - [ 0.0007078700000000, -0.0017367400000000, 0.0000525700000000 ] - [ 0.0031354700000000, -0.0002950100000000, -0.0027991700000000 ] - [ -0.0001910100000000, -0.0013244100000000, -0.0002549400000000 ] - [ 0.0007063800000000, 0.0004737600000000, 0.0003158300000000 ] - [ -0.0010632600000000, -0.0005112200000000, 0.0002427000000000 ] - [ -0.0019510900000000, 0.0003203600000000, -0.0010549500000000 ] - [ 0.0039959500000000, -0.0006129200000000, 0.0023191300000000 ] - [ 0.0011786000000000, -0.0024488500000000, -0.0007484000000000 ] - [ -0.0003708400000000, -0.0010184800000000, 0.0001183300000000 ] - [ -0.0009760000000000, -0.0001018900000000, 0.0002281900000000 ] - [ 0.0011125600000000, 0.0009353000000000, -0.0000765700000000 ] - [ 0.0004280700000000, -0.0017700700000000, 0.0005538200000000 ] - [ -0.0014328700000000, 0.0043798400000000, -0.0005868600000000 ] - [ -0.0004659500000000, -0.0005066000000000, -0.0002552500000000 ] - [ 0.0007552200000000, 0.0007884900000000, 0.0000171800000000 ] - [ -0.0008415200000000, -0.0011179200000000, -0.0007696100000000 ] - [ -0.0001982000000000, -0.0009307100000000, 0.0004346800000000 ] - [ 0.0000324400000000, 0.0008259700000000, 0.0002874600000000 ] - [ -0.0011633700000000, -0.0009387900000000, -0.0004309100000000 ] - [ -0.0001609700000000, -0.0006336000000000, -0.0000251000000000 ] - [ 0.0013514400000000, 0.0011484800000000, 0.0002441600000000 ] - [ -0.0005266300000000, 0.0022838700000000, 0.0015717400000000 ] - [ -0.0001751100000000, -0.0003458500000000, -0.0001153600000000 ] - [ 0.0015050500000000, -0.0011739500000000, -0.0003097000000000 ] - [ -0.0008182100000000, 0.0012108200000000, 0.0002999700000000 ] - [ -0.0006062300000000, -0.0004694700000000, 0.0001364200000000 ] - [ 0.0003803100000000, -0.0001509700000000, 0.0000412300000000 ] - [ 0.0530092800000000, -0.0840993600000000, -0.0007525700000000 ] - [ -0.0048332300000000, 0.0009808700000000, 0.0019853200000000 ] - [ 0.0015543800000000, -0.0005943000000000, 0.0000160600000000 ] - [ -0.0026657200000000, 0.0002232500000000, -0.0001895200000000 ] - [ 0.0004575200000000, 0.0044171800000000, -0.0034565800000000 ] - [ -0.0005575200000000, 0.0018926400000000, 0.0001785100000000 ] - [ -0.0000810400000000, 0.0011139300000000, 0.0001148400000000 ] - [ -0.0001443000000000, -0.0009587400000000, 0.0025175000000000 ] - [ -0.0010062200000000, 0.0014408900000000, -0.0000680400000000 ] - [ 0.0005503600000000, 0.0017487300000000, 0.0002806100000000 ] - [ 0.0042624900000000, 0.0014641400000000, -0.0006109200000000 ] - [ -0.0005240600000000, -0.0004348300000000, 0.0006543400000000 ] - [ -0.0012318200000000, 0.0004544700000000, -0.0001639900000000 ] - [ 0.0008265300000000, 0.0006686100000000, -0.0000883300000000 ] - [ 0.0008976000000000, -0.0021510800000000, 0.0002039400000000 ] - [ -0.0004574300000000, 0.0011793200000000, -0.0033387400000000 ] - [ -0.0007292000000000, -0.0011119900000000, 0.0000313900000000 ] - [ 0.0004445300000000, 0.0000202300000000, 0.0010309400000000 ] - [ 0.0093778900000000, 0.0084763700000000, 0.0027586000000000 ] - [ -0.0095075100000000, 0.0198314600000000, -0.0280442100000000 ] - [ -0.0021400300000000, -0.0022685600000000, -0.0009973800000000 ] - [ -0.0001522000000000, 0.0020128900000000, 0.0001577800000000 ] - [ -0.0237742900000000, 0.0063794700000000, 0.0000263200000000 ] - [ -0.0020888500000000, 0.0040866400000000, 0.0007683900000000 ] - [ -0.0005204500000000, 0.0024250100000000, -0.0005549300000000 ] - [ -0.0015211700000000, -0.0002839700000000, -0.0005371800000000 ] - [ 0.0000920000000000, 0.0022059900000000, -0.0000189500000000 ] - [ -0.0014748300000000, 0.0005658200000000, 0.0002034700000000 ] - [ 0.0018149400000000, 0.0016080200000000, 0.0005729400000000 ] - [ 0.0017340500000000, -0.0042407600000000, -0.0012887100000000 ] - [ -0.0008764300000000, -0.0011614100000000, -0.0010437400000000 ] - [ 0.0011875000000000, 0.0024986200000000, -0.0003281700000000 ] - [ 0.0031145000000000, 0.0015161900000000, 0.0015000000000000 ] - [ 0.0014428300000000, -0.0092506200000000, -0.0024480100000000 ] - [ -0.0030267200000000, 0.0001265600000000, 0.0013673100000000 ] - [ 0.0010904900000000, -0.0000203900000000, 0.0000951200000000 ]- atom: 91 displacement: [ 0.0049999999943570, -0.0086602540411024, 0.0000000000000000 ] forces: - [ 0.0004452800000000, -0.0001615100000000, 0.0000635900000000 ] - [ 0.0014655600000000, -0.0040106400000000, -0.0063620700000000 ] - [ 0.0005863100000000, 0.0003128000000000, -0.0002345300000000 ] - [ -0.0016214800000000, -0.0005206100000000, 0.0013198000000000 ] - [ -0.0005115100000000, -0.0005829100000000, 0.0001384600000000 ] - [ -0.0022860400000000, 0.0034632600000000, 0.0000214600000000 ] - [ -0.0011095100000000, 0.0042974300000000, -0.0002451100000000 ] - [ 0.0011243100000000, 0.0001109700000000, -0.0001310800000000 ] - [ 0.0001513800000000, -0.0024784400000000, -0.0015652100000000 ] - [ 0.0009927800000000, -0.0019988500000000, -0.0000856400000000 ] - [ 0.0016116900000000, -0.0000740200000000, 0.0012154900000000 ] - [ -0.0006119100000000, 0.0002116300000000, 0.0000257700000000 ] - [ -0.0000106300000000, -0.0004599300000000, 0.0000476700000000 ] - [ -0.0003723000000000, -0.0003064900000000, -0.0000392400000000 ] - [ -0.0006059200000000, -0.0002025700000000, -0.0000283900000000 ] - [ 0.0002535000000000, 0.0002039800000000, 0.0000195200000000 ] - [ 0.0001396900000000, 0.0001305400000000, 0.0011439500000000 ] - [ 0.0005077100000000, -0.0007186100000000, 0.0000095400000000 ] - [ -0.0028818000000000, -0.0098427100000000, -0.0145039500000000 ] - [ -0.0075396000000000, 0.0032839800000000, -0.0037698300000000 ] - [ 0.0001284200000000, -0.0010969900000000, 0.0000305000000000 ] - [ 0.0009618000000000, 0.0003780600000000, 0.0002093200000000 ] - [ 0.0029179000000000, -0.0017098400000000, -0.0016670400000000 ] - [ -0.0005818300000000, 0.0001778000000000, -0.0000680700000000 ] - [ -0.0015173600000000, 0.0012809400000000, 0.0006087400000000 ] - [ -0.0047238700000000, 0.0050703400000000, -0.0006815800000000 ] - [ -0.0006706800000000, -0.0008504400000000, -0.0002393600000000 ] - [ -0.0008069400000000, 0.0012653100000000, 0.0005077400000000 ] - [ 0.0011219200000000, 0.0022566100000000, 0.0012337800000000 ] - [ 0.0011976100000000, 0.0022671300000000, -0.0006188100000000 ] - [ -0.0015414200000000, -0.0014602800000000, -0.0005325900000000 ] - [ 0.0224900000000000, -0.0527569500000000, -0.0036987200000000 ] - [ 0.0033557100000000, 0.0005288900000000, -0.0012622200000000 ] - [ -0.0010712500000000, -0.0010103700000000, -0.0002319700000000 ] - [ -0.0000765600000000, 0.0000178500000000, -0.0093156800000000 ] - [ 0.0027057400000000, 0.0013286600000000, 0.0020601000000000 ] - [ 0.0003686500000000, 0.0007255900000000, -0.0001334400000000 ] - [ -0.0008492200000000, 0.0019728000000000, 0.0001039400000000 ] - [ 0.0235331300000000, -0.0003220500000000, 0.0000304500000000 ] - [ 0.0001393100000000, -0.0004045500000000, 0.0000532000000000 ] - [ -0.0023252300000000, 0.0007110500000000, 0.0021089300000000 ] - [ -0.0026846500000000, -0.0102860700000000, 0.0094208800000000 ] - [ 0.0003524900000000, 0.0011626700000000, 0.0001079400000000 ] - [ -0.0009494600000000, -0.0001440600000000, 0.0001355500000000 ] - [ -0.0006296300000000, 0.0015941700000000, -0.0001722900000000 ] - [ -0.0012203500000000, -0.0000569100000000, -0.0007254400000000 ] - [ 0.0004832900000000, -0.0004010400000000, -0.0002499700000000 ] - [ -0.0001785300000000, -0.0013948500000000, -0.0013171900000000 ] - [ 0.0005565600000000, -0.0011007600000000, 0.0002107400000000 ] - [ 0.0011358900000000, 0.0013615500000000, -0.0001031900000000 ] - [ 0.0012042500000000, 0.0020676500000000, 0.0004847800000000 ] - [ -0.0002386700000000, 0.0009701100000000, 0.0004749100000000 ] - [ -0.0014360500000000, -0.0004951500000000, -0.0001521800000000 ] - [ 0.0021762800000000, 0.0084530500000000, -0.0040130500000000 ] - [ 0.0001277100000000, 0.0005222000000000, 0.0009738800000000 ] - [ -0.0008715000000000, 0.0004103200000000, -0.0000961300000000 ] - [ -0.0007895900000000, 0.0012850100000000, -0.0003150800000000 ] - [ 0.0001157500000000, 0.0005607500000000, -0.0011197300000000 ] - [ -0.0007050100000000, 0.0003742600000000, -0.0004213600000000 ] - [ -0.0003495200000000, 0.0007545100000000, -0.0000793300000000 ] - [ -0.0011791000000000, 0.0007547700000000, -0.0002202800000000 ] - [ 0.0004781700000000, -0.0030932900000000, 0.0006856800000000 ] - [ 0.0004047900000000, 0.0004196900000000, -0.0000460600000000 ] - [ -0.0008188400000000, 0.0018365600000000, 0.0000130500000000 ] - [ -0.0029867800000000, 0.0003677100000000, 0.0028733900000000 ] - [ 0.0001817600000000, 0.0012133900000000, 0.0003344600000000 ] - [ -0.0006604700000000, -0.0004614600000000, -0.0001807100000000 ] - [ 0.0010261300000000, 0.0005431100000000, -0.0001161500000000 ] - [ 0.0019476800000000, -0.0003712300000000, 0.0011892200000000 ] - [ -0.0040881600000000, 0.0002020500000000, -0.0026694700000000 ] - [ -0.0007462400000000, 0.0025801100000000, 0.0003991100000000 ] - [ 0.0000321100000000, 0.0013171000000000, -0.0004691200000000 ] - [ 0.0010367500000000, -0.0001800000000000, 0.0003077600000000 ] - [ -0.0013875500000000, -0.0008403700000000, 0.0006239600000000 ] - [ -0.0001784500000000, 0.0014193600000000, -0.0007581000000000 ] - [ 0.0016723200000000, -0.0042281300000000, 0.0011248400000000 ] - [ 0.0000628100000000, 0.0005195200000000, 0.0000560200000000 ] - [ -0.0005771400000000, -0.0003910200000000, -0.0002203800000000 ] - [ 0.0011846600000000, 0.0006678600000000, 0.0007676800000000 ] - [ -0.0003756500000000, 0.0008787200000000, -0.0004414100000000 ] - [ 0.0001845800000000, -0.0003077500000000, -0.0002839900000000 ] - [ 0.0009997200000000, 0.0005540000000000, 0.0004492200000000 ] - [ -0.0000776000000000, 0.0009206300000000, 0.0000374100000000 ] - [ -0.0010069000000000, -0.0010908000000000, -0.0002365400000000 ] - [ 0.0003877000000000, -0.0020566600000000, -0.0018498500000000 ] - [ 0.0004499900000000, 0.0003291100000000, -0.0001514700000000 ] - [ -0.0016438200000000, 0.0008795100000000, 0.0000434800000000 ] - [ 0.0007119900000000, -0.0011030500000000, -0.0001840700000000 ] - [ 0.0007631100000000, 0.0005084100000000, -0.0000203000000000 ] - [ -0.0004005500000000, 0.0000368800000000, 0.0000871600000000 ] - [ -0.0544911000000000, 0.0889026700000000, 0.0001256100000000 ] - [ 0.0047856300000000, -0.0013807800000000, -0.0018998400000000 ] - [ -0.0012095300000000, 0.0007489500000000, 0.0000736900000000 ] - [ 0.0024856400000000, -0.0000669500000000, 0.0002466300000000 ] - [ -0.0004900200000000, -0.0046142100000000, 0.0034751300000000 ] - [ 0.0007886900000000, -0.0018079100000000, -0.0001275700000000 ] - [ -0.0002383800000000, -0.0009363400000000, -0.0000529800000000 ] - [ 0.0001225100000000, 0.0005825500000000, -0.0024515400000000 ] - [ 0.0013207500000000, -0.0012696000000000, 0.0001334800000000 ] - [ -0.0008142500000000, -0.0015877500000000, -0.0002085900000000 ] - [ -0.0042761700000000, -0.0017745600000000, 0.0006838300000000 ] - [ 0.0008106300000000, 0.0005929600000000, -0.0005897600000000 ] - [ 0.0009034500000000, -0.0002721800000000, 0.0002816100000000 ] - [ -0.0008434700000000, -0.0010541300000000, 0.0002031300000000 ] - [ -0.0005697600000000, 0.0023453000000000, -0.0000855600000000 ] - [ 0.0002193800000000, -0.0010217600000000, 0.0033652700000000 ] - [ 0.0007138900000000, 0.0008353900000000, -0.0000195100000000 ] - [ -0.0001804600000000, 0.0001080200000000, -0.0010272100000000 ] - [ -0.0089826200000000, -0.0085114300000000, -0.0029623400000000 ] - [ 0.0093742300000000, -0.0197468700000000, 0.0278745800000000 ] - [ 0.0019623500000000, 0.0019377700000000, 0.0007712500000000 ] - [ -0.0002601900000000, -0.0023005700000000, 0.0000384500000000 ] - [ 0.0239508700000000, -0.0067212100000000, 0.0001787100000000 ] - [ 0.0020370400000000, -0.0035802900000000, -0.0005610500000000 ] - [ 0.0009072000000000, -0.0023997600000000, 0.0003291900000000 ] - [ 0.0013060500000000, 0.0005818300000000, 0.0003149300000000 ] - [ -0.0002436500000000, -0.0025522400000000, -0.0002147800000000 ] - [ 0.0010785900000000, -0.0008106500000000, 0.0000463000000000 ] - [ -0.0014268200000000, -0.0018157200000000, -0.0003136400000000 ] - [ -0.0017466300000000, 0.0047309600000000, 0.0015486700000000 ] - [ 0.0012758900000000, 0.0011932700000000, 0.0008841700000000 ] - [ -0.0014022900000000, -0.0021840600000000, 0.0001710900000000 ] - [ -0.0033004400000000, -0.0018715100000000, -0.0016705000000000 ] - [ -0.0018525100000000, 0.0090579100000000, 0.0027534600000000 ] - [ 0.0034296400000000, -0.0003208700000000, -0.0011602900000000 ] - [ -0.0011237600000000, 0.0004947700000000, 0.0001202600000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000216000000000, 0.0001242000000000, 0.0000257200000000 ] - [ -0.0014624800000000, 0.0035047600000000, -0.0019686700000000 ] - [ -0.0001243700000000, -0.0001853200000000, -0.0002990400000000 ] - [ -0.0037331300000000, -0.0050711000000000, -0.0018747500000000 ] - [ 0.0002186500000000, 0.0002987300000000, -0.0001401100000000 ] - [ 0.0000357400000000, 0.0001051500000000, -0.0011825000000000 ] - [ -0.0003897900000000, -0.0006930300000000, 0.0099668000000000 ] - [ 0.0000141800000000, 0.0001186500000000, 0.0000421300000000 ] - [ -0.0017792500000000, 0.0009173200000000, -0.0001945300000000 ] - [ 0.0002206200000000, -0.0001631500000000, 0.0000473600000000 ] - [ 0.0001096800000000, -0.0001543400000000, 0.0003923000000000 ] - [ 0.0011708900000000, -0.0001212700000000, 0.0003697700000000 ] - [ -0.0000380600000000, 0.0000668200000000, -0.0000424400000000 ] - [ -0.0002419400000000, 0.0000610400000000, 0.0002295500000000 ] - [ 0.0000637400000000, 0.0000565700000000, 0.0002260700000000 ] - [ 0.0002355800000000, 0.0000733200000000, 0.0002215500000000 ] - [ 0.0016407900000000, -0.0011774200000000, 0.0002927900000000 ] - [ 0.0000626000000000, -0.0000067000000000, -0.0000136400000000 ] - [ 0.0153957000000000, 0.0262197600000000, 0.0544986000000000 ] - [ -0.0005893900000000, 0.0005145100000000, 0.0002769600000000 ] - [ -0.0008370200000000, 0.0005220400000000, 0.0000646200000000 ] - [ -0.0008439400000000, -0.0007391800000000, -0.0004804200000000 ] - [ 0.0009793100000000, 0.0007934300000000, -0.0006653000000000 ] - [ -0.0001270900000000, 0.0000707300000000, -0.0001214900000000 ] - [ 0.0000480200000000, -0.0001010300000000, 0.0005360500000000 ] - [ -0.0002197900000000, 0.0001530500000000, 0.0029386800000000 ] - [ -0.0000820500000000, -0.0000447000000000, 0.0000500500000000 ] - [ -0.0001088200000000, 0.0002301700000000, 0.0004331100000000 ] - [ 0.0000958300000000, -0.0005894900000000, 0.0004205200000000 ] - [ 0.0006216800000000, 0.0020903400000000, 0.0005684000000000 ] - [ 0.0000603100000000, -0.0000268300000000, 0.0002955700000000 ] - [ -0.0001900900000000, -0.0016831600000000, 0.0044359700000000 ] - [ -0.0042993400000000, -0.0016230400000000, 0.0052596200000000 ] - [ -0.0002840700000000, -0.0000361100000000, -0.0003058600000000 ] - [ -0.0009570600000000, 0.0029291400000000, -0.0033987500000000 ] - [ -0.0042225800000000, -0.0028308200000000, -0.0050757700000000 ] - [ -0.0007481900000000, -0.0001497600000000, 0.0000529800000000 ] - [ 0.0001397900000000, 0.0000416600000000, 0.0000838200000000 ] - [ 0.0016502400000000, -0.0003402600000000, 0.0012540400000000 ] - [ 0.0002104700000000, 0.0002480200000000, 0.0007631600000000 ] - [ 0.0007261700000000, -0.0004932500000000, 0.0005461200000000 ] - [ -0.0155664500000000, -0.0215029500000000, 0.0398829500000000 ] - [ -0.0000893500000000, -0.0002285400000000, -0.0000922400000000 ] - [ -0.0002904900000000, 0.0001040900000000, -0.0005133500000000 ] - [ -0.0000173800000000, 0.0002629900000000, -0.0005821000000000 ] - [ 0.0007141200000000, -0.0005514200000000, -0.0006652500000000 ] - [ 0.0004339700000000, -0.0000192000000000, -0.0007714600000000 ] - [ 0.0009213400000000, 0.0015997700000000, -0.0104187400000000 ] - [ 0.0006563000000000, 0.0001213200000000, 0.0000767500000000 ] - [ -0.0003653800000000, -0.0001630400000000, 0.0000394500000000 ] - [ -0.0000455400000000, -0.0077287100000000, 0.0002057500000000 ] - [ 0.0003869100000000, -0.0006580500000000, -0.0000840600000000 ] - [ -0.0005446100000000, 0.0001353800000000, -0.0000770000000000 ] - [ 0.0002824200000000, 0.0009529100000000, 0.0000076200000000 ] - [ 0.0006622900000000, -0.0007979200000000, -0.0017802500000000 ] - [ -0.0005061500000000, 0.0001165200000000, -0.0002259800000000 ] - [ 0.0002440500000000, 0.0002391200000000, -0.0002972700000000 ] - [ -0.0005644500000000, 0.0015192600000000, -0.0015834400000000 ] - [ -0.0001572600000000, 0.0001444900000000, -0.0000003100000000 ] - [ 0.0001728300000000, -0.0000983400000000, -0.0000441500000000 ] - [ 0.0001244300000000, 0.0000900300000000, -0.0002317500000000 ] - [ 0.0026156900000000, 0.0012658600000000, -0.0027515000000000 ] - [ -0.0006704500000000, -0.0003633500000000, -0.0003251100000000 ] - [ 0.0002825700000000, -0.0001673100000000, 0.0002480000000000 ] - [ -0.0005207100000000, 0.0004379800000000, 0.0011214100000000 ] - [ -0.0001724000000000, -0.0000440300000000, 0.0000751400000000 ] - [ -0.0001926200000000, -0.0001885600000000, 0.0002854300000000 ] - [ 0.0002056300000000, 0.0000851700000000, 0.0003806300000000 ] - [ -0.0001726100000000, -0.0019577100000000, 0.0006204300000000 ] - [ 0.0002064600000000, -0.0005280900000000, 0.0010408700000000 ] - [ 0.0000895400000000, 0.0003594100000000, 0.0001856000000000 ] - [ -0.0003318100000000, -0.0000396700000000, 0.0000716200000000 ] - [ 0.0022629300000000, 0.0009187600000000, -0.0007471000000000 ] - [ 0.0001464900000000, 0.0000817400000000, 0.0001659700000000 ] - [ 0.0003017800000000, -0.0007860800000000, -0.0007034700000000 ] - [ 0.0013688100000000, -0.0064230100000000, -0.0058841500000000 ] - [ 0.0002145500000000, 0.0006269500000000, -0.0012739700000000 ] - [ -0.0000068900000000, 0.0001775900000000, -0.0002239100000000 ] - [ 0.0000827400000000, -0.0007566000000000, -0.0002265700000000 ] - [ -0.0001935900000000, 0.0002438200000000, -0.0000198800000000 ] - [ -0.0010241200000000, 0.0000507100000000, 0.0003920300000000 ] - [ -0.0001337600000000, -0.0006786500000000, 0.0008145000000000 ] - [ -0.0000849400000000, 0.0000866600000000, 0.0012302300000000 ] - [ 0.0001010800000000, 0.0000509100000000, 0.0004457800000000 ] - [ -0.0060736200000000, -0.0027141100000000, -0.0047830700000000 ] - [ 0.0006452400000000, 0.0002841000000000, -0.0001533500000000 ] - [ 0.0001734600000000, -0.0003315700000000, -0.0001654300000000 ] - [ -0.0004020700000000, 0.0001396600000000, -0.0021431400000000 ] - [ 0.0000116400000000, -0.0001410800000000, -0.0005460900000000 ] - [ -0.0000038800000000, -0.0002680500000000, -0.0002954000000000 ] - [ -0.0127209700000000, -0.0087761600000000, -0.1273140100000000 ] - [ 0.0002694900000000, -0.0003376800000000, -0.0008911800000000 ] - [ 0.0021207800000000, -0.0002913500000000, -0.0008904900000000 ] - [ 0.0001182100000000, -0.0001152800000000, -0.0000670500000000 ] - [ 0.0011712700000000, -0.0024218500000000, -0.0009977300000000 ] - [ -0.0000105200000000, 0.0003161000000000, -0.0001937300000000 ] - [ 0.0002535700000000, 0.0000700900000000, 0.0002092000000000 ] - [ -0.0014550700000000, 0.0004850200000000, 0.0008629500000000 ] - [ 0.0000112800000000, 0.0000441600000000, 0.0003068900000000 ] - [ 0.0004571500000000, 0.0025953700000000, -0.0001857600000000 ] - [ -0.0001899500000000, -0.0006663900000000, -0.0003221500000000 ] - [ 0.0001950100000000, 0.0001118500000000, -0.0003036400000000 ] - [ -0.0002494000000000, 0.0001384800000000, 0.0002381200000000 ] - [ 0.0002381700000000, -0.0002169900000000, 0.0003352700000000 ] - [ 0.0026389900000000, 0.0035386000000000, 0.0008992000000000 ] - [ -0.0012975900000000, 0.0017989900000000, 0.0048801400000000 ] - [ -0.0000371200000000, -0.0001766900000000, 0.0004638900000000 ] - [ -0.0022700600000000, -0.0024602300000000, 0.0049924000000000 ] - [ 0.0159024700000000, 0.0208121900000000, -0.0010194000000000 ] - [ 0.0037480000000000, -0.0094100400000000, 0.0024814300000000 ] - [ 0.0007111700000000, -0.0010275400000000, -0.0002123300000000 ] - [ 0.0003882900000000, -0.0001388200000000, -0.0002266700000000 ] - [ 0.0006255400000000, 0.0001837900000000, -0.0029746700000000 ] - [ -0.0000936000000000, 0.0001977900000000, -0.0005684900000000 ] - [ -0.0000202200000000, 0.0004971600000000, 0.0001421500000000 ] - [ 0.0002680700000000, 0.0000771400000000, 0.0000764300000000 ] - [ -0.0002556800000000, -0.0012256200000000, 0.0033943300000000 ] - [ -0.0005198900000000, 0.0004817700000000, 0.0003028400000000 ] - [ 0.0008493400000000, 0.0005857900000000, 0.0010557400000000 ] - [ -0.0015232600000000, -0.0024492200000000, 0.0026957100000000 ] - [ 0.0008462200000000, -0.0000187000000000, -0.0010780200000000 ] - [ -0.0006363400000000, -0.0011197500000000, -0.0011035600000000 ] - [ -0.0005479700000000, 0.0019343200000000, -0.0006863500000000 ] - [ 0.0064415800000000, 0.0102702600000000, 0.0371288000000000 ] - [ -0.0008261300000000, 0.0004157100000000, 0.0001274500000000 ] - [ -0.0021775100000000, 0.0004291400000000, 0.0002325500000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000109400000000, -0.0000710200000000, 0.0002683200000000 ] - [ 0.0011977400000000, -0.0033427700000000, 0.0017641900000000 ] - [ 0.0000287300000000, -0.0001473800000000, 0.0000744300000000 ] - [ 0.0040336600000000, 0.0051448600000000, 0.0016513300000000 ] - [ -0.0001773200000000, -0.0003041400000000, 0.0004318000000000 ] - [ 0.0000487600000000, -0.0000002900000000, 0.0014835600000000 ] - [ 0.0003971600000000, 0.0008280200000000, -0.0098629000000000 ] - [ -0.0002247600000000, 0.0000333200000000, -0.0000018200000000 ] - [ 0.0016737600000000, -0.0011877200000000, 0.0002242200000000 ] - [ 0.0000182400000000, 0.0001825200000000, -0.0000142900000000 ] - [ -0.0001448000000000, 0.0001339600000000, -0.0003982000000000 ] - [ -0.0010561300000000, 0.0001500500000000, -0.0003682400000000 ] - [ 0.0000173200000000, 0.0000659100000000, -0.0000085400000000 ] - [ 0.0000050900000000, 0.0001126700000000, -0.0004088200000000 ] - [ -0.0001727900000000, -0.0003630200000000, -0.0004042500000000 ] - [ 0.0000346700000000, -0.0000431300000000, -0.0003999200000000 ] - [ -0.0016838600000000, 0.0011461200000000, -0.0003459700000000 ] - [ 0.0000670500000000, 0.0000460400000000, -0.0000297200000000 ] - [ -0.0141728800000000, -0.0243102800000000, -0.0521088700000000 ] - [ 0.0005574700000000, -0.0004653500000000, -0.0001843600000000 ] - [ 0.0008120800000000, -0.0005865600000000, 0.0000127400000000 ] - [ 0.0007335600000000, 0.0002945400000000, 0.0001366800000000 ] - [ -0.0005354200000000, -0.0006626300000000, 0.0003318700000000 ] - [ -0.0002056300000000, 0.0002465500000000, -0.0002257300000000 ] - [ 0.0000185000000000, -0.0001946900000000, 0.0000232600000000 ] - [ -0.0000808600000000, -0.0000333300000000, -0.0023734300000000 ] - [ 0.0003263200000000, -0.0003236700000000, -0.0002809200000000 ] - [ 0.0003374700000000, -0.0000373300000000, 0.0001242100000000 ] - [ -0.0004933500000000, 0.0006082700000000, -0.0006513600000000 ] - [ -0.0004285200000000, -0.0016968900000000, -0.0007992100000000 ] - [ 0.0003007600000000, -0.0004127400000000, -0.0003663800000000 ] - [ -0.0005811700000000, 0.0019274000000000, -0.0045597200000000 ] - [ 0.0045031800000000, 0.0021529900000000, -0.0053257200000000 ] - [ 0.0001166600000000, -0.0003639100000000, 0.0002887100000000 ] - [ 0.0006981900000000, -0.0026000200000000, 0.0033917000000000 ] - [ 0.0046126900000000, 0.0029037400000000, 0.0050637800000000 ] - [ 0.0006260600000000, 0.0003717000000000, -0.0003177200000000 ] - [ 0.0001212100000000, -0.0000531800000000, -0.0003504300000000 ] - [ -0.0012932700000000, 0.0000224100000000, -0.0014867200000000 ] - [ -0.0003061000000000, -0.0001260100000000, -0.0006848700000000 ] - [ -0.0005678300000000, 0.0005160500000000, -0.0004747600000000 ] - [ 0.0164908900000000, 0.0227985100000000, -0.0427317200000000 ] - [ 0.0001386200000000, 0.0002461100000000, 0.0001576100000000 ] - [ 0.0002646300000000, -0.0000766900000000, 0.0005681000000000 ] - [ 0.0000075200000000, -0.0003117600000000, 0.0006410000000000 ] - [ -0.0008165000000000, 0.0001064100000000, 0.0003279700000000 ] - [ 0.0000051300000000, 0.0001584000000000, 0.0004326500000000 ] - [ -0.0012734000000000, -0.0013121200000000, 0.0100292300000000 ] - [ -0.0005796100000000, -0.0004036800000000, 0.0005117800000000 ] - [ 0.0000858000000000, 0.0002517900000000, 0.0005541200000000 ] - [ 0.0002891300000000, 0.0073696400000000, -0.0004666600000000 ] - [ -0.0001654600000000, 0.0008465100000000, 0.0006672700000000 ] - [ 0.0001587500000000, -0.0001242500000000, -0.0001758100000000 ] - [ -0.0001045500000000, -0.0005769000000000, -0.0002438600000000 ] - [ -0.0003314800000000, 0.0003256800000000, 0.0017227700000000 ] - [ -0.0000753600000000, -0.0001507000000000, 0.0001654600000000 ] - [ -0.0000074100000000, 0.0002804600000000, 0.0002500300000000 ] - [ 0.0003932900000000, -0.0019300800000000, 0.0016392300000000 ] - [ -0.0000926200000000, 0.0001569700000000, 0.0000521100000000 ] - [ 0.0001928600000000, 0.0001639300000000, 0.0000867900000000 ] - [ -0.0002388100000000, 0.0001439000000000, 0.0000042400000000 ] - [ -0.0023154800000000, -0.0012734600000000, 0.0025122300000000 ] - [ 0.0005351900000000, 0.0000763300000000, 0.0000945900000000 ] - [ -0.0003916300000000, 0.0002744800000000, -0.0001753700000000 ] - [ 0.0006625200000000, -0.0003905100000000, -0.0010335100000000 ] - [ 0.0001598100000000, -0.0000682900000000, 0.0000052400000000 ] - [ 0.0002420900000000, 0.0002032500000000, -0.0001506200000000 ] - [ -0.0002393900000000, -0.0000541600000000, -0.0002544100000000 ] - [ 0.0001603500000000, 0.0019141300000000, -0.0005008900000000 ] - [ -0.0003092000000000, 0.0000897800000000, -0.0014043200000000 ] - [ 0.0003429800000000, -0.0002168800000000, -0.0005386000000000 ] - [ -0.0000093400000000, 0.0003367500000000, -0.0004254100000000 ] - [ -0.0022131300000000, -0.0012059500000000, 0.0012878900000000 ] - [ -0.0004193600000000, 0.0000164400000000, 0.0003797500000000 ] - [ -0.0000566400000000, 0.0004435000000000, 0.0005009300000000 ] - [ -0.0011450600000000, 0.0066080300000000, 0.0064525800000000 ] - [ -0.0006096300000000, -0.0006169100000000, 0.0010738400000000 ] - [ 0.0001880200000000, 0.0002180000000000, 0.0000209400000000 ] - [ 0.0002575100000000, 0.0003049700000000, 0.0002200100000000 ] - [ -0.0003784800000000, -0.0002949500000000, 0.0000105500000000 ] - [ 0.0012514800000000, 0.0004694700000000, -0.0003957200000000 ] - [ -0.0000331800000000, 0.0002931600000000, -0.0007969400000000 ] - [ -0.0001516900000000, 0.0002019900000000, -0.0012157400000000 ] - [ 0.0002433000000000, 0.0000050900000000, -0.0004393200000000 ] - [ 0.0059614100000000, 0.0029539500000000, 0.0045408300000000 ] - [ -0.0003729500000000, -0.0003026000000000, -0.0001134500000000 ] - [ -0.0003103700000000, 0.0000385200000000, -0.0001037000000000 ] - [ 0.0002993600000000, -0.0000181100000000, 0.0022643100000000 ] - [ 0.0001444500000000, 0.0001777600000000, 0.0006629800000000 ] - [ -0.0000138700000000, 0.0001570900000000, 0.0004225600000000 ] - [ 0.0098496200000000, 0.0052731400000000, 0.1282966200000000 ] - [ -0.0003300800000000, -0.0000584500000000, 0.0009812000000000 ] - [ -0.0017641500000000, 0.0004449300000000, 0.0009820600000000 ] - [ -0.0002910800000000, 0.0002719300000000, 0.0001277600000000 ] - [ -0.0012205200000000, 0.0021919700000000, 0.0010709100000000 ] - [ 0.0002435700000000, -0.0002289400000000, 0.0002484600000000 ] - [ -0.0005705600000000, 0.0001089000000000, -0.0001483200000000 ] - [ 0.0014167700000000, -0.0008391400000000, -0.0008095000000000 ] - [ 0.0003028200000000, 0.0001258700000000, -0.0002469900000000 ] - [ -0.0007218200000000, -0.0024297200000000, 0.0002565400000000 ] - [ 0.0001895300000000, 0.0003590200000000, 0.0003896700000000 ] - [ 0.0000873300000000, 0.0000472300000000, 0.0003633700000000 ] - [ -0.0000818200000000, 0.0000417800000000, -0.0001195000000000 ] - [ -0.0002546100000000, -0.0001655500000000, -0.0002185800000000 ] - [ -0.0023297900000000, -0.0033768400000000, -0.0007733100000000 ] - [ 0.0010709800000000, -0.0016551700000000, -0.0048744300000000 ] - [ 0.0000224300000000, -0.0001035300000000, -0.0004521500000000 ] - [ 0.0025355400000000, 0.0025994000000000, -0.0049902000000000 ] - [ -0.0155274300000000, -0.0207775600000000, 0.0008414000000000 ] - [ -0.0039593300000000, 0.0096823800000000, -0.0028158900000000 ] - [ -0.0008915000000000, 0.0006893300000000, -0.0000199500000000 ] - [ -0.0007920600000000, -0.0001477000000000, 0.0004227700000000 ] - [ -0.0001093100000000, -0.0004073900000000, 0.0031840100000000 ] - [ 0.0000422700000000, 0.0002970900000000, 0.0007710700000000 ] - [ 0.0004150600000000, -0.0004753000000000, -0.0003668000000000 ] - [ -0.0004879600000000, 0.0002241700000000, -0.0002997800000000 ] - [ 0.0000956000000000, 0.0008849800000000, -0.0036250900000000 ] - [ 0.0001178300000000, -0.0007281700000000, -0.0000534400000000 ] - [ -0.0004588300000000, -0.0007917800000000, -0.0007964200000000 ] - [ 0.0014869000000000, 0.0028864000000000, -0.0024541000000000 ] - [ -0.0004536700000000, 0.0000523300000000, 0.0009285000000000 ] - [ 0.0004154000000000, 0.0014281300000000, 0.0009450600000000 ] - [ 0.0003784800000000, -0.0022863200000000, 0.0005242900000000 ] - [ -0.0067818300000000, -0.0104311600000000, -0.0372786500000000 ] - [ 0.0012259100000000, -0.0006162500000000, 0.0000962100000000 ] - [ 0.0021591300000000, 0.0000459400000000, -0.0000183000000000 ]- atom: 94 displacement: [ 0.0100000000000000, -0.0000000000071070, 0.0000000000000000 ] forces: - [ 0.0000929800000000, 0.0004144400000000, -0.0001567200000000 ] - [ 0.0002043700000000, -0.0003201300000000, -0.0001354800000000 ] - [ 0.0025946100000000, 0.0036394200000000, -0.0000429700000000 ] - [ 0.0013833000000000, 0.0001623100000000, -0.0003417200000000 ] - [ 0.0006190000000000, -0.0007029400000000, 0.0001733800000000 ] - [ -0.0005590800000000, -0.0019933300000000, 0.0001950000000000 ] - [ 0.0005094500000000, -0.0001300500000000, 0.0001096900000000 ] - [ -0.0042419400000000, 0.0012881300000000, -0.0005792200000000 ] - [ 0.0007792000000000, 0.0011502200000000, 0.0012283000000000 ] - [ -0.0004703600000000, -0.0006232400000000, 0.0000264200000000 ] - [ 0.0002089200000000, 0.0003406700000000, 0.0000702400000000 ] - [ 0.0006691500000000, -0.0002857800000000, 0.0000875200000000 ] - [ -0.0004119800000000, -0.0018642800000000, 0.0014844900000000 ] - [ 0.0003059300000000, 0.0003856000000000, -0.0000873800000000 ] - [ 0.0000255400000000, -0.0006121800000000, -0.0000756300000000 ] - [ -0.0006616700000000, 0.0002721300000000, 0.0000823800000000 ] - [ 0.0042181600000000, -0.0006465900000000, -0.0062582300000000 ] - [ -0.0001258400000000, 0.0007302400000000, -0.0001364700000000 ] - [ -0.0018646300000000, -0.0009767900000000, -0.0004023800000000 ] - [ -0.0008455900000000, 0.0000823500000000, -0.0000064000000000 ] - [ -0.0004026100000000, -0.0008653500000000, 0.0009159900000000 ] - [ -0.0007558800000000, 0.0000035700000000, -0.0002841300000000 ] - [ 0.0002263900000000, 0.0012106800000000, -0.0002530700000000 ] - [ 0.0000116300000000, -0.0001687800000000, -0.0000753100000000 ] - [ 0.0011700100000000, -0.0004387500000000, 0.0003230300000000 ] - [ -0.0065195900000000, -0.0045684100000000, -0.0035089700000000 ] - [ 0.0158143400000000, 0.0195211100000000, 0.0005229000000000 ] - [ 0.0089874700000000, -0.0078135100000000, -0.0169869500000000 ] - [ -0.0004216200000000, 0.0008664600000000, -0.0001262100000000 ] - [ -0.0015383800000000, -0.0010522500000000, 0.0000448800000000 ] - [ -0.0004353100000000, -0.0014464100000000, 0.0004284800000000 ] - [ -0.0013664800000000, 0.0012143600000000, -0.0005761200000000 ] - [ -0.0020611800000000, 0.0002725100000000, 0.0009749500000000 ] - [ -0.0002347400000000, -0.0008817000000000, 0.0002316000000000 ] - [ -0.0005629400000000, 0.0006313700000000, -0.0000903200000000 ] - [ -0.0010799900000000, -0.0000692900000000, -0.0002841600000000 ] - [ -0.0014647900000000, 0.0017588900000000, 0.0004627800000000 ] - [ 0.0000594500000000, -0.0011437600000000, -0.0001791400000000 ] - [ -0.0067218900000000, 0.0047747400000000, -0.0038346000000000 ] - [ -0.0053696900000000, 0.0014896000000000, -0.0019272300000000 ] - [ -0.0004112300000000, -0.0002990500000000, 0.0001930200000000 ] - [ -0.0014799800000000, -0.0000338900000000, 0.0008413400000000 ] - [ 0.0006701100000000, 0.0010359200000000, 0.0000349600000000 ] - [ 0.0047699100000000, -0.0009183400000000, 0.0007785700000000 ] - [ 0.0001586200000000, -0.0014629300000000, 0.0004259000000000 ] - [ -0.0007349300000000, -0.0004199200000000, -0.0004210300000000 ] - [ -0.0003716600000000, 0.0000155400000000, -0.0014689600000000 ] - [ -0.0013288800000000, -0.0002465300000000, 0.0003488600000000 ] - [ 0.0010038300000000, 0.0003503700000000, 0.0001902700000000 ] - [ -0.0001800200000000, 0.0007749200000000, 0.0002353900000000 ] - [ -0.0012792900000000, -0.0004797700000000, -0.0002131700000000 ] - [ -0.0000380900000000, -0.0002972200000000, 0.0002919300000000 ] - [ 0.0010860600000000, -0.0011146000000000, 0.0008831600000000 ] - [ 0.0000740800000000, 0.0009554300000000, -0.0002022300000000 ] - [ -0.0004750100000000, -0.0010842100000000, -0.0005441000000000 ] - [ 0.0009941600000000, -0.0007712400000000, -0.0012891400000000 ] - [ 0.0008136800000000, 0.0003516000000000, -0.0001687600000000 ] - [ -0.0018147400000000, -0.0018551000000000, 0.0021962200000000 ] - [ 0.0079952400000000, -0.0082057700000000, 0.0117409600000000 ] - [ 0.0007568700000000, 0.0000440300000000, -0.0000002400000000 ] - [ -0.0002294000000000, -0.0004300300000000, -0.0001720200000000 ] - [ 0.0000640800000000, 0.0015760700000000, -0.0008179600000000 ] - [ -0.0007492100000000, 0.0005504600000000, -0.0000111900000000 ] - [ 0.0001936300000000, -0.0011467700000000, -0.0001989100000000 ] - [ 0.0004325200000000, 0.0001599200000000, -0.0092311500000000 ] - [ 0.0002265200000000, 0.0033169200000000, 0.0023930800000000 ] - [ 0.0006225000000000, -0.0030720000000000, 0.0000425200000000 ] - [ -0.0012364800000000, 0.0001236400000000, 0.0001987600000000 ] - [ -0.0002633700000000, 0.0014091100000000, 0.0001507000000000 ] - [ 0.0592113700000000, -0.0046641500000000, -0.0040951000000000 ] - [ 0.0004236700000000, -0.0019203800000000, -0.0006634100000000 ] - [ 0.0013154600000000, 0.0035881600000000, -0.0015843200000000 ] - [ -0.0029407400000000, 0.0004551800000000, -0.0008775000000000 ] - [ -0.0009676900000000, -0.0013947900000000, -0.0000141800000000 ] - [ 0.0001012000000000, 0.0003998500000000, -0.0001228100000000 ] - [ -0.0008982100000000, 0.0012057700000000, 0.0005172800000000 ] - [ -0.0019381700000000, -0.0005301200000000, 0.0000890700000000 ] - [ 0.0016648300000000, -0.0004446300000000, -0.0015416100000000 ] - [ 0.0001757200000000, 0.0006693800000000, 0.0002166800000000 ] - [ -0.0004948800000000, -0.0007313900000000, 0.0000523800000000 ] - [ 0.0039820900000000, 0.0008341100000000, -0.0011084900000000 ] - [ -0.0002000800000000, 0.0007008100000000, -0.0000992500000000 ] - [ -0.0004626800000000, -0.0003026800000000, 0.0000471000000000 ] - [ 0.0041633000000000, 0.0010415400000000, 0.0013966400000000 ] - [ -0.0021779200000000, 0.0015877200000000, 0.0010632300000000 ] - [ -0.0010877600000000, 0.0016513400000000, -0.0011430100000000 ] - [ -0.0001541300000000, -0.0009149900000000, -0.0001551400000000 ] - [ 0.0000977900000000, 0.0008385100000000, -0.0001740700000000 ] - [ -0.0004581000000000, 0.0003451200000000, -0.0001241400000000 ] - [ 0.0000727100000000, -0.0004030400000000, -0.0002083000000000 ] - [ 0.0041480100000000, -0.0003763700000000, 0.0002488100000000 ] - [ 0.0005905400000000, 0.0009054500000000, -0.0001295500000000 ] - [ 0.0038485200000000, -0.0005162100000000, -0.0025312700000000 ] - [ -0.1012807700000000, 0.0073303200000000, 0.0000891000000000 ] - [ 0.0031652500000000, 0.0036635800000000, -0.0018577700000000 ] - [ -0.0013111400000000, -0.0010735100000000, 0.0000707100000000 ] - [ 0.0000163600000000, -0.0002062300000000, -0.0011554800000000 ] - [ 0.0010019200000000, -0.0006334000000000, 0.0034295800000000 ] - [ -0.0003265100000000, 0.0010339400000000, 0.0000140600000000 ] - [ 0.0005521000000000, 0.0005215000000000, 0.0001059300000000 ] - [ 0.0002013400000000, -0.0013656200000000, -0.0000339000000000 ] - [ -0.0017946900000000, 0.0001973100000000, -0.0000033200000000 ] - [ -0.0000937500000000, 0.0009223700000000, 0.0006513700000000 ] - [ 0.0009004800000000, -0.0016100900000000, 0.0000037600000000 ] - [ -0.0005735500000000, -0.0018766600000000, -0.0002902900000000 ] - [ 0.0005652700000000, -0.0006031000000000, -0.0001809700000000 ] - [ 0.0002328500000000, 0.0009894800000000, 0.0007066700000000 ] - [ 0.0021464600000000, 0.0002337300000000, 0.0006939700000000 ] - [ 0.0034074600000000, 0.0008250200000000, -0.0008039000000000 ] - [ 0.0008731900000000, -0.0011028900000000, 0.0006691200000000 ] - [ 0.0001784300000000, 0.0018608200000000, -0.0016332700000000 ] - [ 0.0032694400000000, -0.0136892200000000, -0.0024478500000000 ] - [ 0.0216275700000000, -0.0029511600000000, 0.0281794900000000 ] - [ -0.0009367300000000, 0.0028208300000000, 0.0009586800000000 ] - [ -0.0007484900000000, -0.0010880400000000, -0.0000218300000000 ] - [ -0.0091089900000000, 0.0038059000000000, 0.0034109600000000 ] - [ 0.0015637600000000, 0.0025146900000000, -0.0015545400000000 ] - [ -0.0000081300000000, 0.0006474800000000, 0.0002398200000000 ] - [ 0.0010324100000000, -0.0013151800000000, 0.0002595700000000 ] - [ -0.0009713400000000, -0.0020033700000000, 0.0006193200000000 ] - [ -0.0120142500000000, 0.0004832300000000, -0.0009257500000000 ] - [ 0.0015404300000000, 0.0016675300000000, -0.0001947700000000 ] - [ 0.0005023000000000, -0.0021534300000000, -0.0001171200000000 ] - [ 0.0029130000000000, -0.0009086900000000, -0.0010742200000000 ] - [ 0.0013592600000000, 0.0014989100000000, 0.0002536100000000 ] - [ 0.0050709600000000, -0.0028920800000000, 0.0056602200000000 ]- atom: 94 displacement: [ -0.0100000000000000, 0.0000000000071070, 0.0000000000000000 ] forces: - [ -0.0001228700000000, -0.0003584500000000, 0.0004481200000000 ] - [ -0.0004720100000000, 0.0004920300000000, -0.0000879000000000 ] - [ -0.0026959100000000, -0.0040262200000000, -0.0001822800000000 ] - [ -0.0010954800000000, -0.0001008400000000, 0.0001148700000000 ] - [ -0.0005752200000000, 0.0006980700000000, 0.0001191600000000 ] - [ 0.0006272200000000, 0.0020798400000000, 0.0001065500000000 ] - [ -0.0005137000000000, 0.0002531000000000, -0.0001088800000000 ] - [ 0.0040234000000000, -0.0011357800000000, 0.0005980000000000 ] - [ -0.0008818900000000, -0.0014185200000000, -0.0011903300000000 ] - [ 0.0007082900000000, 0.0006366900000000, 0.0000073500000000 ] - [ -0.0002431900000000, -0.0003619000000000, -0.0000725100000000 ] - [ -0.0005495900000000, 0.0003161500000000, -0.0000879700000000 ] - [ 0.0004136300000000, 0.0019925700000000, -0.0015347700000000 ] - [ -0.0005426500000000, -0.0002095600000000, -0.0000917900000000 ] - [ -0.0001327900000000, 0.0003087300000000, -0.0001029000000000 ] - [ 0.0009306400000000, -0.0002379800000000, -0.0002578800000000 ] - [ -0.0042074600000000, 0.0005987000000000, 0.0061682800000000 ] - [ 0.0002546400000000, -0.0006887600000000, 0.0000921800000000 ] - [ 0.0019381300000000, 0.0009896000000000, 0.0004862100000000 ] - [ 0.0008028300000000, -0.0000291100000000, 0.0000810500000000 ] - [ 0.0003702900000000, 0.0008069700000000, -0.0008471300000000 ] - [ 0.0006423000000000, -0.0004502400000000, -0.0000595600000000 ] - [ 0.0002214100000000, -0.0010870100000000, -0.0000940700000000 ] - [ -0.0003459800000000, 0.0004825500000000, -0.0002715600000000 ] - [ -0.0010987900000000, 0.0001430600000000, 0.0002377800000000 ] - [ 0.0062310500000000, 0.0046787500000000, 0.0040854600000000 ] - [ -0.0154336900000000, -0.0200876000000000, -0.0007730000000000 ] - [ -0.0086380200000000, 0.0080919400000000, 0.0176424500000000 ] - [ 0.0000254000000000, -0.0008425300000000, -0.0001004000000000 ] - [ 0.0017304100000000, 0.0014416000000000, -0.0002742200000000 ] - [ 0.0007885600000000, 0.0010106100000000, -0.0005034900000000 ] - [ 0.0007974900000000, -0.0012859300000000, 0.0004996600000000 ] - [ 0.0022714600000000, 0.0002535800000000, -0.0010487800000000 ] - [ 0.0000620600000000, 0.0004821700000000, -0.0002488800000000 ] - [ 0.0003179800000000, -0.0003342400000000, 0.0000675500000000 ] - [ 0.0014461400000000, 0.0001322700000000, 0.0002578500000000 ] - [ 0.0013086500000000, -0.0015413300000000, -0.0007375700000000 ] - [ 0.0002014900000000, 0.0011302300000000, -0.0000871700000000 ] - [ 0.0066038100000000, -0.0050779900000000, 0.0035773300000000 ] - [ 0.0053400900000000, -0.0013900500000000, 0.0020359700000000 ] - [ 0.0005706200000000, 0.0003216600000000, -0.0001142400000000 ] - [ 0.0014493600000000, -0.0000706500000000, -0.0007519800000000 ] - [ -0.0006197700000000, -0.0010136400000000, 0.0000300000000000 ] - [ -0.0047751900000000, 0.0009476800000000, -0.0007204700000000 ] - [ -0.0001648800000000, 0.0014105500000000, -0.0003654000000000 ] - [ 0.0006409300000000, -0.0000268500000000, 0.0000854900000000 ] - [ 0.0008047400000000, 0.0001272000000000, 0.0011496800000000 ] - [ 0.0009864400000000, 0.0005510400000000, -0.0006886800000000 ] - [ -0.0009338600000000, -0.0006359100000000, 0.0003943500000000 ] - [ -0.0001005600000000, -0.0006869700000000, 0.0003576000000000 ] - [ 0.0015297700000000, 0.0001161900000000, -0.0000444600000000 ] - [ 0.0002608000000000, 0.0004797600000000, 0.0002895800000000 ] - [ -0.0014843600000000, 0.0011236900000000, -0.0011322700000000 ] - [ 0.0001093100000000, -0.0005589300000000, -0.0000540600000000 ] - [ 0.0008082900000000, 0.0006168000000000, 0.0004869600000000 ] - [ -0.0015692700000000, 0.0007369400000000, 0.0012032700000000 ] - [ -0.0005717200000000, 0.0001685100000000, 0.0001186000000000 ] - [ 0.0016360700000000, 0.0014433600000000, -0.0021314300000000 ] - [ -0.0081032000000000, 0.0084330100000000, -0.0115234400000000 ] - [ -0.0003861600000000, 0.0000214900000000, 0.0000437700000000 ] - [ 0.0001122700000000, 0.0006618500000000, -0.0000563300000000 ] - [ 0.0002064700000000, -0.0015940800000000, 0.0005870300000000 ] - [ 0.0006064100000000, -0.0008401900000000, -0.0002173900000000 ] - [ -0.0003004900000000, 0.0012488800000000, 0.0002690200000000 ] - [ -0.0002887900000000, -0.0001139600000000, 0.0092719800000000 ] - [ -0.0002370800000000, -0.0034080400000000, -0.0023011000000000 ] - [ -0.0005728800000000, 0.0030541200000000, 0.0000927500000000 ] - [ 0.0012049700000000, -0.0000965600000000, -0.0000727400000000 ] - [ 0.0002524400000000, -0.0014546300000000, -0.0000213400000000 ] - [ -0.0550734700000000, 0.0037572100000000, 0.0041809600000000 ] - [ 0.0000099900000000, 0.0020544700000000, 0.0003079000000000 ] - [ -0.0016638000000000, -0.0032689200000000, 0.0012255400000000 ] - [ 0.0030090000000000, -0.0007485500000000, 0.0014313200000000 ] - [ 0.0006920700000000, 0.0014989000000000, 0.0005612800000000 ] - [ 0.0001453600000000, -0.0007486900000000, -0.0000807600000000 ] - [ 0.0011245100000000, -0.0010263100000000, 0.0000198200000000 ] - [ 0.0015480500000000, 0.0005388300000000, -0.0002878600000000 ] - [ -0.0014924500000000, 0.0008240700000000, 0.0013232300000000 ] - [ 0.0001625300000000, -0.0011241300000000, -0.0002238300000000 ] - [ -0.0000752100000000, 0.0006736400000000, -0.0000610100000000 ] - [ -0.0037359700000000, -0.0003176500000000, 0.0011011600000000 ] - [ 0.0000338100000000, -0.0010866300000000, 0.0001192400000000 ] - [ 0.0002272300000000, 0.0005858300000000, -0.0000313600000000 ] - [ -0.0037910700000000, -0.0009825200000000, -0.0013788300000000 ] - [ 0.0020522300000000, -0.0013470500000000, -0.0013272900000000 ] - [ 0.0013581600000000, -0.0016903000000000, 0.0008868800000000 ] - [ 0.0000178100000000, 0.0006190400000000, -0.0001129600000000 ] - [ -0.0002015100000000, -0.0007264400000000, 0.0002917200000000 ] - [ 0.0006125100000000, -0.0003110700000000, 0.0002450300000000 ] - [ -0.0000917600000000, 0.0002872000000000, 0.0003344100000000 ] - [ -0.0044711900000000, 0.0005951700000000, -0.0001602400000000 ] - [ -0.0006447900000000, -0.0013054000000000, 0.0002151900000000 ] - [ -0.0034994900000000, 0.0006917100000000, 0.0026607600000000 ] - [ 0.0961640600000000, -0.0065472200000000, -0.0008094900000000 ] - [ -0.0031990000000000, -0.0038850900000000, 0.0019158900000000 ] - [ 0.0015393500000000, 0.0011532700000000, -0.0000183400000000 ] - [ -0.0003228300000000, 0.0003792500000000, 0.0012131700000000 ] - [ -0.0010229500000000, 0.0002625100000000, -0.0033551300000000 ] - [ 0.0006380700000000, -0.0008612500000000, 0.0000473100000000 ] - [ -0.0008155500000000, -0.0003516200000000, -0.0000341500000000 ] - [ -0.0002087000000000, 0.0010562100000000, 0.0001027700000000 ] - [ 0.0020756100000000, -0.0000362800000000, 0.0000628700000000 ] - [ -0.0002331900000000, -0.0007340900000000, -0.0005275700000000 ] - [ -0.0009181900000000, 0.0012378400000000, 0.0001133000000000 ] - [ 0.0008908100000000, 0.0020506100000000, 0.0004080800000000 ] - [ -0.0008023400000000, 0.0007577800000000, 0.0001934000000000 ] - [ -0.0002292000000000, -0.0012782400000000, -0.0006979900000000 ] - [ -0.0018873700000000, -0.0000960800000000, -0.0006916800000000 ] - [ -0.0030326300000000, -0.0007958700000000, 0.0005844000000000 ] - [ -0.0010867500000000, 0.0014040300000000, -0.0008909700000000 ] - [ -0.0003333600000000, -0.0022088400000000, 0.0014105500000000 ] - [ -0.0036197500000000, 0.0133895700000000, 0.0026675600000000 ] - [ -0.0209647900000000, 0.0027252500000000, -0.0279167600000000 ] - [ 0.0008805800000000, -0.0023166700000000, -0.0007515800000000 ] - [ 0.0011357000000000, 0.0011056900000000, -0.0001999400000000 ] - [ 0.0088426700000000, -0.0034939300000000, -0.0035380600000000 ] - [ -0.0017311300000000, -0.0028508700000000, 0.0013162700000000 ] - [ -0.0003907900000000, -0.0008886100000000, 0.0000111800000000 ] - [ -0.0006322900000000, 0.0011126600000000, -0.0000033400000000 ] - [ 0.0009489700000000, 0.0024722100000000, -0.0003606800000000 ] - [ 0.0123091400000000, -0.0003386200000000, 0.0007610900000000 ] - [ -0.0017619100000000, -0.0013491200000000, 0.0000348400000000 ] - [ -0.0006720700000000, 0.0018008900000000, -0.0000461600000000 ] - [ -0.0033108900000000, 0.0006503500000000, 0.0012815400000000 ] - [ -0.0009613700000000, -0.0017010900000000, -0.0000370500000000 ] - [ -0.0051192200000000, 0.0034154200000000, -0.0055331300000000 ]- atom: 94 displacement: [ -0.0049999999943570, 0.0086602540411024, 0.0000000000000000 ] forces: - [ 0.0006821800000000, 0.0010482100000000, -0.0006830100000000 ] - [ -0.0000943300000000, 0.0006135500000000, -0.0001403100000000 ] - [ 0.0044559600000000, -0.0020429700000000, -0.0000740300000000 ] - [ -0.0007109400000000, -0.0000960100000000, -0.0000005300000000 ] - [ -0.0011917600000000, 0.0012287100000000, 0.0000432500000000 ] - [ -0.0014728800000000, 0.0012077800000000, -0.0000695700000000 ] - [ -0.0003894600000000, 0.0000779200000000, -0.0000032500000000 ] - [ 0.0029541300000000, -0.0045451000000000, 0.0011547000000000 ] - [ -0.0003235600000000, -0.0008747300000000, -0.0007006300000000 ] - [ 0.0009133300000000, 0.0014160600000000, 0.0002095200000000 ] - [ 0.0001246000000000, -0.0000453400000000, 0.0000363200000000 ] - [ -0.0005933200000000, -0.0002584800000000, -0.0000817900000000 ] - [ -0.0020365800000000, 0.0035892600000000, -0.0036830200000000 ] - [ -0.0005751500000000, 0.0002899800000000, 0.0000012600000000 ] - [ -0.0004431200000000, 0.0006694300000000, -0.0000947100000000 ] - [ 0.0010620600000000, -0.0004017300000000, 0.0015680100000000 ] - [ -0.0020153200000000, -0.0012510400000000, 0.0037818300000000 ] - [ 0.0007967100000000, 0.0001808100000000, -0.0000147800000000 ] - [ 0.0012917600000000, 0.0007564600000000, 0.0002806500000000 ] - [ -0.0001737600000000, -0.0003096600000000, 0.0002009100000000 ] - [ -0.0000814000000000, 0.0029433100000000, -0.0006866100000000 ] - [ 0.0011662300000000, -0.0007637100000000, -0.0000197100000000 ] - [ 0.0010200300000000, -0.0010432100000000, -0.0000772600000000 ] - [ -0.0009211400000000, -0.0005812900000000, 0.0006245800000000 ] - [ -0.0022786600000000, -0.0008478200000000, -0.0000895600000000 ] - [ 0.0037612400000000, 0.0035652000000000, 0.0029399900000000 ] - [ 0.0149722500000000, 0.0389148000000000, 0.0002233600000000 ] - [ -0.0121598100000000, 0.0182254200000000, 0.0315754600000000 ] - [ 0.0009579800000000, -0.0020048400000000, -0.0000199300000000 ] - [ 0.0008830900000000, 0.0003483000000000, -0.0001494700000000 ] - [ -0.0012159700000000, 0.0003810700000000, 0.0012937700000000 ] - [ 0.0002571500000000, -0.0008991600000000, 0.0003365700000000 ] - [ 0.0018510400000000, 0.0004835300000000, -0.0007395400000000 ] - [ -0.0005565700000000, 0.0005071600000000, 0.0004076800000000 ] - [ 0.0000877900000000, -0.0003208700000000, -0.0000510400000000 ] - [ 0.0011149200000000, 0.0002235600000000, 0.0001358600000000 ] - [ 0.0052528200000000, -0.0018701200000000, -0.0007235000000000 ] - [ -0.0008751100000000, -0.0006894700000000, 0.0000185300000000 ] - [ 0.0033483500000000, -0.0016783300000000, 0.0017200600000000 ] - [ 0.0024075500000000, 0.0017736000000000, 0.0011488900000000 ] - [ -0.0003600300000000, -0.0002269200000000, 0.0002419200000000 ] - [ 0.0010262400000000, 0.0001225300000000, -0.0002546500000000 ] - [ -0.0006418300000000, -0.0019453400000000, 0.0003722900000000 ] - [ -0.0049912900000000, 0.0028876000000000, 0.0006216700000000 ] - [ -0.0004562400000000, 0.0005354400000000, -0.0001237300000000 ] - [ -0.0006600500000000, -0.0005086400000000, -0.0005659900000000 ] - [ 0.0008926800000000, 0.0013062200000000, 0.0007150800000000 ] - [ 0.0007436500000000, 0.0006712900000000, -0.0006461900000000 ] - [ 0.0004206800000000, -0.0001144800000000, 0.0007174100000000 ] - [ 0.0002101900000000, -0.0010344000000000, 0.0002946900000000 ] - [ 0.0010480000000000, -0.0002274000000000, -0.0000528300000000 ] - [ 0.0003535900000000, -0.0007170200000000, 0.0002197000000000 ] - [ -0.0026219000000000, 0.0019572400000000, 0.0015676300000000 ] - [ 0.0000230200000000, -0.0011079200000000, -0.0001503500000000 ] - [ 0.0002555700000000, 0.0002404800000000, 0.0002931700000000 ] - [ -0.0014988300000000, 0.0020267500000000, 0.0026345400000000 ] - [ -0.0009963900000000, -0.0003574600000000, 0.0002553300000000 ] - [ 0.0003274500000000, 0.0007709500000000, -0.0010852400000000 ] - [ -0.0106883800000000, 0.0199712300000000, -0.0218272700000000 ] - [ -0.0006952100000000, -0.0009674300000000, 0.0006042300000000 ] - [ -0.0008865500000000, -0.0003104400000000, -0.0001094800000000 ] - [ 0.0003413700000000, 0.0000159900000000, 0.0002294600000000 ] - [ 0.0015302500000000, -0.0010593500000000, -0.0004728600000000 ] - [ -0.0007367100000000, 0.0003732000000000, 0.0000446700000000 ] - [ -0.0007812800000000, 0.0014428800000000, 0.0054883100000000 ] - [ 0.0000970000000000, -0.0045726600000000, -0.0038941700000000 ] - [ -0.0016268300000000, -0.0062517300000000, -0.0005200100000000 ] - [ 0.0016662400000000, -0.0005327700000000, 0.0000473000000000 ] - [ 0.0017854000000000, -0.0026351000000000, 0.0003667400000000 ] - [ -0.0343034600000000, 0.0046827500000000, 0.0013609900000000 ] - [ -0.0006319300000000, 0.0007244000000000, -0.0000208500000000 ] - [ 0.0001031800000000, -0.0075575900000000, 0.0004695200000000 ] - [ 0.0020940700000000, -0.0001192000000000, 0.0007694500000000 ] - [ -0.0014604900000000, 0.0001179900000000, -0.0005881100000000 ] - [ 0.0003392500000000, -0.0016767100000000, -0.0000037400000000 ] - [ 0.0008159600000000, -0.0006340200000000, 0.0001098400000000 ] - [ 0.0005285700000000, 0.0001510800000000, -0.0002105800000000 ] - [ -0.0003847900000000, 0.0059233100000000, -0.0004275100000000 ] - [ 0.0006737000000000, -0.0016107100000000, -0.0001254100000000 ] - [ 0.0002456300000000, -0.0012228400000000, 0.0001660100000000 ] - [ 0.0038754000000000, -0.0034348800000000, -0.0032778400000000 ] - [ 0.0005388400000000, -0.0019201100000000, 0.0002122300000000 ] - [ 0.0002646400000000, -0.0005783000000000, 0.0001771300000000 ] - [ 0.0024303200000000, -0.0039513900000000, 0.0036436600000000 ] - [ 0.0020486300000000, -0.0000372700000000, -0.0008408900000000 ] - [ 0.0026844200000000, -0.0004285600000000, 0.0008031500000000 ] - [ -0.0011458700000000, -0.0003658200000000, -0.0003036600000000 ] - [ 0.0007355500000000, -0.0006774200000000, -0.0005237700000000 ] - [ 0.0009695400000000, -0.0005269100000000, -0.0000168400000000 ] - [ -0.0005605300000000, -0.0005188000000000, -0.0006640200000000 ] - [ -0.0027028800000000, 0.0002791800000000, -0.0002260900000000 ] - [ 0.0005513100000000, 0.0002448300000000, -0.0000841600000000 ] - [ -0.0039704800000000, -0.0023175300000000, 0.0014474100000000 ] - [ 0.0552660800000000, -0.1046004600000000, -0.0100276600000000 ] - [ -0.0010479200000000, -0.0023550300000000, 0.0012552400000000 ] - [ 0.0025746000000000, 0.0042508200000000, -0.0002777300000000 ] - [ -0.0014111400000000, 0.0006561800000000, 0.0021178300000000 ] - [ 0.0001919900000000, -0.0006623900000000, -0.0023720400000000 ] - [ 0.0013614000000000, 0.0002937100000000, 0.0000777400000000 ] - [ -0.0010643100000000, 0.0005095100000000, -0.0000693600000000 ] - [ -0.0006571800000000, 0.0017973900000000, 0.0002063400000000 ] - [ 0.0018648200000000, 0.0003497100000000, -0.0037117200000000 ] - [ 0.0011964000000000, 0.0021514200000000, 0.0019420900000000 ] - [ -0.0014018300000000, 0.0013835800000000, 0.0001118700000000 ] - [ -0.0033681500000000, 0.0014232100000000, 0.0005955500000000 ] - [ -0.0000820200000000, 0.0010654800000000, 0.0001882700000000 ] - [ 0.0002034500000000, -0.0022544300000000, 0.0006952400000000 ] - [ -0.0012318300000000, -0.0002361800000000, -0.0003892300000000 ] - [ -0.0021383100000000, -0.0005571800000000, 0.0004811400000000 ] - [ -0.0001188600000000, 0.0016548700000000, -0.0004811100000000 ] - [ 0.0029034900000000, -0.0041174500000000, -0.0017949400000000 ] - [ -0.0125543000000000, 0.0239146900000000, 0.0093689700000000 ] - [ -0.0111890700000000, -0.0010547700000000, -0.0159842900000000 ] - [ 0.0028144500000000, 0.0003454500000000, -0.0001743000000000 ] - [ 0.0011931500000000, 0.0030002100000000, -0.0008881500000000 ] - [ 0.0083321900000000, -0.0147504300000000, -0.0063600400000000 ] - [ -0.0002890800000000, -0.0013763600000000, 0.0004718800000000 ] - [ 0.0007642300000000, 0.0012482100000000, -0.0000875500000000 ] - [ -0.0016023800000000, 0.0018516100000000, 0.0002641700000000 ] - [ -0.0010283600000000, 0.0006945100000000, 0.0003368500000000 ] - [ -0.0071819400000000, 0.0284495200000000, 0.0004525000000000 ] - [ -0.0019636900000000, 0.0010484300000000, -0.0005369900000000 ] - [ -0.0025234000000000, 0.0039338200000000, -0.0002886200000000 ] - [ -0.0027782500000000, -0.0000249100000000, 0.0008280800000000 ] - [ 0.0016928700000000, 0.0003210500000000, 0.0001948500000000 ] - [ -0.0047977800000000, -0.0005722300000000, -0.0026010700000000 ]- atom: 94 displacement: [ 0.0049999999943570, -0.0086602540411024, 0.0000000000000000 ] forces: - [ -0.0007140700000000, -0.0009958900000000, 0.0009755900000000 ] - [ -0.0001720400000000, -0.0004380000000000, -0.0000832400000000 ] - [ -0.0045413200000000, 0.0017185600000000, -0.0001525000000000 ] - [ 0.0010013800000000, 0.0001560900000000, -0.0002275900000000 ] - [ 0.0012312400000000, -0.0012341600000000, 0.0002486300000000 ] - [ 0.0015504200000000, -0.0011159200000000, 0.0003732600000000 ] - [ 0.0003853100000000, 0.0000472100000000, 0.0000039900000000 ] - [ -0.0031645000000000, 0.0046951300000000, -0.0011286800000000 ] - [ 0.0002194900000000, 0.0006015800000000, 0.0007352100000000 ] - [ -0.0006741200000000, -0.0014001900000000, -0.0001737400000000 ] - [ -0.0001592500000000, 0.0000248100000000, -0.0000381300000000 ] - [ 0.0007109100000000, 0.0002853800000000, 0.0000836700000000 ] - [ 0.0020058300000000, -0.0034336200000000, 0.0035908100000000 ] - [ 0.0003373000000000, -0.0001176700000000, -0.0001801900000000 ] - [ 0.0003355100000000, -0.0009727300000000, -0.0000846600000000 ] - [ -0.0007949500000000, 0.0004335400000000, -0.0017536300000000 ] - [ 0.0019872400000000, 0.0012277700000000, -0.0038394600000000 ] - [ -0.0006654300000000, -0.0001424400000000, -0.0000292200000000 ] - [ -0.0012183300000000, -0.0007467200000000, -0.0001962600000000 ] - [ 0.0001309100000000, 0.0003608400000000, -0.0001249400000000 ] - [ 0.0000540300000000, -0.0030045700000000, 0.0007631200000000 ] - [ -0.0012762200000000, 0.0003183900000000, -0.0003243000000000 ] - [ -0.0005749400000000, 0.0011627400000000, -0.0002711700000000 ] - [ 0.0005910200000000, 0.0008995900000000, -0.0009741300000000 ] - [ 0.0023357800000000, 0.0005507600000000, 0.0006456100000000 ] - [ -0.0040350700000000, -0.0034619800000000, -0.0023605800000000 ] - [ -0.0156861300000000, -0.0408828000000000, -0.0005121100000000 ] - [ 0.0120627300000000, -0.0175599900000000, -0.0296412400000000 ] - [ -0.0013512200000000, 0.0020185500000000, -0.0002060500000000 ] - [ -0.0006881900000000, 0.0000480800000000, -0.0000792600000000 ] - [ 0.0015742400000000, -0.0008231400000000, -0.0013658800000000 ] - [ -0.0008255800000000, 0.0008233400000000, -0.0004114700000000 ] - [ -0.0016438200000000, 0.0000447700000000, 0.0006704100000000 ] - [ 0.0003882900000000, -0.0009083700000000, -0.0004250800000000 ] - [ -0.0003328500000000, 0.0006142300000000, 0.0000298200000000 ] - [ -0.0007491500000000, -0.0001602400000000, -0.0001628300000000 ] - [ -0.0053869000000000, 0.0020987900000000, 0.0004431200000000 ] - [ 0.0011343100000000, 0.0006779000000000, -0.0002843100000000 ] - [ -0.0034585400000000, 0.0013682400000000, -0.0019770300000000 ] - [ -0.0025021300000000, -0.0016409000000000, -0.0010667600000000 ] - [ 0.0005174300000000, 0.0002467400000000, -0.0001629700000000 ] - [ -0.0010575700000000, -0.0002312800000000, 0.0003427600000000 ] - [ 0.0006904100000000, 0.0019623700000000, -0.0003018400000000 ] - [ 0.0049734500000000, -0.0028665400000000, -0.0005720100000000 ] - [ 0.0004464700000000, -0.0005795700000000, 0.0001815600000000 ] - [ 0.0005639800000000, 0.0000598700000000, 0.0002301200000000 ] - [ -0.0004562900000000, -0.0011636100000000, -0.0010517000000000 ] - [ -0.0010875300000000, -0.0003707700000000, 0.0003078500000000 ] - [ -0.0003546000000000, -0.0001744500000000, -0.0001348400000000 ] - [ -0.0004883500000000, 0.0011236800000000, 0.0002974300000000 ] - [ -0.0007969800000000, -0.0001320400000000, -0.0002041400000000 ] - [ -0.0001312700000000, 0.0009044800000000, 0.0003617100000000 ] - [ 0.0022417700000000, -0.0019522000000000, -0.0018205100000000 ] - [ 0.0001571600000000, 0.0014992700000000, -0.0001066200000000 ] - [ 0.0000775700000000, -0.0007062000000000, -0.0003501200000000 ] - [ 0.0009163400000000, -0.0020606500000000, -0.0027132900000000 ] - [ 0.0012345100000000, 0.0008768700000000, -0.0003030600000000 ] - [ -0.0004947600000000, -0.0011738700000000, 0.0011391100000000 ] - [ 0.0104674100000000, -0.0197062600000000, 0.0212602600000000 ] - [ 0.0010601500000000, 0.0010300700000000, -0.0005538900000000 ] - [ 0.0007717300000000, 0.0005439400000000, -0.0001187700000000 ] - [ -0.0000721900000000, -0.0000453800000000, -0.0004581600000000 ] - [ -0.0016679400000000, 0.0007715700000000, 0.0002421100000000 ] - [ 0.0006266500000000, -0.0002659300000000, 0.0000260000000000 ] - [ 0.0009322200000000, -0.0014075100000000, -0.0054107800000000 ] - [ -0.0001063400000000, 0.0044947100000000, 0.0039759800000000 ] - [ 0.0016834000000000, 0.0062272800000000, 0.0006568400000000 ] - [ -0.0016944000000000, 0.0005633000000000, 0.0000795100000000 ] - [ -0.0017995600000000, 0.0025901000000000, -0.0002371900000000 ] - [ 0.0354670000000000, -0.0048532000000000, -0.0015618800000000 ] - [ 0.0010626100000000, -0.0005823600000000, -0.0003307400000000 ] - [ -0.0004370400000000, 0.0078285500000000, -0.0008536600000000 ] - [ -0.0020391500000000, -0.0001638700000000, -0.0002303500000000 ] - [ 0.0011882000000000, -0.0000203700000000, 0.0011344800000000 ] - [ -0.0000936000000000, 0.0013250200000000, -0.0001987300000000 ] - [ -0.0005891200000000, 0.0008058300000000, 0.0004259500000000 ] - [ -0.0009163200000000, -0.0001392100000000, 0.0000098400000000 ] - [ 0.0005623700000000, -0.0055447000000000, 0.0002184300000000 ] - [ -0.0003316300000000, 0.0011577800000000, 0.0001207900000000 ] - [ -0.0008152100000000, 0.0011693300000000, -0.0001759100000000 ] - [ -0.0036428000000000, 0.0039783000000000, 0.0032804400000000 ] - [ -0.0007019400000000, 0.0015317300000000, -0.0001943100000000 ] - [ -0.0004992200000000, 0.0008649000000000, -0.0001603100000000 ] - [ -0.0020669700000000, 0.0040353400000000, -0.0036397400000000 ] - [ -0.0021762800000000, 0.0002676600000000, 0.0005751600000000 ] - [ -0.0023985200000000, 0.0004140600000000, -0.0010629500000000 ] - [ 0.0010100700000000, 0.0000676800000000, 0.0000353400000000 ] - [ -0.0008422900000000, 0.0007858900000000, 0.0006460900000000 ] - [ -0.0008120000000000, 0.0005634400000000, 0.0001356600000000 ] - [ 0.0005447300000000, 0.0004077000000000, 0.0007920000000000 ] - [ 0.0023738000000000, -0.0000542400000000, 0.0003138800000000 ] - [ -0.0006048200000000, -0.0006419400000000, 0.0001698300000000 ] - [ 0.0043252400000000, 0.0024653200000000, -0.0013524700000000 ] - [ -0.0554133000000000, 0.1057463500000000, 0.0090583300000000 ] - [ 0.0010009300000000, 0.0021198300000000, -0.0011945800000000 ] - [ -0.0023249600000000, -0.0041451000000000, 0.0003272900000000 ] - [ 0.0010995000000000, -0.0004862200000000, -0.0020578900000000 ] - [ -0.0002189600000000, 0.0002962500000000, 0.0024337800000000 ] - [ -0.0010461700000000, -0.0001258100000000, -0.0000152900000000 ] - [ 0.0007981300000000, -0.0003448400000000, 0.0001402300000000 ] - [ 0.0006506200000000, -0.0021052800000000, -0.0001340100000000 ] - [ -0.0015897700000000, -0.0001900600000000, 0.0037912000000000 ] - [ -0.0015281600000000, -0.0019700000000000, -0.0018202700000000 ] - [ 0.0013811500000000, -0.0017646900000000, 0.0000042100000000 ] - [ 0.0037066600000000, -0.0012425300000000, -0.0004822000000000 ] - [ -0.0001543700000000, -0.0009058200000000, -0.0001754100000000 ] - [ -0.0002121700000000, 0.0019746600000000, -0.0006803100000000 ] - [ 0.0014942800000000, 0.0003750300000000, 0.0003970200000000 ] - [ 0.0025134400000000, 0.0005839600000000, -0.0007039700000000 ] - [ -0.0000932300000000, -0.0013468500000000, 0.0002587300000000 ] - [ -0.0030767200000000, 0.0037799800000000, 0.0015613200000000 ] - [ 0.0120786300000000, -0.0241185500000000, -0.0089474300000000 ] - [ 0.0116525800000000, 0.0009061500000000, 0.0161540800000000 ] - [ -0.0028563700000000, 0.0001471700000000, 0.0003765300000000 ] - [ -0.0008025600000000, -0.0029755200000000, 0.0006587100000000 ] - [ -0.0085572500000000, 0.0150744500000000, 0.0062206900000000 ] - [ 0.0001206300000000, 0.0010271000000000, -0.0007000300000000 ] - [ -0.0011664200000000, -0.0014950300000000, 0.0003385900000000 ] - [ 0.0019951000000000, -0.0020570800000000, -0.0000057500000000 ] - [ 0.0010141700000000, -0.0002131000000000, -0.0000808700000000 ] - [ 0.0074558600000000, -0.0286740400000000, -0.0006157400000000 ] - [ 0.0017376400000000, -0.0007418500000000, 0.0003771800000000 ] - [ 0.0023464200000000, -0.0042836200000000, 0.0001222700000000 ] - [ 0.0023818300000000, -0.0002223600000000, -0.0006207600000000 ] - [ -0.0012951500000000, -0.0005172700000000, 0.0000217200000000 ] - [ 0.0047667900000000, 0.0010310900000000, 0.0028056100000000 ]- atom: 94 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000360200000000, 0.0000523000000000, 0.0000856500000000 ] - [ -0.0000155200000000, 0.0002282600000000, -0.0002215700000000 ] - [ 0.0000472500000000, -0.0000696200000000, -0.0016548400000000 ] - [ 0.0002065800000000, -0.0000114900000000, -0.0004161300000000 ] - [ -0.0008187300000000, 0.0008496600000000, 0.0000579600000000 ] - [ 0.0000852000000000, -0.0001438300000000, 0.0002084800000000 ] - [ -0.0001434100000000, 0.0000719700000000, 0.0001381200000000 ] - [ 0.0001025400000000, -0.0006748600000000, 0.0098528100000000 ] - [ 0.0001344600000000, -0.0000788200000000, 0.0004159600000000 ] - [ 0.0007554900000000, 0.0009189700000000, 0.0003867900000000 ] - [ 0.0000250700000000, -0.0000038000000000, 0.0001357000000000 ] - [ 0.0003072300000000, -0.0001136000000000, 0.0010368400000000 ] - [ 0.0024318900000000, -0.0059803800000000, -0.0016966100000000 ] - [ -0.0001748000000000, 0.0000456000000000, -0.0000817300000000 ] - [ 0.0000311700000000, -0.0000986400000000, -0.0000919700000000 ] - [ -0.0005975000000000, 0.0017907000000000, 0.0001226900000000 ] - [ -0.0037314800000000, 0.0005513900000000, -0.0018170400000000 ] - [ 0.0000266400000000, -0.0000589600000000, -0.0002114700000000 ] - [ 0.0000580800000000, 0.0000245700000000, -0.0001932100000000 ] - [ -0.0000588700000000, -0.0000388700000000, -0.0000892300000000 ] - [ 0.0008723400000000, 0.0011625000000000, -0.0011985100000000 ] - [ 0.0001778400000000, -0.0003234700000000, -0.0006829700000000 ] - [ 0.0004504000000000, -0.0003091700000000, -0.0006304000000000 ] - [ -0.0001185700000000, 0.0004634700000000, -0.0005304700000000 ] - [ -0.0008100200000000, -0.0005733600000000, 0.0003165700000000 ] - [ -0.0008378600000000, -0.0002102300000000, 0.0006203300000000 ] - [ 0.0012756100000000, 0.0032151500000000, 0.0018827400000000 ] - [ -0.0176150300000000, 0.0240378400000000, 0.0529947000000000 ] - [ 0.0000261800000000, -0.0006574300000000, 0.0001149500000000 ] - [ 0.0000837000000000, 0.0002030600000000, 0.0000691800000000 ] - [ 0.0005995600000000, 0.0004350400000000, 0.0002154200000000 ] - [ -0.0003442600000000, -0.0001132900000000, -0.0000514400000000 ] - [ 0.0007510400000000, 0.0003967500000000, -0.0001622600000000 ] - [ 0.0000465600000000, 0.0001443200000000, -0.0021224000000000 ] - [ -0.0000597700000000, 0.0000020700000000, -0.0003207500000000 ] - [ 0.0001606200000000, 0.0000440000000000, -0.0005327600000000 ] - [ 0.0063063100000000, -0.0032021600000000, 0.0003843400000000 ] - [ -0.0001266200000000, -0.0001642100000000, -0.0000843400000000 ] - [ -0.0007222300000000, 0.0003885100000000, 0.0000283600000000 ] - [ -0.0007552100000000, 0.0003005500000000, 0.0031530100000000 ] - [ -0.0002078700000000, -0.0001573900000000, 0.0004943700000000 ] - [ -0.0000416400000000, -0.0000098700000000, 0.0004503300000000 ] - [ 0.0002760800000000, 0.0024813900000000, -0.0009652000000000 ] - [ 0.0063458400000000, -0.0021695200000000, -0.0063638100000000 ] - [ 0.0001224900000000, 0.0002384200000000, -0.0000666200000000 ] - [ -0.0002312100000000, -0.0003396300000000, -0.0002686300000000 ] - [ -0.0021010100000000, 0.0003714600000000, 0.0001131800000000 ] - [ -0.0001539000000000, 0.0000396300000000, -0.0001100200000000 ] - [ 0.0003030900000000, -0.0006004700000000, -0.0005462800000000 ] - [ 0.0000276600000000, 0.0000585000000000, -0.0000717700000000 ] - [ 0.0001948600000000, -0.0002499400000000, -0.0003056900000000 ] - [ 0.0001840800000000, -0.0000598000000000, 0.0000255000000000 ] - [ 0.0011183400000000, 0.0024028600000000, -0.0027178800000000 ] - [ 0.0000314000000000, -0.0003110900000000, -0.0002842400000000 ] - [ 0.0008652100000000, 0.0002807600000000, -0.0005730800000000 ] - [ -0.0011037700000000, 0.0018408800000000, -0.0102954100000000 ] - [ 0.0003145400000000, 0.0004094000000000, -0.0006101100000000 ] - [ 0.0006583100000000, 0.0000773300000000, 0.0005531900000000 ] - [ 0.0135899700000000, -0.0258478800000000, 0.0440879800000000 ] - [ 0.0001448700000000, 0.0003253400000000, 0.0007677500000000 ] - [ -0.0001331300000000, 0.0000606100000000, -0.0003089000000000 ] - [ 0.0005714000000000, -0.0004623600000000, -0.0007940400000000 ] - [ -0.0001850900000000, 0.0002907500000000, -0.0010607100000000 ] - [ -0.0003068400000000, -0.0000391800000000, -0.0002627700000000 ] - [ -0.0030608900000000, 0.0007026300000000, -0.0033862700000000 ] - [ 0.0001092900000000, -0.0053967200000000, -0.0047655000000000 ] - [ -0.0000293800000000, -0.0000995700000000, 0.0000248700000000 ] - [ 0.0001747000000000, 0.0000176300000000, 0.0004509800000000 ] - [ 0.0002551700000000, -0.0004159700000000, 0.0004195200000000 ] - [ 0.0008136600000000, -0.0007456500000000, 0.0036412600000000 ] - [ -0.0000009300000000, 0.0000692500000000, 0.0001558900000000 ] - [ -0.0007944500000000, -0.0045911400000000, 0.0053133700000000 ] - [ -0.0007661600000000, -0.0000657500000000, 0.0006331000000000 ] - [ -0.0008482300000000, -0.0008656300000000, 0.0007303700000000 ] - [ 0.0001100700000000, 0.0004378200000000, -0.0000963800000000 ] - [ 0.0001568200000000, 0.0000030800000000, 0.0003639600000000 ] - [ 0.0000562200000000, 0.0000870500000000, -0.0001426900000000 ] - [ -0.0016633700000000, -0.0058155100000000, -0.0048249700000000 ] - [ 0.0003919200000000, -0.0001057000000000, 0.0004436600000000 ] - [ -0.0001626800000000, -0.0002054300000000, 0.0001947100000000 ] - [ 0.0001579500000000, -0.0007563600000000, 0.0012066200000000 ] - [ 0.0000725600000000, -0.0008957900000000, 0.0002573100000000 ] - [ -0.0001178600000000, 0.0001422500000000, 0.0000963300000000 ] - [ 0.0007097400000000, 0.0008195100000000, 0.0010088000000000 ] - [ 0.0003215400000000, 0.0000362400000000, 0.0003355600000000 ] - [ -0.0018991600000000, 0.0014477100000000, 0.0007992800000000 ] - [ -0.0001342000000000, -0.0004306700000000, -0.0000537300000000 ] - [ 0.0000848600000000, -0.0001012300000000, 0.0000116300000000 ] - [ 0.0001178300000000, 0.0001815100000000, -0.0003468200000000 ] - [ -0.0001824100000000, -0.0007391000000000, -0.0002678100000000 ] - [ 0.0002463700000000, 0.0000971300000000, -0.0000541700000000 ] - [ -0.0002019000000000, -0.0002773600000000, -0.0001787700000000 ] - [ -0.0032871700000000, -0.0020457000000000, -0.0009942000000000 ] - [ 0.0015002500000000, -0.0127154900000000, -0.1289941800000000 ] - [ 0.0002354100000000, 0.0000849500000000, -0.0009142700000000 ] - [ 0.0013414200000000, 0.0015151400000000, -0.0009180800000000 ] - [ 0.0008112600000000, -0.0032215500000000, 0.0049049900000000 ] - [ -0.0020594500000000, -0.0001849800000000, 0.0050193200000000 ] - [ 0.0001820600000000, 0.0000404800000000, 0.0004883700000000 ] - [ -0.0003190700000000, 0.0001845700000000, 0.0001382400000000 ] - [ -0.0003034300000000, 0.0004725200000000, 0.0004069500000000 ] - [ 0.0008360600000000, -0.0011372700000000, 0.0011030000000000 ] - [ -0.0001674600000000, 0.0003716500000000, -0.0001586700000000 ] - [ 0.0003068700000000, -0.0010904700000000, -0.0002748700000000 ] - [ -0.0004885000000000, 0.0004812400000000, -0.0002946700000000 ] - [ -0.0000490800000000, -0.0000012600000000, 0.0001105800000000 ] - [ 0.0037674500000000, 0.0020034100000000, 0.0010843200000000 ] - [ 0.0003025300000000, 0.0000494700000000, 0.0003774200000000 ] - [ -0.0001002100000000, 0.0001200100000000, 0.0006296900000000 ] - [ -0.0000393800000000, 0.0006036000000000, 0.0002137500000000 ] - [ -0.0027845900000000, -0.0029683900000000, 0.0021245600000000 ] - [ -0.0094745800000000, 0.0245139800000000, -0.0011540700000000 ] - [ 0.0106952100000000, -0.0017050400000000, 0.0022587800000000 ] - [ 0.0010684900000000, 0.0004517400000000, -0.0000010000000000 ] - [ -0.0009923800000000, -0.0017988700000000, -0.0000081600000000 ] - [ -0.0056573400000000, 0.0106844400000000, 0.0372903400000000 ] - [ -0.0010330700000000, -0.0007977700000000, -0.0001339900000000 ] - [ -0.0000651100000000, 0.0002070800000000, 0.0010370700000000 ] - [ -0.0000781500000000, -0.0002761500000000, 0.0011219100000000 ] - [ -0.0005243700000000, 0.0009550500000000, 0.0006959600000000 ] - [ 0.0001341200000000, 0.0001817800000000, -0.0032176500000000 ] - [ -0.0003250100000000, 0.0002304000000000, -0.0003325600000000 ] - [ -0.0006882100000000, 0.0006264900000000, -0.0009303900000000 ] - [ -0.0004684100000000, -0.0000836900000000, -0.0002958300000000 ] - [ 0.0009886400000000, 0.0007305700000000, -0.0001019500000000 ] - [ 0.0044666200000000, -0.0001469000000000, -0.0025684500000000 ]- atom: 94 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000660200000000, 0.0000012500000000, 0.0002057700000000 ] - [ -0.0002532200000000, -0.0000547700000000, -0.0000014900000000 ] - [ -0.0001286400000000, -0.0002522300000000, 0.0014293400000000 ] - [ 0.0000849300000000, 0.0000711200000000, 0.0001876400000000 ] - [ 0.0008609800000000, -0.0008545100000000, 0.0002338500000000 ] - [ -0.0000174000000000, 0.0002366300000000, 0.0000906900000000 ] - [ 0.0001408100000000, 0.0000529400000000, -0.0001371700000000 ] - [ -0.0003238400000000, 0.0008394700000000, -0.0097076900000000 ] - [ -0.0002359700000000, -0.0001923100000000, -0.0003827100000000 ] - [ -0.0005165300000000, -0.0009024100000000, -0.0003531200000000 ] - [ -0.0000613000000000, -0.0000195700000000, -0.0001372800000000 ] - [ -0.0001914400000000, 0.0001443200000000, -0.0010342000000000 ] - [ -0.0024590900000000, 0.0061269900000000, 0.0016502000000000 ] - [ -0.0000618400000000, 0.0001277900000000, -0.0000962100000000 ] - [ -0.0001387700000000, -0.0002046700000000, -0.0000856900000000 ] - [ 0.0008756400000000, -0.0017710400000000, -0.0002966000000000 ] - [ 0.0037115600000000, -0.0005959400000000, 0.0017801600000000 ] - [ 0.0001037100000000, 0.0000988600000000, 0.0001688000000000 ] - [ 0.0000151000000000, -0.0000133300000000, 0.0002793000000000 ] - [ 0.0000184300000000, 0.0000915900000000, 0.0001652400000000 ] - [ -0.0008897100000000, -0.0012309800000000, 0.0012762600000000 ] - [ -0.0002893500000000, -0.0001225500000000, 0.0003389300000000 ] - [ -0.0000048600000000, 0.0004339800000000, 0.0002855900000000 ] - [ -0.0002144500000000, -0.0001426200000000, 0.0001839600000000 ] - [ 0.0008762400000000, 0.0002784500000000, 0.0002436000000000 ] - [ 0.0005603000000000, 0.0003108000000000, -0.0000342500000000 ] - [ -0.0007902500000000, -0.0030897600000000, -0.0020440700000000 ] - [ 0.0166208100000000, -0.0220083900000000, -0.0501889000000000 ] - [ -0.0004195900000000, 0.0006778600000000, -0.0003411800000000 ] - [ 0.0001081600000000, 0.0001920400000000, -0.0002979300000000 ] - [ -0.0002349500000000, -0.0008717000000000, -0.0002784400000000 ] - [ -0.0002229300000000, 0.0000376300000000, -0.0000215600000000 ] - [ -0.0005445300000000, 0.0001313600000000, 0.0000958800000000 ] - [ -0.0002033300000000, -0.0005392900000000, 0.0021060400000000 ] - [ -0.0001851300000000, 0.0002929200000000, 0.0002976100000000 ] - [ 0.0002052400000000, 0.0000191800000000, 0.0005065200000000 ] - [ -0.0064358200000000, 0.0034190200000000, -0.0006541200000000 ] - [ 0.0003880500000000, 0.0001539300000000, -0.0001808900000000 ] - [ 0.0006148700000000, -0.0006852600000000, -0.0002754100000000 ] - [ 0.0006469900000000, -0.0001754900000000, -0.0030815200000000 ] - [ 0.0003678300000000, 0.0001794400000000, -0.0004159900000000 ] - [ 0.0000104200000000, -0.0000971100000000, -0.0003612300000000 ] - [ -0.0002262300000000, -0.0024704200000000, 0.0010339300000000 ] - [ -0.0063849200000000, 0.0022022300000000, 0.0064526400000000 ] - [ -0.0001320600000000, -0.0002867300000000, 0.0001233000000000 ] - [ 0.0001387100000000, -0.0001077800000000, -0.0000673300000000 ] - [ 0.0025502500000000, -0.0002394300000000, -0.0004582800000000 ] - [ -0.0001891800000000, 0.0002635900000000, -0.0002320000000000 ] - [ -0.0002425100000000, 0.0003208500000000, 0.0011316600000000 ] - [ -0.0003058000000000, 0.0000289100000000, 0.0006642900000000 ] - [ 0.0000556500000000, -0.0001094000000000, 0.0000500700000000 ] - [ 0.0000372700000000, 0.0002475400000000, 0.0005565300000000 ] - [ -0.0014820500000000, -0.0023662700000000, 0.0024556100000000 ] - [ 0.0001516600000000, 0.0007062400000000, 0.0000287900000000 ] - [ -0.0005413100000000, -0.0007543000000000, 0.0005131300000000 ] - [ 0.0005307900000000, -0.0018877200000000, 0.0101796900000000 ] - [ -0.0000742000000000, 0.0001085500000000, 0.0005607700000000 ] - [ -0.0008306200000000, -0.0004816900000000, -0.0005026800000000 ] - [ -0.0147416900000000, 0.0277626400000000, -0.0471576800000000 ] - [ 0.0002221100000000, -0.0002620900000000, -0.0007239400000000 ] - [ 0.0000185900000000, 0.0001734500000000, 0.0000809300000000 ] - [ -0.0003079700000000, 0.0004477500000000, 0.0005652900000000 ] - [ 0.0000484500000000, -0.0005822900000000, 0.0008308200000000 ] - [ 0.0001983800000000, 0.0001439100000000, 0.0003364200000000 ] - [ 0.0031730300000000, -0.0006547100000000, 0.0034710000000000 ] - [ -0.0001138800000000, 0.0053118400000000, 0.0048608900000000 ] - [ 0.0000749400000000, 0.0000902900000000, 0.0001087000000000 ] - [ -0.0002068100000000, 0.0000123400000000, -0.0003244500000000 ] - [ -0.0002639300000000, 0.0003668900000000, -0.0002897500000000 ] - [ -0.0013133600000000, 0.0002868200000000, -0.0040327500000000 ] - [ 0.0004340600000000, 0.0000708700000000, -0.0005088000000000 ] - [ 0.0004536000000000, 0.0048900000000000, -0.0056657200000000 ] - [ 0.0008183100000000, -0.0002180100000000, -0.0000994300000000 ] - [ 0.0005802100000000, 0.0009676600000000, -0.0001892300000000 ] - [ 0.0001372700000000, -0.0007908200000000, -0.0001071900000000 ] - [ 0.0000717100000000, 0.0001698100000000, 0.0001720700000000 ] - [ -0.0004499300000000, -0.0000772000000000, -0.0000591200000000 ] - [ 0.0018465700000000, 0.0062145100000000, 0.0046440700000000 ] - [ -0.0000509600000000, -0.0003483000000000, -0.0004499200000000 ] - [ -0.0004088400000000, 0.0001526600000000, -0.0002052700000000 ] - [ 0.0000749600000000, 0.0012675300000000, -0.0012224900000000 ] - [ -0.0002374600000000, 0.0005089300000000, -0.0002370200000000 ] - [ -0.0001180900000000, 0.0001438500000000, -0.0000786600000000 ] - [ -0.0003512500000000, -0.0007702700000000, -0.0009801700000000 ] - [ -0.0004417600000000, 0.0001985600000000, -0.0006049200000000 ] - [ 0.0021778300000000, -0.0014666900000000, -0.0010696500000000 ] - [ -0.0000014100000000, 0.0001353900000000, -0.0002148700000000 ] - [ -0.0001905100000000, 0.0002143200000000, 0.0001034500000000 ] - [ 0.0000383400000000, -0.0001457800000000, 0.0004640800000000 ] - [ 0.0001646400000000, 0.0006306200000000, 0.0003938100000000 ] - [ -0.0005768500000000, 0.0001254600000000, 0.0001408100000000 ] - [ 0.0001459000000000, -0.0001247000000000, 0.0002634000000000 ] - [ 0.0036448000000000, 0.0022027300000000, 0.0010745500000000 ] - [ 0.0005837200000000, 0.0087868300000000, 0.1301373200000000 ] - [ -0.0002803200000000, -0.0003159700000000, 0.0009757300000000 ] - [ -0.0011082400000000, -0.0014280100000000, 0.0009720400000000 ] - [ -0.0011269200000000, 0.0034006300000000, -0.0048491900000000 ] - [ 0.0020555900000000, -0.0001841100000000, -0.0049635200000000 ] - [ 0.0001318700000000, 0.0001292400000000, -0.0004275500000000 ] - [ 0.0000554800000000, -0.0000193800000000, -0.0000685000000000 ] - [ 0.0002961900000000, -0.0007814000000000, -0.0003384600000000 ] - [ -0.0005392800000000, 0.0012790200000000, -0.0010483600000000 ] - [ -0.0001599700000000, -0.0001887200000000, 0.0002836600000000 ] - [ -0.0003224900000000, 0.0007093900000000, 0.0003922000000000 ] - [ 0.0008066800000000, -0.0002991700000000, 0.0004171900000000 ] - [ -0.0001890700000000, 0.0001597800000000, -0.0000962300000000 ] - [ -0.0038013300000000, -0.0022904800000000, -0.0010671100000000 ] - [ -0.0000380100000000, 0.0000881400000000, -0.0003680100000000 ] - [ 0.0004770700000000, -0.0000929900000000, -0.0008545800000000 ] - [ -0.0001767100000000, -0.0002974900000000, -0.0004390600000000 ] - [ 0.0025702700000000, 0.0026233800000000, -0.0023645300000000 ] - [ 0.0090616800000000, -0.0248007100000000, 0.0013950800000000 ] - [ -0.0102319900000000, 0.0015025200000000, -0.0021655200000000 ] - [ -0.0011192000000000, 0.0000444500000000, 0.0002018800000000 ] - [ 0.0013844700000000, 0.0018277100000000, -0.0002139500000000 ] - [ 0.0053792900000000, -0.0102865200000000, -0.0378671400000000 ] - [ 0.0008727300000000, 0.0004563600000000, -0.0000871100000000 ] - [ -0.0003357500000000, -0.0004570800000000, -0.0007855000000000 ] - [ 0.0004707300000000, 0.0000733000000000, -0.0008620300000000 ] - [ 0.0005131200000000, -0.0004921600000000, -0.0004383500000000 ] - [ 0.0002493300000000, -0.0000850600000000, 0.0030625600000000 ] - [ 0.0001038800000000, 0.0000791600000000, 0.0001733100000000 ] - [ 0.0005143900000000, -0.0009750000000000, 0.0007645100000000 ] - [ 0.0000666000000000, -0.0001671000000000, 0.0005061500000000 ] - [ -0.0005939600000000, -0.0009332500000000, 0.0003183800000000 ] - [ -0.0044953900000000, 0.0006188800000000, 0.0028076000000000 ]- atom: 109 displacement: [ 0.0100000000000000, -0.0000000000071070, 0.0000000000000000 ] forces: - [ 0.0002140100000000, -0.0010003600000000, 0.0002000900000000 ] - [ -0.0006143700000000, 0.0005532300000000, 0.0007220100000000 ] - [ 0.0010772300000000, -0.0015397300000000, -0.0005947700000000 ] - [ -0.0085081600000000, 0.0003522900000000, -0.0038971000000000 ] - [ 0.0005306500000000, 0.0033120000000000, -0.0007026900000000 ] - [ 0.0006905800000000, 0.0012408100000000, 0.0004248800000000 ] - [ 0.0013710200000000, 0.0053087100000000, -0.0069213600000000 ] - [ 0.0019552700000000, 0.0000945500000000, 0.0000757000000000 ] - [ 0.0117998700000000, -0.0063939000000000, -0.0001278900000000 ] - [ 0.0007056000000000, 0.0007302700000000, -0.0000448300000000 ] - [ -0.0005130200000000, -0.0012499700000000, -0.0001630300000000 ] - [ 0.0095044100000000, -0.0002113100000000, 0.0058440900000000 ] - [ 0.0010748300000000, 0.0002864500000000, -0.0002560900000000 ] - [ -0.0019987000000000, 0.0004047700000000, -0.0009491000000000 ] - [ 0.0001934600000000, 0.0006836400000000, 0.0000383800000000 ] - [ 0.0005205800000000, -0.0004665800000000, -0.0001742000000000 ] - [ 0.0003804800000000, 0.0003774400000000, 0.0003878800000000 ] - [ 0.0004758200000000, -0.0005872000000000, 0.0000259200000000 ] - [ 0.1055819500000000, 0.0984872500000000, -0.0029106600000000 ] - [ 0.0021504500000000, 0.0000199100000000, 0.0002087700000000 ] - [ -0.0080124600000000, 0.0076418800000000, -0.0006585000000000 ] - [ 0.0062149200000000, -0.0052430000000000, 0.0002344700000000 ] - [ -0.0000886600000000, -0.0014832300000000, -0.0002165800000000 ] - [ -0.0002299600000000, 0.0018750400000000, -0.0007767300000000 ] - [ -0.0016715200000000, 0.0001789200000000, -0.0002956900000000 ] - [ -0.0059911400000000, -0.0011741900000000, -0.0031115800000000 ] - [ -0.0013834100000000, 0.0006287600000000, -0.0000020000000000 ] - [ -0.0024789700000000, 0.0008892800000000, 0.0007554500000000 ] - [ -0.0007524500000000, -0.0008937500000000, -0.0003734600000000 ] - [ 0.0045340500000000, 0.0001750700000000, -0.0025720900000000 ] - [ 0.0000833600000000, 0.0033549800000000, 0.0011618600000000 ] - [ 0.0017669800000000, -0.0064611800000000, -0.0004177300000000 ] - [ 0.1095162000000000, -0.0023707000000000, -0.0977370900000000 ] - [ -0.0007450300000000, 0.0027706600000000, -0.0011922100000000 ] - [ 0.0009567600000000, -0.0028497100000000, 0.0019221600000000 ] - [ 0.1057391700000000, -0.0043315800000000, 0.0907067500000000 ] - [ -0.0059290900000000, -0.0027870200000000, 0.0005041500000000 ] - [ -0.0001312300000000, 0.0018266900000000, -0.0004167100000000 ] - [ -0.0036207100000000, -0.0016822100000000, -0.0015326500000000 ] - [ -0.0023167800000000, 0.0005950800000000, 0.0024961400000000 ] - [ 0.0006038700000000, 0.0007107600000000, -0.0001636300000000 ] - [ 0.0019750100000000, 0.0001945200000000, -0.0046818800000000 ] - [ -0.0013964100000000, -0.0013612000000000, -0.0002357900000000 ] - [ -0.0029290300000000, 0.0000214100000000, 0.0006172200000000 ] - [ 0.0005209600000000, 0.0010654700000000, 0.0009851200000000 ] - [ 0.0006250600000000, 0.0003502700000000, 0.0000484100000000 ] - [ -0.0021608600000000, 0.0012859600000000, -0.0008923700000000 ] - [ 0.0042483200000000, 0.0030498200000000, -0.0019080400000000 ] - [ -0.0014066600000000, -0.0004500100000000, 0.0001900000000000 ] - [ -0.0011055000000000, -0.0023550500000000, 0.0009231700000000 ] - [ 0.1144995100000000, -0.0941329000000000, 0.0022057000000000 ] - [ -0.0001827800000000, 0.0050191900000000, 0.0021695700000000 ] - [ -0.0044900800000000, 0.0022094100000000, -0.0000571400000000 ] - [ -0.0004122900000000, -0.0018885400000000, 0.0002253900000000 ] - [ -0.0029027000000000, 0.0010158200000000, 0.0052170000000000 ] - [ -0.0020789500000000, 0.0004848300000000, -0.0006767500000000 ] - [ -0.0009963800000000, 0.0001156200000000, 0.0005722000000000 ] - [ 0.0004522900000000, 0.0001546000000000, 0.0005540000000000 ] - [ -0.0017279400000000, 0.0005703400000000, 0.0000418500000000 ] - [ -0.0005213700000000, -0.0001637800000000, 0.0000367800000000 ] - [ -0.0005562000000000, 0.0015057400000000, -0.0000331500000000 ] - [ -0.0018935500000000, -0.0024912500000000, 0.0008788900000000 ] - [ -0.0028797100000000, -0.0043692200000000, -0.0010627000000000 ] - [ -0.0021063100000000, 0.0025462200000000, -0.0006055400000000 ] - [ -0.0026593700000000, -0.0005094300000000, 0.0009654100000000 ] - [ -0.0019608600000000, -0.0011159500000000, -0.0005205500000000 ] - [ -0.0001993300000000, 0.0007286100000000, 0.0000096200000000 ] - [ 0.0037650400000000, -0.0024780400000000, 0.0003023000000000 ] - [ 0.0000679500000000, -0.0013678900000000, -0.0001300700000000 ] - [ -0.0036431700000000, -0.0006869400000000, -0.0022892600000000 ] - [ -0.0004079000000000, 0.0014518300000000, -0.0005046800000000 ] - [ -0.0022661200000000, -0.0013000100000000, 0.0009537800000000 ] - [ -0.0002917200000000, -0.0006253300000000, -0.0016242800000000 ] - [ 0.0002755600000000, 0.0021007700000000, 0.0000437000000000 ] - [ -0.0000941200000000, -0.0010739100000000, 0.0001741300000000 ] - [ 0.0004151800000000, -0.0001670100000000, -0.0002613000000000 ] - [ 0.0069402600000000, -0.0021207200000000, 0.0020804100000000 ] - [ -0.0017503300000000, 0.0002253000000000, -0.0003201200000000 ] - [ -0.0003887100000000, -0.0016639000000000, -0.0006038300000000 ] - [ 0.0007421000000000, 0.0000942100000000, -0.0009037400000000 ] - [ -0.0004225800000000, 0.0003710400000000, 0.0001717000000000 ] - [ -0.0004504000000000, -0.0015849000000000, 0.0001696900000000 ] - [ 0.0013617500000000, 0.0034057800000000, -0.0055448800000000 ] - [ -0.0008931300000000, 0.0000459300000000, -0.0000694400000000 ] - [ 0.0009567500000000, -0.0000401200000000, -0.0007687400000000 ] - [ -0.0009418000000000, -0.0021672300000000, 0.0000119400000000 ] - [ -0.0004284400000000, 0.0009708200000000, -0.0001091500000000 ] - [ -0.0002249600000000, -0.0010654800000000, 0.0006862900000000 ] - [ 0.0005938500000000, -0.0025830900000000, -0.0007538200000000 ] - [ -0.0001067000000000, 0.0015167000000000, 0.0009292100000000 ] - [ 0.0048717400000000, 0.0135706100000000, 0.0157567100000000 ] - [ -0.0012552700000000, -0.0027837600000000, 0.0003858300000000 ] - [ 0.0220935800000000, -0.0004384000000000, -0.0102389500000000 ] - [ 0.0031273100000000, -0.0007509000000000, -0.0002625500000000 ] - [ -0.0000448300000000, -0.0023063600000000, 0.0037760100000000 ] - [ 0.0014227400000000, 0.0011123700000000, 0.0003813400000000 ] - [ 0.0027832100000000, 0.0005444800000000, 0.0006828900000000 ] - [ 0.0033699100000000, 0.0013932200000000, -0.0015607000000000 ] - [ 0.0015380600000000, -0.0013314700000000, -0.0008102200000000 ] - [ -0.0123102600000000, -0.0154103300000000, -0.0000226400000000 ] - [ 0.0009220300000000, 0.0020191400000000, -0.0003596100000000 ] - [ 0.0018443700000000, -0.0014655000000000, 0.0002054700000000 ] - [ 0.0002146200000000, -0.0005196400000000, -0.0001593600000000 ] - [ -0.0002398300000000, 0.0024126200000000, 0.0010617100000000 ] - [ 0.0004963300000000, 0.0006119400000000, -0.0001936100000000 ] - [ -0.0010619900000000, 0.0006925700000000, -0.0011839300000000 ] - [ 0.0019937200000000, -0.0026167100000000, 0.0010312200000000 ] - [ -0.0169839600000000, 0.0011249700000000, 0.0118148800000000 ] - [ -0.4526015400000000, 0.0049894600000000, 0.0031700200000000 ] - [ -0.0031698400000000, 0.0054668100000000, -0.0024060000000000 ] - [ 0.0060344800000000, -0.0108072100000000, -0.0005731300000000 ] - [ 0.0065796100000000, 0.0009238200000000, -0.0002742700000000 ] - [ 0.0084368300000000, 0.0030742200000000, 0.0016288200000000 ] - [ 0.0022170500000000, -0.0029434400000000, 0.0015866400000000 ] - [ 0.0016630400000000, 0.0016001700000000, -0.0007422200000000 ] - [ 0.0041363900000000, -0.0001979300000000, 0.0005122800000000 ] - [ -0.0026950600000000, -0.0044868300000000, -0.0074172100000000 ] - [ 0.0009632200000000, -0.0043479400000000, 0.0005815200000000 ] - [ 0.0025510000000000, 0.0097040900000000, 0.0009490400000000 ] - [ 0.0019211300000000, 0.0035903300000000, -0.0004419500000000 ] - [ 0.0016644000000000, -0.0010662900000000, 0.0000242900000000 ] - [ -0.0076927400000000, 0.0016287900000000, 0.0046613100000000 ] - [ 0.0005328300000000, 0.0022653300000000, 0.0002568500000000 ] - [ -0.0004972600000000, 0.0007446300000000, 0.0034173200000000 ] - [ -0.0004730500000000, -0.0027151300000000, -0.0000127100000000 ] - [ 0.0044289200000000, 0.0022071200000000, -0.0013316500000000 ]- atom: 109 displacement: [ -0.0100000000000000, 0.0000000000071070, 0.0000000000000000 ] forces: - [ -0.0002439300000000, 0.0010474700000000, 0.0000939400000000 ] - [ 0.0003460400000000, -0.0003745600000000, -0.0009424700000000 ] - [ -0.0011765000000000, 0.0012072300000000, 0.0003642600000000 ] - [ 0.0088109700000000, -0.0002975300000000, 0.0036930600000000 ] - [ -0.0004972600000000, -0.0033126600000000, 0.0009839200000000 ] - [ -0.0006187600000000, -0.0011550900000000, -0.0001246200000000 ] - [ -0.0013499300000000, -0.0052259300000000, 0.0069321500000000 ] - [ -0.0021671600000000, 0.0000571700000000, -0.0000334000000000 ] - [ -0.0120412400000000, 0.0062397400000000, 0.0001642200000000 ] - [ -0.0004665000000000, -0.0007080600000000, 0.0000795200000000 ] - [ 0.0004727400000000, 0.0012260900000000, 0.0001600800000000 ] - [ -0.0093102900000000, 0.0002230400000000, -0.0057359500000000 ] - [ -0.0010998700000000, -0.0001539100000000, 0.0002039000000000 ] - [ 0.0017636000000000, -0.0002350600000000, 0.0007639900000000 ] - [ -0.0003009400000000, -0.0009860400000000, -0.0002146500000000 ] - [ -0.0002497500000000, 0.0004928300000000, -0.0000038800000000 ] - [ -0.0004089400000000, -0.0004230600000000, -0.0004453600000000 ] - [ -0.0003455900000000, 0.0006294700000000, -0.0000695500000000 ] - [ -0.1075695000000000, -0.1028944200000000, 0.0030151900000000 ] - [ -0.0021825400000000, 0.0000271800000000, -0.0001329900000000 ] - [ 0.0079224100000000, -0.0076314400000000, 0.0007495600000000 ] - [ -0.0063118500000000, 0.0047563000000000, -0.0005959100000000 ] - [ 0.0005305500000000, 0.0016098500000000, -0.0001263500000000 ] - [ -0.0001038900000000, -0.0015482200000000, 0.0004262300000000 ] - [ 0.0017392400000000, -0.0004791800000000, 0.0008533100000000 ] - [ 0.0057648300000000, 0.0012859800000000, 0.0037257800000000 ] - [ 0.0016290100000000, -0.0009909300000000, -0.0002249600000000 ] - [ 0.0027054100000000, -0.0006999100000000, -0.0001942400000000 ] - [ 0.0003556400000000, 0.0009075800000000, 0.0001467200000000 ] - [ -0.0043654600000000, 0.0002163200000000, 0.0023379500000000 ] - [ 0.0002834000000000, -0.0037759400000000, -0.0012201900000000 ] - [ -0.0023318300000000, 0.0063451600000000, 0.0003381100000000 ] - [ -0.1075392900000000, 0.0028019300000000, 0.0934210100000000 ] - [ 0.0005815800000000, -0.0031560900000000, 0.0011610500000000 ] - [ -0.0012021200000000, 0.0031252800000000, -0.0019356200000000 ] - [ -0.1040368000000000, 0.0042970400000000, -0.0869670000000000 ] - [ 0.0057883200000000, 0.0029962200000000, -0.0007578900000000 ] - [ 0.0003891300000000, -0.0018454900000000, 0.0001506500000000 ] - [ 0.0034774300000000, 0.0014175300000000, 0.0012655700000000 ] - [ 0.0022453600000000, -0.0004815300000000, -0.0024092100000000 ] - [ -0.0004393300000000, -0.0006915100000000, 0.0002403600000000 ] - [ -0.0020239200000000, -0.0003064800000000, 0.0047673600000000 ] - [ 0.0014426800000000, 0.0013690400000000, 0.0002968000000000 ] - [ 0.0029016400000000, 0.0000122100000000, -0.0005681100000000 ] - [ -0.0005394000000000, -0.0011251700000000, -0.0009359100000000 ] - [ -0.0007142300000000, -0.0008010300000000, -0.0003788700000000 ] - [ 0.0026200100000000, -0.0011543400000000, 0.0005456400000000 ] - [ -0.0046099100000000, -0.0027510300000000, 0.0015649800000000 ] - [ 0.0014706000000000, 0.0001679200000000, 0.0003910500000000 ] - [ 0.0008267800000000, 0.0024346600000000, -0.0003339000000000 ] - [ -0.1162962100000000, 0.0982625600000000, -0.0025377900000000 ] - [ 0.0003982900000000, -0.0048042700000000, -0.0015763900000000 ] - [ 0.0040870500000000, -0.0021799600000000, -0.0001974400000000 ] - [ 0.0005900400000000, 0.0022683100000000, -0.0004790800000000 ] - [ 0.0032636100000000, -0.0015074500000000, -0.0053399100000000 ] - [ 0.0014963300000000, -0.0005193000000000, 0.0006105500000000 ] - [ 0.0012361100000000, 0.0003989500000000, -0.0006199900000000 ] - [ -0.0006344900000000, -0.0005638200000000, -0.0005074200000000 ] - [ 0.0014826000000000, -0.0002712200000000, 0.0000087300000000 ] - [ 0.0008863200000000, 0.0002239700000000, 0.0000070300000000 ] - [ 0.0004355300000000, -0.0012720600000000, -0.0001966200000000 ] - [ 0.0021570200000000, 0.0024830600000000, -0.0011105100000000 ] - [ 0.0027355900000000, 0.0040503800000000, 0.0008113600000000 ] - [ 0.0019912700000000, -0.0024530800000000, 0.0006773100000000 ] - [ 0.0028172600000000, 0.0005614400000000, -0.0008993300000000 ] - [ 0.0019466900000000, 0.0009966400000000, 0.0006006000000000 ] - [ 0.0002509900000000, -0.0007059200000000, 0.0001275100000000 ] - [ -0.0037936900000000, 0.0025134000000000, -0.0001807400000000 ] - [ -0.0000806200000000, 0.0013208800000000, 0.0002588500000000 ] - [ 0.0035641900000000, 0.0002565300000000, 0.0019534300000000 ] - [ 0.0008372100000000, -0.0013203500000000, 0.0001553100000000 ] - [ 0.0019218400000000, 0.0015889100000000, -0.0012983000000000 ] - [ 0.0003800900000000, 0.0003395300000000, 0.0021861500000000 ] - [ -0.0005443300000000, -0.0020025300000000, 0.0005000000000000 ] - [ 0.0003439700000000, 0.0007100100000000, -0.0003765900000000 ] - [ -0.0001900200000000, 0.0003333600000000, 0.0007961900000000 ] - [ -0.0073683000000000, 0.0021305600000000, -0.0022862300000000 ] - [ 0.0019341800000000, 0.0001762600000000, 0.0001144000000000 ] - [ 0.0007330300000000, 0.0012135400000000, 0.0006005100000000 ] - [ -0.0013179600000000, -0.0001426100000000, 0.0008869800000000 ] - [ 0.0006423900000000, 0.0001509200000000, -0.0001669700000000 ] - [ 0.0002855600000000, 0.0011946400000000, -0.0001485800000000 ] - [ -0.0015998100000000, -0.0030988900000000, 0.0055330600000000 ] - [ 0.0012417100000000, 0.0000182200000000, 0.0000800700000000 ] - [ -0.0011000200000000, 0.0002690600000000, 0.0005050800000000 ] - [ 0.0012282600000000, 0.0021498500000000, -0.0002801600000000 ] - [ 0.0002936900000000, -0.0012671700000000, -0.0001581900000000 ] - [ 0.0001147600000000, 0.0011808200000000, -0.0005720600000000 ] - [ -0.0004226300000000, 0.0026261500000000, 0.0008593600000000 ] - [ 0.0000874800000000, -0.0016191400000000, -0.0007977600000000 ] - [ -0.0051393800000000, -0.0134102200000000, -0.0156740500000000 ] - [ 0.0011862800000000, 0.0023816800000000, -0.0002991800000000 ] - [ -0.0216226300000000, 0.0005764600000000, 0.0101493900000000 ] - [ -0.0033128100000000, 0.0009033400000000, 0.0003158600000000 ] - [ 0.0000236800000000, 0.0021002100000000, -0.0037431000000000 ] - [ -0.0011897900000000, -0.0010179900000000, -0.0003302400000000 ] - [ -0.0030907900000000, -0.0003604000000000, -0.0006168800000000 ] - [ -0.0034071800000000, -0.0017856600000000, 0.0016307400000000 ] - [ -0.0012214100000000, 0.0015096800000000, 0.0008714700000000 ] - [ 0.0120127600000000, 0.0155350700000000, 0.0000923400000000 ] - [ -0.0009231100000000, -0.0023223000000000, 0.0004268300000000 ] - [ -0.0015569900000000, 0.0016093500000000, -0.0001395400000000 ] - [ -0.0005431600000000, 0.0006931700000000, 0.0002760800000000 ] - [ 0.0002158200000000, -0.0028012200000000, -0.0009415800000000 ] - [ -0.0001671800000000, -0.0004295900000000, 0.0003120900000000 ] - [ 0.0008221200000000, -0.0005240100000000, 0.0011927400000000 ] - [ -0.0020149800000000, 0.0023381800000000, -0.0010082500000000 ] - [ 0.0172874100000000, -0.0009963700000000, -0.0118600700000000 ] - [ 0.4538722500000000, -0.0046935300000000, -0.0027835000000000 ] - [ 0.0029454800000000, -0.0051216200000000, 0.0021707900000000 ] - [ -0.0061945500000000, 0.0103740500000000, 0.0003438700000000 ] - [ -0.0069647900000000, -0.0011976900000000, 0.0004655500000000 ] - [ -0.0080428500000000, -0.0033331900000000, -0.0014330600000000 ] - [ -0.0022635100000000, 0.0034525000000000, -0.0013840700000000 ] - [ -0.0012735500000000, -0.0015606400000000, 0.0005182000000000 ] - [ -0.0043609000000000, 0.0004905300000000, -0.0007274700000000 ] - [ 0.0025725900000000, 0.0041897000000000, 0.0072526700000000 ] - [ -0.0013576600000000, 0.0040838000000000, -0.0003231400000000 ] - [ -0.0021799900000000, -0.0098785600000000, -0.0006404800000000 ] - [ -0.0019316700000000, -0.0031285900000000, 0.0007005800000000 ] - [ -0.0012726900000000, 0.0010848500000000, -0.0001899700000000 ] - [ 0.0074802300000000, -0.0013257700000000, -0.0047919900000000 ] - [ -0.0007045500000000, -0.0026137700000000, -0.0004274400000000 ] - [ 0.0001137400000000, -0.0009925400000000, -0.0032113000000000 ] - [ 0.0008620000000000, 0.0025158600000000, 0.0002280600000000 ] - [ -0.0045139400000000, -0.0017235800000000, 0.0015503200000000 ]- atom: 109 displacement: [ -0.0049999999943570, 0.0086602540411024, 0.0000000000000000 ] forces: - [ -0.0008222600000000, 0.0021697800000000, -0.0000724500000000 ] - [ -0.0003317500000000, 0.0012176200000000, 0.0004456000000000 ] - [ -0.0008509600000000, 0.0004414600000000, 0.0003761100000000 ] - [ 0.0045158100000000, -0.0039694300000000, 0.0021555600000000 ] - [ 0.0021239200000000, -0.0013368400000000, -0.0012059300000000 ] - [ 0.0006679100000000, 0.0006218100000000, 0.0002121300000000 ] - [ 0.0047016500000000, 0.0040510400000000, -0.0043781900000000 ] - [ -0.0009090500000000, -0.0001736100000000, -0.0000561500000000 ] - [ -0.0156310600000000, -0.0006660700000000, -0.0001268600000000 ] - [ -0.0007063900000000, 0.0004931200000000, 0.0001410600000000 ] - [ -0.0009424300000000, 0.0016029200000000, -0.0003789100000000 ] - [ -0.0055286200000000, -0.0014110200000000, -0.0036462600000000 ] - [ -0.0003561200000000, -0.0001547400000000, 0.0001444300000000 ] - [ 0.0009282600000000, 0.0003941700000000, 0.0018926500000000 ] - [ 0.0002688700000000, 0.0004510900000000, 0.0001935000000000 ] - [ 0.0004802600000000, 0.0008223900000000, -0.0001518600000000 ] - [ 0.0000032500000000, -0.0011671300000000, 0.0000361100000000 ] - [ -0.0006666500000000, 0.0007730400000000, -0.0000801000000000 ] - [ 0.0331594700000000, 0.0942521300000000, -0.0018262200000000 ] - [ 0.0013158300000000, -0.0020358700000000, -0.0000948700000000 ] - [ 0.0057693200000000, -0.0036651400000000, 0.0000293600000000 ] - [ -0.0128921300000000, -0.0022835200000000, -0.0050095400000000 ] - [ -0.0004556500000000, -0.0007928900000000, -0.0001883500000000 ] - [ -0.0002929200000000, -0.0031376800000000, 0.0008067300000000 ] - [ 0.0026173900000000, -0.0011869900000000, 0.0009385200000000 ] - [ 0.0033109800000000, 0.0063973600000000, 0.0014708000000000 ] - [ 0.0007641800000000, -0.0010360400000000, -0.0002575200000000 ] - [ 0.0010136700000000, 0.0003568800000000, 0.0000504600000000 ] - [ -0.0004980000000000, -0.0008353500000000, -0.0002388000000000 ] - [ -0.0017656700000000, 0.0009606600000000, 0.0050058500000000 ] - [ 0.0011289900000000, -0.0024741200000000, -0.0007941000000000 ] - [ -0.0003881400000000, -0.0039516900000000, 0.0002778400000000 ] - [ -0.0556770300000000, 0.0317849400000000, 0.0504673500000000 ] - [ 0.0011603900000000, -0.0021493100000000, 0.0010463900000000 ] - [ -0.0003884100000000, -0.0030183800000000, 0.0006962100000000 ] - [ -0.0553814600000000, 0.0314895000000000, -0.0475003500000000 ] - [ 0.0024898600000000, 0.0027922100000000, -0.0000895300000000 ] - [ 0.0013831600000000, -0.0028613200000000, 0.0002669200000000 ] - [ -0.0051911800000000, 0.0016989600000000, -0.0012827000000000 ] - [ 0.0009077500000000, 0.0003513400000000, -0.0010806200000000 ] - [ 0.0009725000000000, -0.0011138800000000, -0.0003613800000000 ] - [ -0.0020230500000000, -0.0003571600000000, -0.0035214900000000 ] - [ 0.0003940300000000, 0.0001710100000000, -0.0000615900000000 ] - [ 0.0011056500000000, 0.0005081700000000, -0.0002260300000000 ] - [ 0.0006142900000000, -0.0001112600000000, -0.0007339500000000 ] - [ 0.0009949800000000, -0.0012793000000000, 0.0004087100000000 ] - [ 0.0012977500000000, 0.0001359800000000, 0.0003329400000000 ] - [ -0.0022553300000000, 0.0001819000000000, 0.0019208800000000 ] - [ -0.0011347700000000, -0.0007051500000000, 0.0002090500000000 ] - [ -0.0030460700000000, -0.0014713600000000, -0.0011965900000000 ] - [ -0.1501558000000000, 0.2032331900000000, -0.0027732400000000 ] - [ 0.0024357600000000, -0.0083495000000000, -0.0027981000000000 ] - [ 0.0027346200000000, -0.0016025700000000, -0.0001023400000000 ] - [ -0.0007006000000000, -0.0024132600000000, 0.0000032200000000 ] - [ 0.0040431600000000, 0.0032957200000000, -0.0029848500000000 ] - [ 0.0002189300000000, 0.0002821200000000, 0.0001979500000000 ] - [ 0.0017349200000000, -0.0002695800000000, -0.0005817500000000 ] - [ 0.0006903000000000, 0.0014041100000000, -0.0010002200000000 ] - [ 0.0003993800000000, 0.0001638900000000, -0.0000482800000000 ] - [ 0.0010162300000000, -0.0003144300000000, 0.0000952800000000 ] - [ 0.0020019400000000, -0.0020573400000000, -0.0001760600000000 ] - [ -0.0022293400000000, -0.0007077900000000, 0.0004789300000000 ] - [ -0.0008707800000000, 0.0039903700000000, -0.0007838100000000 ] - [ 0.0038972400000000, -0.0032940600000000, 0.0012957800000000 ] - [ 0.0005582300000000, 0.0015687600000000, 0.0000594700000000 ] - [ 0.0007336200000000, 0.0004491700000000, 0.0006689200000000 ] - [ -0.0004280500000000, -0.0020296700000000, 0.0000357700000000 ] - [ -0.0040091700000000, 0.0016735700000000, 0.0014481200000000 ] - [ -0.0002875700000000, -0.0009753000000000, 0.0000625400000000 ] - [ 0.0007137200000000, 0.0012325500000000, 0.0001380200000000 ] - [ 0.0017089000000000, -0.0009700500000000, 0.0002446200000000 ] - [ 0.0008049000000000, 0.0008721200000000, -0.0006986600000000 ] - [ 0.0006393100000000, 0.0010357600000000, 0.0013854200000000 ] - [ 0.0002522200000000, -0.0011540900000000, 0.0003617300000000 ] - [ 0.0004978100000000, -0.0016802500000000, -0.0000590800000000 ] - [ -0.0000309900000000, -0.0013714100000000, 0.0001037800000000 ] - [ -0.0024600500000000, 0.0035886500000000, -0.0045081700000000 ] - [ 0.0010155100000000, 0.0002427700000000, 0.0000701900000000 ] - [ -0.0005816600000000, -0.0008198200000000, -0.0003045100000000 ] - [ -0.0003989400000000, -0.0014628000000000, 0.0020281800000000 ] - [ -0.0005834000000000, -0.0002397100000000, 0.0001069700000000 ] - [ -0.0010392700000000, -0.0007686500000000, 0.0003758200000000 ] - [ -0.0005829900000000, -0.0048408000000000, 0.0079204100000000 ] - [ -0.0002495300000000, -0.0007056800000000, -0.0001598700000000 ] - [ -0.0024486000000000, -0.0004441800000000, -0.0002230600000000 ] - [ 0.0004692700000000, 0.0023487000000000, -0.0003909700000000 ] - [ 0.0015523200000000, -0.0019859500000000, -0.0001896800000000 ] - [ -0.0004967500000000, -0.0007649000000000, 0.0001100800000000 ] - [ -0.0017521600000000, 0.0016845200000000, -0.0020380900000000 ] - [ 0.0001087000000000, -0.0029433200000000, -0.0013396000000000 ] - [ 0.0097089400000000, 0.0090401800000000, 0.0101974200000000 ] - [ -0.0015445400000000, 0.0030396400000000, 0.0008406400000000 ] - [ -0.0122342900000000, -0.0012814100000000, 0.0063570000000000 ] - [ -0.0009961800000000, 0.0003263900000000, 0.0002659000000000 ] - [ -0.0032700800000000, -0.0016953800000000, -0.0026477300000000 ] - [ -0.0011783200000000, 0.0001008300000000, -0.0003984700000000 ] - [ -0.0001145400000000, -0.0004397100000000, -0.0003255300000000 ] - [ -0.0003602200000000, -0.0036911200000000, -0.0004354500000000 ] - [ -0.0025174900000000, 0.0016545200000000, 0.0013958800000000 ] - [ 0.0062745300000000, 0.0367264300000000, 0.0001806100000000 ] - [ 0.0018420600000000, 0.0015908000000000, -0.0005669200000000 ] - [ 0.0002961700000000, 0.0024521100000000, 0.0000748000000000 ] - [ -0.0015428600000000, 0.0021179100000000, 0.0005891300000000 ] - [ 0.0023341200000000, -0.0017407300000000, -0.0001177000000000 ] - [ 0.0012453900000000, 0.0010735100000000, -0.0000663100000000 ] - [ -0.0006002500000000, 0.0022138800000000, -0.0009639400000000 ] - [ -0.0014482000000000, 0.0009321000000000, -0.0009410600000000 ] - [ 0.0088337900000000, -0.0064868800000000, -0.0063471100000000 ] - [ 0.2366862200000000, -0.3923296100000000, -0.0021815900000000 ] - [ -0.0005874200000000, 0.0069291900000000, -0.0011119300000000 ] - [ -0.0057119500000000, 0.0065953300000000, -0.0002091400000000 ] - [ -0.0027292000000000, -0.0012534900000000, 0.0000857200000000 ] - [ 0.0009060000000000, -0.0085006300000000, 0.0005835300000000 ] - [ -0.0041545800000000, 0.0046963000000000, -0.0026555600000000 ] - [ -0.0014721300000000, 0.0009512700000000, 0.0003894200000000 ] - [ -0.0017261200000000, -0.0000704100000000, -0.0002662500000000 ] - [ -0.0037780000000000, -0.0009435400000000, 0.0058666100000000 ] - [ -0.0034510200000000, 0.0082583600000000, -0.0003794900000000 ] - [ 0.0083113100000000, -0.0053196500000000, 0.0095682900000000 ] - [ 0.0019620700000000, 0.0020945600000000, 0.0002209600000000 ] - [ 0.0008338100000000, 0.0022841800000000, -0.0000446800000000 ] - [ 0.0062247500000000, 0.0007687900000000, -0.0097534300000000 ] - [ 0.0009130500000000, 0.0013558100000000, 0.0000700300000000 ] - [ 0.0030500100000000, 0.0023019900000000, 0.0006693200000000 ] - [ -0.0018205900000000, 0.0027848100000000, 0.0000350400000000 ] - [ -0.0030605600000000, -0.0022114600000000, 0.0010263000000000 ]- atom: 109 displacement: [ 0.0049999999943570, -0.0086602540411024, 0.0000000000000000 ] forces: - [ 0.0007888000000000, -0.0021153400000000, 0.0003663100000000 ] - [ 0.0000614100000000, -0.0010446300000000, -0.0006729300000000 ] - [ 0.0007575100000000, -0.0007712400000000, -0.0006068400000000 ] - [ -0.0042270300000000, 0.0040206500000000, -0.0023622100000000 ] - [ -0.0020830500000000, 0.0013174000000000, 0.0014934000000000 ] - [ -0.0005963000000000, -0.0005284200000000, 0.0000887300000000 ] - [ -0.0047406000000000, -0.0039119500000000, 0.0043905500000000 ] - [ 0.0007013500000000, 0.0003277500000000, 0.0000967800000000 ] - [ 0.0154264100000000, 0.0004398800000000, 0.0001613300000000 ] - [ 0.0009456800000000, -0.0004786900000000, -0.0001071100000000 ] - [ 0.0009089600000000, -0.0016300900000000, 0.0003798100000000 ] - [ 0.0056702500000000, 0.0014833700000000, 0.0036743000000000 ] - [ 0.0003330600000000, 0.0002869800000000, -0.0001948400000000 ] - [ -0.0011613100000000, -0.0002206600000000, -0.0020692400000000 ] - [ -0.0003776100000000, -0.0007536400000000, -0.0003700800000000 ] - [ -0.0002068100000000, -0.0007913800000000, -0.0000265100000000 ] - [ -0.0000347200000000, 0.0011237300000000, -0.0000910300000000 ] - [ 0.0007959500000000, -0.0007338700000000, 0.0000362400000000 ] - [ -0.0346614500000000, -0.0950272300000000, 0.0019172300000000 ] - [ -0.0013535500000000, 0.0020976400000000, 0.0001713500000000 ] - [ -0.0058463800000000, 0.0036087200000000, 0.0000600100000000 ] - [ 0.0127121200000000, 0.0018371500000000, 0.0046316800000000 ] - [ 0.0009040600000000, 0.0009100600000000, -0.0001606300000000 ] - [ -0.0000421500000000, 0.0034552100000000, -0.0011591800000000 ] - [ -0.0025514500000000, 0.0008946500000000, -0.0003793500000000 ] - [ -0.0035774300000000, -0.0062744600000000, -0.0008905400000000 ] - [ -0.0005228400000000, 0.0006692500000000, 0.0000298800000000 ] - [ -0.0007817100000000, -0.0001732900000000, 0.0005080100000000 ] - [ 0.0001048800000000, 0.0008572900000000, 0.0000138200000000 ] - [ 0.0019528900000000, -0.0005727900000000, -0.0052101900000000 ] - [ -0.0007761600000000, 0.0020416800000000, 0.0007285400000000 ] - [ -0.0001652900000000, 0.0038740500000000, -0.0003503900000000 ] - [ 0.0559550800000000, -0.0306973700000000, -0.0511699100000000 ] - [ -0.0013362500000000, 0.0017539000000000, -0.0010714100000000 ] - [ 0.0001547800000000, 0.0033250500000000, -0.0007245400000000 ] - [ 0.0556978100000000, -0.0308786300000000, 0.0479617200000000 ] - [ -0.0025870500000000, -0.0025658700000000, -0.0001730400000000 ] - [ -0.0011219800000000, 0.0028554800000000, -0.0005330000000000 ] - [ 0.0050390300000000, -0.0019907400000000, 0.0010042700000000 ] - [ -0.0009867900000000, -0.0002467200000000, 0.0011602300000000 ] - [ -0.0008119700000000, 0.0011360300000000, 0.0004433500000000 ] - [ 0.0019867500000000, 0.0002381900000000, 0.0036014800000000 ] - [ -0.0003422800000000, -0.0001542400000000, 0.0001261800000000 ] - [ -0.0011396300000000, -0.0004777500000000, 0.0002814700000000 ] - [ -0.0006245700000000, 0.0000651500000000, 0.0007921100000000 ] - [ -0.0010870600000000, 0.0008328300000000, -0.0007471800000000 ] - [ -0.0008490900000000, -0.0000110400000000, -0.0006819300000000 ] - [ 0.0019047200000000, 0.0001087500000000, -0.0022559200000000 ] - [ 0.0011945000000000, 0.0004176400000000, 0.0003729600000000 ] - [ 0.0027680300000000, 0.0015634800000000, 0.0017818200000000 ] - [ 0.1409258200000000, -0.1912772200000000, 0.0022978400000000 ] - [ -0.0022080600000000, 0.0085312400000000, 0.0033817400000000 ] - [ -0.0031370700000000, 0.0016221000000000, -0.0001518800000000 ] - [ 0.0008863700000000, 0.0028117000000000, -0.0002578900000000 ] - [ -0.0036951100000000, -0.0037526800000000, 0.0029088300000000 ] - [ -0.0008017700000000, -0.0003183500000000, -0.0002621900000000 ] - [ -0.0014953400000000, 0.0007897600000000, 0.0005310400000000 ] - [ -0.0008599000000000, -0.0018071800000000, 0.0010533100000000 ] - [ -0.0006482600000000, 0.0001348500000000, 0.0001018400000000 ] - [ -0.0006480900000000, 0.0003796500000000, -0.0000522000000000 ] - [ -0.0021213800000000, 0.0022935200000000, -0.0000536300000000 ] - [ 0.0024906000000000, 0.0006755400000000, -0.0007042800000000 ] - [ 0.0007494900000000, -0.0042740900000000, 0.0005531600000000 ] - [ -0.0040127100000000, 0.0034009500000000, -0.0012261200000000 ] - [ -0.0004120800000000, -0.0015241500000000, 0.0000125000000000 ] - [ -0.0007387600000000, -0.0005594100000000, -0.0005840900000000 ] - [ 0.0004749800000000, 0.0020430300000000, 0.0001021100000000 ] - [ 0.0039691900000000, -0.0016362900000000, -0.0013219200000000 ] - [ 0.0002781500000000, 0.0009272600000000, 0.0000671300000000 ] - [ -0.0008106000000000, -0.0016698800000000, -0.0004909500000000 ] - [ -0.0012764300000000, 0.0011115500000000, -0.0005988400000000 ] - [ -0.0011390500000000, -0.0005740400000000, 0.0003420400000000 ] - [ -0.0005692100000000, -0.0013237700000000, -0.0008313800000000 ] - [ -0.0005238800000000, 0.0012501100000000, 0.0001835600000000 ] - [ -0.0002506500000000, 0.0013292600000000, -0.0001460100000000 ] - [ 0.0002613300000000, 0.0015338600000000, 0.0004311600000000 ] - [ 0.0020694400000000, -0.0035643500000000, 0.0042838500000000 ] - [ -0.0008390900000000, 0.0001483600000000, -0.0002749800000000 ] - [ 0.0009242300000000, 0.0003688500000000, 0.0003001700000000 ] - [ -0.0001769000000000, 0.0014103400000000, -0.0020406800000000 ] - [ 0.0008029900000000, 0.0007582700000000, -0.0001045300000000 ] - [ 0.0008752400000000, 0.0003833000000000, -0.0003529000000000 ] - [ 0.0003457500000000, 0.0051348400000000, -0.0079049100000000 ] - [ 0.0005965000000000, 0.0007643300000000, 0.0001692500000000 ] - [ 0.0023185100000000, 0.0006742000000000, -0.0000417600000000 ] - [ -0.0001894600000000, -0.0023674900000000, 0.0001224500000000 ] - [ -0.0016882300000000, 0.0016905500000000, -0.0000778900000000 ] - [ 0.0003912300000000, 0.0008729700000000, 0.0000090100000000 ] - [ 0.0019076100000000, -0.0016385100000000, 0.0021504000000000 ] - [ -0.0001275000000000, 0.0028379000000000, 0.0014705100000000 ] - [ -0.0100794700000000, -0.0087715700000000, -0.0101046500000000 ] - [ 0.0014899700000000, -0.0034490000000000, -0.0007613300000000 ] - [ 0.0126010000000000, 0.0015231200000000, -0.0063227200000000 ] - [ 0.0008202300000000, -0.0001686100000000, -0.0002074900000000 ] - [ 0.0032227700000000, 0.0014625300000000, 0.0027055300000000 ] - [ 0.0014091100000000, -0.0000169700000000, 0.0004506200000000 ] - [ -0.0002059200000000, 0.0006202600000000, 0.0003860900000000 ] - [ 0.0003418200000000, 0.0033123100000000, 0.0004920100000000 ] - [ 0.0028325300000000, -0.0014877200000000, -0.0013364500000000 ] - [ -0.0065992400000000, -0.0362787900000000, -0.0001076700000000 ] - [ -0.0018534400000000, -0.0018984200000000, 0.0006354600000000 ] - [ -0.0000033800000000, -0.0022984600000000, -0.0000091400000000 ] - [ 0.0012139700000000, -0.0019396400000000, -0.0004705600000000 ] - [ -0.0023495000000000, 0.0013509500000000, 0.0002339800000000 ] - [ -0.0009176400000000, -0.0008879900000000, 0.0001850900000000 ] - [ 0.0003582500000000, -0.0020561600000000, 0.0009883000000000 ] - [ 0.0014372700000000, -0.0012067700000000, 0.0009643400000000 ] - [ -0.0085490400000000, 0.0066133000000000, 0.0062922600000000 ] - [ -0.2250899400000000, 0.3792963600000000, 0.0023676300000000 ] - [ 0.0003555900000000, -0.0066459500000000, 0.0008825200000000 ] - [ 0.0055743200000000, -0.0069800400000000, -0.0000188000000000 ] - [ 0.0023106800000000, 0.0009737900000000, 0.0001086800000000 ] - [ -0.0004672300000000, 0.0082807800000000, -0.0003721000000000 ] - [ 0.0041029200000000, -0.0042073700000000, 0.0028643000000000 ] - [ 0.0018607900000000, -0.0009301300000000, -0.0006113500000000 ] - [ 0.0015136400000000, 0.0003729100000000, 0.0000468500000000 ] - [ 0.0035962800000000, 0.0006044200000000, -0.0060837100000000 ] - [ 0.0030468600000000, -0.0084972900000000, 0.0006365800000000 ] - [ -0.0079065400000000, 0.0050710300000000, -0.0092669300000000 ] - [ -0.0019740900000000, -0.0016098100000000, 0.0000399400000000 ] - [ -0.0004345300000000, -0.0022528800000000, -0.0001179600000000 ] - [ -0.0064178600000000, -0.0004472500000000, 0.0095795300000000 ] - [ -0.0010892300000000, -0.0017058400000000, -0.0002395500000000 ] - [ -0.0034427400000000, -0.0025410200000000, -0.0004635100000000 ] - [ 0.0022207600000000, -0.0029887200000000, 0.0001803400000000 ] - [ 0.0030016400000000, 0.0027018600000000, -0.0008045100000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000490900000000, -0.0001329900000000, 0.0000686700000000 ] - [ 0.0000949000000000, 0.0002251100000000, 0.0001393000000000 ] - [ -0.0006603700000000, 0.0006360500000000, 0.0002756900000000 ] - [ 0.0020438500000000, 0.0001722900000000, 0.0178795700000000 ] - [ -0.0011129000000000, -0.0033759200000000, -0.0006439100000000 ] - [ -0.0000355100000000, 0.0000303700000000, 0.0000892800000000 ] - [ -0.0036618500000000, -0.0042817400000000, -0.0015028400000000 ] - [ -0.0004623000000000, 0.0000725700000000, -0.0003928000000000 ] - [ 0.0000485000000000, -0.0000200600000000, -0.0017051700000000 ] - [ 0.0000160500000000, -0.0002655900000000, -0.0001793600000000 ] - [ 0.0002223900000000, -0.0000856000000000, -0.0001305000000000 ] - [ 0.0122604300000000, -0.0015616600000000, -0.0004248500000000 ] - [ 0.0000179600000000, 0.0000719900000000, 0.0005612900000000 ] - [ -0.0003744600000000, 0.0025699500000000, 0.0009540600000000 ] - [ 0.0000835100000000, -0.0000298000000000, 0.0001897600000000 ] - [ 0.0000615200000000, -0.0000258600000000, -0.0000412000000000 ] - [ -0.0004317800000000, -0.0002383300000000, 0.0002743100000000 ] - [ 0.0000100200000000, 0.0003293300000000, 0.0005648200000000 ] - [ -0.0002372300000000, -0.0001189800000000, 0.0417792100000000 ] - [ -0.0004833800000000, 0.0000008900000000, 0.0005074700000000 ] - [ 0.0030486500000000, -0.0038602700000000, 0.0071225400000000 ] - [ 0.0000295100000000, -0.0016535100000000, 0.0043274300000000 ] - [ 0.0003057900000000, 0.0000610700000000, 0.0000586000000000 ] - [ -0.0002025600000000, -0.0001766700000000, 0.0001576200000000 ] - [ 0.0001336800000000, -0.0000468000000000, 0.0004693700000000 ] - [ -0.0018508800000000, -0.0006898400000000, 0.0003796500000000 ] - [ 0.0005414200000000, -0.0005047800000000, -0.0003040900000000 ] - [ 0.0015363600000000, -0.0004597300000000, 0.0002349000000000 ] - [ -0.0002333200000000, 0.0003018000000000, -0.0002537200000000 ] - [ -0.0030581000000000, 0.0051291300000000, -0.0038588400000000 ] - [ 0.0006642700000000, -0.0011665300000000, 0.0003602500000000 ] - [ -0.0009104700000000, 0.0006808200000000, 0.0008284200000000 ] - [ -0.0888217000000000, 0.0035853700000000, 0.1686567000000000 ] - [ -0.0008388000000000, -0.0010941100000000, 0.0015173900000000 ] - [ 0.0000209300000000, 0.0008653300000000, 0.0009781400000000 ] - [ 0.0976719100000000, -0.0047610200000000, 0.1799749300000000 ] - [ 0.0073317500000000, 0.0035457500000000, 0.0000028300000000 ] - [ 0.0000452400000000, -0.0001549100000000, -0.0000214800000000 ] - [ 0.0009533100000000, -0.0003947600000000, 0.0004252800000000 ] - [ 0.0022020300000000, 0.0001694000000000, -0.0080871800000000 ] - [ 0.0000428900000000, -0.0002489900000000, -0.0004403400000000 ] - [ -0.0029192700000000, -0.0031109300000000, -0.0060090300000000 ] - [ -0.0003293600000000, -0.0001485000000000, -0.0002341200000000 ] - [ 0.0006645500000000, 0.0001365400000000, -0.0001942400000000 ] - [ 0.0022417600000000, -0.0020949600000000, 0.0001742600000000 ] - [ -0.0004482100000000, 0.0000261100000000, -0.0006125700000000 ] - [ -0.0024633700000000, 0.0006385700000000, -0.0049421900000000 ] - [ 0.0044142800000000, 0.0053231300000000, -0.0080777600000000 ] - [ 0.0004532600000000, -0.0001455300000000, 0.0004249500000000 ] - [ -0.0006687800000000, -0.0012491100000000, 0.0010034600000000 ] - [ 0.0027952500000000, -0.0026872600000000, 0.0308294200000000 ] - [ 0.0001743700000000, 0.0000391300000000, 0.0012430500000000 ] - [ 0.0008989600000000, -0.0006735200000000, -0.0000487900000000 ] - [ -0.0000275700000000, 0.0003620100000000, 0.0001517900000000 ] - [ 0.0028006700000000, 0.0000850700000000, 0.0005824900000000 ] - [ -0.0004338000000000, 0.0002248500000000, 0.0001415300000000 ] - [ 0.0004297500000000, 0.0001573800000000, 0.0001055000000000 ] - [ 0.0014030600000000, 0.0004183200000000, -0.0028745200000000 ] - [ 0.0000648400000000, 0.0000495500000000, -0.0006570700000000 ] - [ 0.0002659800000000, 0.0000042500000000, -0.0005271200000000 ] - [ -0.0001970800000000, -0.0002880200000000, 0.0000035300000000 ] - [ 0.0004661600000000, 0.0003868300000000, 0.0002538300000000 ] - [ -0.0047898400000000, -0.0030138700000000, 0.0005928100000000 ] - [ 0.0000787600000000, -0.0001866500000000, 0.0005660300000000 ] - [ 0.0001692300000000, -0.0001261100000000, 0.0008175300000000 ] - [ 0.0010275600000000, 0.0006528700000000, 0.0021673200000000 ] - [ 0.0001286700000000, 0.0000726500000000, -0.0000264200000000 ] - [ 0.0001653500000000, 0.0026272000000000, -0.0024057300000000 ] - [ -0.0000060400000000, 0.0002866200000000, -0.0001504000000000 ] - [ 0.0001477200000000, -0.0005387500000000, -0.0004706100000000 ] - [ -0.0002909300000000, 0.0003928500000000, -0.0001534100000000 ] - [ 0.0013496000000000, 0.0011132500000000, -0.0012919400000000 ] - [ -0.0030615300000000, 0.0001397900000000, -0.0087829100000000 ] - [ -0.0002176800000000, -0.0000315400000000, -0.0002686500000000 ] - [ 0.0000551200000000, -0.0001268300000000, -0.0002067700000000 ] - [ -0.0000241200000000, 0.0009360400000000, -0.0018037500000000 ] - [ 0.0085815000000000, -0.0040756000000000, -0.0042010500000000 ] - [ 0.0000421100000000, 0.0003676100000000, -0.0000892100000000 ] - [ 0.0002543600000000, -0.0000730300000000, -0.0005345000000000 ] - [ -0.0008591600000000, 0.0013804300000000, -0.0019557700000000 ] - [ 0.0005215100000000, 0.0002713900000000, -0.0002923800000000 ] - [ 0.0000616900000000, 0.0005160900000000, 0.0001736200000000 ] - [ -0.0004736600000000, 0.0006225500000000, 0.0019876400000000 ] - [ 0.0004555900000000, -0.0000392800000000, 0.0000034800000000 ] - [ 0.0007183900000000, 0.0006382300000000, -0.0019791100000000 ] - [ -0.0005147400000000, 0.0002647700000000, -0.0020252700000000 ] - [ -0.0002474000000000, -0.0002214000000000, -0.0003408900000000 ] - [ 0.0001209000000000, 0.0000379800000000, 0.0000163900000000 ] - [ -0.0016347100000000, -0.0028410900000000, -0.0012785300000000 ] - [ -0.0000083000000000, -0.0000137000000000, -0.0001074200000000 ] - [ 0.0059239800000000, 0.0069156000000000, -0.0008558100000000 ] - [ 0.0003451900000000, 0.0006096900000000, -0.0000517400000000 ] - [ -0.0277704100000000, 0.0035668100000000, 0.0026734000000000 ] - [ -0.0007854300000000, 0.0003625300000000, 0.0007725200000000 ] - [ 0.0031596700000000, -0.0000252800000000, 0.0022813200000000 ] - [ -0.0002552000000000, -0.0006456200000000, 0.0003527400000000 ] - [ 0.0018966400000000, 0.0001640100000000, -0.0009745800000000 ] - [ -0.0012125900000000, -0.0013253800000000, -0.0005777400000000 ] - [ -0.0000940000000000, 0.0008680000000000, -0.0009993000000000 ] - [ -0.0009728100000000, 0.0001738000000000, -0.0031011100000000 ] - [ 0.0002355200000000, -0.0000576100000000, -0.0008113400000000 ] - [ -0.0003166400000000, 0.0004760700000000, -0.0002199200000000 ] - [ 0.0001464000000000, -0.0002346900000000, 0.0003125300000000 ] - [ -0.0001434000000000, -0.0002236900000000, 0.0035637000000000 ] - [ -0.0002674900000000, -0.0003308200000000, 0.0002472100000000 ] - [ -0.0000278000000000, -0.0007668100000000, 0.0001036900000000 ] - [ 0.0008405900000000, -0.0013054300000000, -0.0000187100000000 ] - [ -0.0061317800000000, -0.0003190100000000, 0.0377531300000000 ] - [ -0.0042390000000000, -0.0005502800000000, -0.4620735200000000 ] - [ 0.0004485800000000, -0.0000498100000000, -0.0013131100000000 ] - [ -0.0010910700000000, 0.0030499600000000, -0.0013150300000000 ] - [ -0.0056310100000000, -0.0008701600000000, -0.0006066000000000 ] - [ 0.0009495600000000, 0.0019338600000000, -0.0001935400000000 ] - [ -0.0000920400000000, 0.0004104800000000, -0.0006435000000000 ] - [ 0.0003007500000000, 0.0001152200000000, 0.0002115800000000 ] - [ -0.0006102500000000, 0.0002580300000000, 0.0003405900000000 ] - [ -0.0098045000000000, -0.0000500400000000, 0.0019213500000000 ] - [ -0.0000357000000000, 0.0007056100000000, 0.0000923300000000 ] - [ 0.0041270500000000, 0.0085053900000000, -0.0026614100000000 ] - [ -0.0006072200000000, -0.0000072000000000, 0.0000172300000000 ] - [ -0.0004345800000000, 0.0002317200000000, 0.0002449900000000 ] - [ 0.0012650700000000, -0.0074813000000000, 0.0019807500000000 ] - [ -0.0002423500000000, -0.0008038800000000, 0.0003717900000000 ] - [ -0.0008067900000000, -0.0013306800000000, 0.0112267600000000 ] - [ 0.0004755800000000, 0.0000325100000000, 0.0010659900000000 ] - [ 0.0040617800000000, -0.0015867400000000, 0.0113956200000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000831900000000, 0.0001884700000000, 0.0002266200000000 ] - [ -0.0003607000000000, -0.0000555400000000, -0.0003575600000000 ] - [ 0.0005625700000000, -0.0009666200000000, -0.0005004000000000 ] - [ -0.0017132400000000, -0.0001158700000000, -0.0183081400000000 ] - [ 0.0011587800000000, 0.0033660500000000, 0.0009452400000000 ] - [ 0.0001050000000000, 0.0000598500000000, 0.0002128100000000 ] - [ 0.0036332300000000, 0.0043699200000000, 0.0014846500000000 ] - [ 0.0002464300000000, 0.0000784200000000, 0.0004328100000000 ] - [ -0.0001247800000000, -0.0002757400000000, 0.0017401600000000 ] - [ 0.0002225100000000, 0.0002821600000000, 0.0002128400000000 ] - [ -0.0002569700000000, 0.0000665800000000, 0.0001259100000000 ] - [ -0.0121210500000000, 0.0015910300000000, 0.0004443800000000 ] - [ -0.0000392800000000, 0.0000600600000000, -0.0006118800000000 ] - [ 0.0001464000000000, -0.0023793500000000, -0.0011409300000000 ] - [ -0.0001922700000000, -0.0002751700000000, -0.0003707500000000 ] - [ 0.0002091100000000, 0.0000570500000000, -0.0001392700000000 ] - [ 0.0003912200000000, 0.0001962300000000, -0.0003303800000000 ] - [ 0.0001161900000000, -0.0002854100000000, -0.0006073300000000 ] - [ 0.0010135600000000, 0.0009750000000000, -0.0416711800000000 ] - [ 0.0004391100000000, 0.0000482400000000, -0.0004320900000000 ] - [ -0.0030781400000000, 0.0038055100000000, -0.0070417500000000 ] - [ -0.0001192100000000, 0.0012313900000000, -0.0046644300000000 ] - [ 0.0001397000000000, 0.0000627700000000, -0.0004054000000000 ] - [ -0.0001313100000000, 0.0004920600000000, -0.0005053500000000 ] - [ -0.0000647600000000, -0.0002493700000000, 0.0000879000000000 ] - [ 0.0015640800000000, 0.0007912000000000, 0.0001676300000000 ] - [ -0.0002956500000000, 0.0001352000000000, 0.0000737200000000 ] - [ -0.0013013300000000, 0.0006465000000000, 0.0003213500000000 ] - [ -0.0001621500000000, -0.0002773000000000, 0.0000251300000000 ] - [ 0.0032690700000000, -0.0048193300000000, 0.0036602500000000 ] - [ -0.0003040900000000, 0.0007196500000000, -0.0004346900000000 ] - [ 0.0003409500000000, -0.0007674500000000, -0.0009149600000000 ] - [ 0.0956646200000000, -0.0033235300000000, -0.1762743700000000 ] - [ 0.0006711600000000, 0.0006857400000000, -0.0015291900000000 ] - [ -0.0002669300000000, -0.0005758100000000, -0.0009888800000000 ] - [ -0.0907070400000000, 0.0045358200000000, -0.1719237700000000 ] - [ -0.0074461100000000, -0.0033159500000000, -0.0002689500000000 ] - [ 0.0002160600000000, 0.0001397700000000, -0.0002476600000000 ] - [ -0.0010831000000000, 0.0001030300000000, -0.0007039100000000 ] - [ -0.0022805800000000, -0.0000605500000000, 0.0081261200000000 ] - [ 0.0001142300000000, 0.0002698500000000, 0.0005159600000000 ] - [ 0.0029192000000000, 0.0030496200000000, 0.0061183100000000 ] - [ 0.0003815700000000, 0.0001661000000000, 0.0003022400000000 ] - [ -0.0006873300000000, -0.0001060600000000, 0.0002510800000000 ] - [ -0.0022350600000000, 0.0020363100000000, -0.0001085200000000 ] - [ 0.0003512000000000, -0.0004738800000000, 0.0002787800000000 ] - [ 0.0029014400000000, -0.0005016900000000, 0.0046065300000000 ] - [ -0.0047304500000000, -0.0049812900000000, 0.0076939400000000 ] - [ -0.0003878400000000, -0.0001407300000000, 0.0001596200000000 ] - [ 0.0003964800000000, 0.0013440200000000, -0.0004047700000000 ] - [ -0.0018691900000000, 0.0015126200000000, -0.0310353000000000 ] - [ 0.0000433100000000, 0.0001601100000000, -0.0006470400000000 ] - [ -0.0012740400000000, 0.0006819100000000, -0.0002063400000000 ] - [ 0.0002090600000000, 0.0000312000000000, -0.0004081500000000 ] - [ -0.0024569200000000, -0.0005428200000000, -0.0006103800000000 ] - [ -0.0001434100000000, -0.0002614500000000, -0.0002020300000000 ] - [ -0.0001869800000000, 0.0003604600000000, -0.0001540200000000 ] - [ -0.0015544100000000, -0.0008192900000000, 0.0029315500000000 ] - [ -0.0003116400000000, 0.0002523000000000, 0.0007112200000000 ] - [ 0.0001051100000000, 0.0000596900000000, 0.0005703600000000 ] - [ 0.0000780900000000, 0.0005189900000000, -0.0002306300000000 ] - [ -0.0001998800000000, -0.0004090200000000, -0.0004759200000000 ] - [ 0.0046621500000000, 0.0027233700000000, -0.0008186700000000 ] - [ -0.0001965700000000, 0.0002972100000000, -0.0004980100000000 ] - [ -0.0000148500000000, 0.0001697200000000, -0.0007483400000000 ] - [ -0.0010294100000000, -0.0007602100000000, -0.0020815200000000 ] - [ -0.0000805000000000, -0.0000634500000000, 0.0001606200000000 ] - [ -0.0002158500000000, -0.0026092400000000, 0.0025346600000000 ] - [ -0.0000051600000000, -0.0003272500000000, 0.0002768800000000 ] - [ -0.0002373800000000, 0.0000975000000000, 0.0001169000000000 ] - [ 0.0007319600000000, -0.0002638600000000, -0.0002085400000000 ] - [ -0.0016818100000000, -0.0008124400000000, 0.0009299500000000 ] - [ 0.0030665000000000, -0.0004205400000000, 0.0093328100000000 ] - [ -0.0000550800000000, 0.0001255500000000, 0.0008152900000000 ] - [ 0.0001921600000000, -0.0002227100000000, 0.0000047200000000 ] - [ 0.0002481800000000, -0.0007387900000000, 0.0023436700000000 ] - [ -0.0088960800000000, 0.0040609700000000, 0.0039760200000000 ] - [ 0.0001405000000000, 0.0000268900000000, -0.0001133900000000 ] - [ 0.0000842900000000, -0.0003785700000000, 0.0005287900000000 ] - [ 0.0002852800000000, -0.0014581000000000, 0.0019491800000000 ] - [ -0.0002955100000000, 0.0002473700000000, 0.0002909600000000 ] - [ -0.0002276200000000, -0.0008997600000000, -0.0001587100000000 ] - [ 0.0002356900000000, -0.0003370600000000, -0.0020082600000000 ] - [ -0.0001043400000000, 0.0000977400000000, 0.0000032800000000 ] - [ -0.0008243100000000, -0.0003920500000000, 0.0017153600000000 ] - [ 0.0007785600000000, -0.0002780800000000, 0.0017569100000000 ] - [ 0.0001150200000000, -0.0000794700000000, 0.0000731300000000 ] - [ -0.0002253100000000, 0.0000751000000000, 0.0001083400000000 ] - [ 0.0017757700000000, 0.0028773800000000, 0.0014128800000000 ] - [ -0.0000097500000000, -0.0000975900000000, 0.0002415300000000 ] - [ -0.0062759300000000, -0.0067326000000000, 0.0010060800000000 ] - [ -0.0004006200000000, -0.0010021600000000, 0.0001407500000000 ] - [ 0.0281476800000000, -0.0034081500000000, -0.0026244800000000 ] - [ 0.0006024500000000, -0.0002045700000000, -0.0007125700000000 ] - [ -0.0032412000000000, -0.0002043400000000, -0.0022082600000000 ] - [ 0.0004850400000000, 0.0007288500000000, -0.0002994200000000 ] - [ -0.0022180700000000, 0.0000148100000000, 0.0010324100000000 ] - [ 0.0011878600000000, 0.0009492100000000, 0.0006334300000000 ] - [ 0.0004059700000000, -0.0006916600000000, 0.0010503300000000 ] - [ 0.0007140600000000, -0.0000853800000000, 0.0031788100000000 ] - [ -0.0002456900000000, -0.0002538300000000, 0.0008834500000000 ] - [ 0.0005976400000000, -0.0003163600000000, 0.0002858100000000 ] - [ -0.0004812400000000, 0.0004256600000000, -0.0001960800000000 ] - [ 0.0001383700000000, -0.0001610800000000, -0.0034549100000000 ] - [ 0.0005845900000000, 0.0005017000000000, -0.0001290400000000 ] - [ -0.0002057500000000, 0.0009169200000000, -0.0001028200000000 ] - [ -0.0008578100000000, 0.0010284300000000, 0.0000281700000000 ] - [ 0.0064445600000000, 0.0004441700000000, -0.0374004000000000 ] - [ -0.0102040300000000, 0.0012679100000000, 0.4611278400000000 ] - [ -0.0006583700000000, 0.0003701700000000, 0.0010876200000000 ] - [ 0.0009026600000000, -0.0033864200000000, 0.0010852100000000 ] - [ 0.0052177400000000, 0.0005879300000000, 0.0008055500000000 ] - [ -0.0005186600000000, -0.0021245500000000, 0.0004052100000000 ] - [ 0.0000379700000000, 0.0000908200000000, 0.0008637500000000 ] - [ 0.0000859500000000, -0.0000930100000000, -0.0004352600000000 ] - [ 0.0003838400000000, 0.0000414500000000, -0.0005647700000000 ] - [ 0.0095292900000000, -0.0002968000000000, -0.0021778700000000 ] - [ -0.0003628800000000, -0.0009547700000000, 0.0001552800000000 ] - [ -0.0037446900000000, -0.0087274200000000, 0.0028821400000000 ] - [ 0.0005895800000000, 0.0004810500000000, 0.0002350400000000 ] - [ 0.0008253400000000, -0.0001953500000000, -0.0004016200000000 ] - [ -0.0014518700000000, 0.0078891000000000, -0.0021191400000000 ] - [ 0.0000706700000000, 0.0004471400000000, -0.0005336900000000 ] - [ 0.0003748100000000, 0.0010259500000000, -0.0110136300000000 ] - [ -0.0000779900000000, -0.0002255300000000, -0.0008487300000000 ] - [ -0.0040381900000000, 0.0020414300000000, -0.0111714300000000 ]- atom: 112 displacement: [ 0.0100000000000000, -0.0000000000071070, 0.0000000000000000 ] forces: - [ 0.0007196400000000, -0.0003972600000000, 0.0002551000000000 ] - [ -0.0000850700000000, 0.0006868400000000, -0.0001760700000000 ] - [ -0.0019937700000000, 0.0011894900000000, -0.0002410600000000 ] - [ 0.0020643900000000, 0.0004646900000000, 0.0007375800000000 ] - [ 0.0118188500000000, -0.0101913300000000, 0.0003113900000000 ] - [ 0.0002172100000000, -0.0007806200000000, 0.0000749400000000 ] - [ 0.0005313400000000, 0.0006362200000000, -0.0002651900000000 ] - [ 0.0003882900000000, -0.0060658600000000, 0.0040789400000000 ] - [ 0.0018240700000000, -0.0003137800000000, 0.0003706200000000 ] - [ 0.0019745500000000, 0.0050818700000000, 0.0031779800000000 ] - [ 0.0004223200000000, 0.0006564600000000, 0.0000390100000000 ] - [ 0.0001236500000000, 0.0008866600000000, -0.0018617600000000 ] - [ -0.0053257400000000, -0.0020513300000000, -0.0026098400000000 ] - [ 0.0007756500000000, 0.0000170400000000, -0.0000178600000000 ] - [ -0.0010867800000000, -0.0005310500000000, -0.0002054800000000 ] - [ 0.0001368500000000, -0.0005186300000000, -0.0002471800000000 ] - [ 0.0009946300000000, -0.0003946300000000, -0.0005514400000000 ] - [ 0.0010249700000000, 0.0004156400000000, -0.0004857400000000 ] - [ -0.0027453100000000, -0.0022015700000000, 0.0006779300000000 ] - [ -0.0001665800000000, -0.0008611600000000, -0.0000966100000000 ] - [ 0.0041775300000000, -0.0096624100000000, 0.0032498600000000 ] - [ -0.0031033200000000, 0.0020660600000000, 0.0038001500000000 ] - [ 0.0001287900000000, 0.0011599800000000, 0.0003225100000000 ] - [ -0.0003294000000000, 0.0005924900000000, -0.0003065900000000 ] - [ -0.0058228800000000, -0.0033576100000000, 0.0002980700000000 ] - [ -0.0024519900000000, -0.0000170300000000, 0.0003026000000000 ] - [ 0.0001348900000000, 0.0037558900000000, 0.0005315000000000 ] - [ 0.0634580800000000, -0.0711959200000000, 0.0018205400000000 ] - [ 0.0045117700000000, -0.0029147000000000, -0.0003763000000000 ] - [ -0.0027975700000000, -0.0003142000000000, -0.0003219600000000 ] - [ 0.0008079000000000, -0.0024533900000000, -0.0007839100000000 ] - [ -0.0003177200000000, -0.0010269800000000, 0.0002683400000000 ] - [ -0.0078803900000000, -0.0016903200000000, 0.0029147300000000 ] - [ 0.0008451500000000, -0.0024892300000000, 0.0011086600000000 ] - [ -0.0001501200000000, -0.0007277800000000, -0.0001489400000000 ] - [ -0.0014154100000000, -0.0003104800000000, 0.0015279800000000 ] - [ 0.2386489200000000, 0.0119400900000000, -0.0014548000000000 ] - [ -0.0020981100000000, -0.0019639300000000, -0.0001261500000000 ] - [ -0.0022581400000000, 0.0012960300000000, -0.0002525200000000 ] - [ 0.0006574100000000, -0.0060732100000000, -0.0078059800000000 ] - [ -0.0003214400000000, -0.0008716300000000, 0.0003644000000000 ] - [ -0.0011726600000000, -0.0008768700000000, -0.0001438900000000 ] - [ 0.0006757000000000, -0.0008656500000000, -0.0008482900000000 ] - [ -0.0009898400000000, 0.0008811800000000, 0.0001860900000000 ] - [ -0.0012501100000000, 0.0003739400000000, -0.0001013500000000 ] - [ -0.0005286600000000, -0.0008688300000000, -0.0001970100000000 ] - [ 0.0015768200000000, -0.0018271200000000, -0.0027226800000000 ] - [ -0.0012707800000000, -0.0007445900000000, 0.0002429500000000 ] - [ -0.0002068800000000, 0.0004055400000000, 0.0003419200000000 ] - [ 0.0028975400000000, 0.0019542200000000, 0.0006813100000000 ] - [ -0.0025525000000000, 0.0006354500000000, 0.0005289600000000 ] - [ -0.0012909400000000, 0.0013708100000000, 0.0007125300000000 ] - [ 0.0033535000000000, 0.0013248700000000, -0.0011119600000000 ] - [ 0.0011274500000000, -0.0016940600000000, -0.0001359600000000 ] - [ -0.0012551900000000, -0.0005377900000000, -0.0005101400000000 ] - [ 0.0005976100000000, 0.0022565500000000, -0.0022103700000000 ] - [ -0.0006366900000000, -0.0006418100000000, -0.0005836000000000 ] - [ -0.0013971800000000, -0.0003719000000000, 0.0004855000000000 ] - [ 0.0008078300000000, 0.0021394200000000, 0.0035655000000000 ] - [ -0.0001500100000000, -0.0009752000000000, 0.0010100500000000 ] - [ -0.0012716100000000, -0.0004249600000000, -0.0003124400000000 ] - [ -0.0004574700000000, 0.0009285100000000, -0.0002087700000000 ] - [ 0.0048796400000000, 0.0020411900000000, 0.0039860600000000 ] - [ -0.0022839700000000, -0.0000459900000000, -0.0008933200000000 ] - [ -0.0023367500000000, 0.0018360500000000, -0.0005744800000000 ] - [ 0.0556792000000000, 0.0350188100000000, 0.0480049500000000 ] - [ 0.0002903400000000, 0.0015415500000000, 0.0001591300000000 ] - [ -0.0052017600000000, 0.0018139700000000, -0.0018434900000000 ] - [ 0.0004773200000000, 0.0019032800000000, -0.0011371300000000 ] - [ -0.0028887600000000, 0.0017351400000000, -0.0005176500000000 ] - [ -0.0022816500000000, 0.0003593300000000, 0.0006122300000000 ] - [ 0.0554262200000000, 0.0335068800000000, -0.0550939900000000 ] - [ -0.0019271300000000, -0.0004197000000000, -0.0012238100000000 ] - [ -0.0002898900000000, -0.0014171900000000, 0.0003218200000000 ] - [ 0.0011715500000000, -0.0018674900000000, -0.0000227500000000 ] - [ 0.0000878300000000, -0.0006909000000000, 0.0001790900000000 ] - [ -0.0027283400000000, 0.0000630000000000, -0.0000227400000000 ] - [ 0.0016877300000000, 0.0026428000000000, 0.0000402200000000 ] - [ 0.0028551600000000, 0.0012272100000000, -0.0004069000000000 ] - [ -0.0021905600000000, 0.0012936400000000, -0.0010332600000000 ] - [ -0.0006095800000000, 0.0010090100000000, 0.0003117500000000 ] - [ 0.0030158600000000, 0.0076152300000000, -0.0022833700000000 ] - [ -0.0019956600000000, 0.0009946400000000, 0.0002707700000000 ] - [ -0.0000201800000000, 0.0008583200000000, -0.0003749400000000 ] - [ -0.0011606000000000, 0.0002741800000000, -0.0000203100000000 ] - [ 0.0012277400000000, -0.0000838900000000, -0.0054527600000000 ] - [ -0.0006371900000000, -0.0008270800000000, 0.0000585600000000 ] - [ -0.0000824500000000, 0.0005348000000000, -0.0000047400000000 ] - [ -0.0002920400000000, 0.0008116300000000, 0.0005040300000000 ] - [ -0.0001689100000000, 0.0004189700000000, 0.0001143800000000 ] - [ 0.0018765400000000, 0.0013489500000000, 0.0006346300000000 ] - [ 0.0004924600000000, 0.0021474300000000, 0.0001203000000000 ] - [ 0.0176913500000000, 0.0325362200000000, 0.0001197100000000 ] - [ 0.0033205200000000, -0.0121662400000000, -0.0092408100000000 ] - [ 0.0032555300000000, -0.0002704900000000, -0.0006977800000000 ] - [ 0.0049439300000000, 0.0123929300000000, -0.0066215400000000 ] - [ -0.0110513100000000, -0.0042997300000000, 0.0066082400000000 ] - [ 0.0018352100000000, -0.0008718700000000, 0.0009550700000000 ] - [ 0.0019619900000000, 0.0009099900000000, 0.0009960700000000 ] - [ 0.0029766200000000, -0.0011001700000000, -0.0002315500000000 ] - [ -0.0032644700000000, -0.0018345600000000, -0.0018703300000000 ] - [ -0.0002435500000000, -0.0006276000000000, 0.0003567300000000 ] - [ 0.0005139800000000, -0.0009891200000000, -0.0002594700000000 ] - [ 0.0001141500000000, -0.0037381700000000, 0.0031180300000000 ] - [ 0.0008321500000000, -0.0005742300000000, 0.0003276500000000 ] - [ 0.0000704200000000, 0.0013018000000000, 0.0001416900000000 ] - [ -0.0025404800000000, 0.0011876400000000, -0.0003616600000000 ] - [ 0.0027237800000000, 0.0002660100000000, -0.0000105600000000 ] - [ 0.0069636500000000, 0.0010110300000000, -0.0055413700000000 ] - [ 0.0000303600000000, 0.0021370600000000, -0.0002170100000000 ] - [ -0.0076853200000000, 0.0057720900000000, 0.0012731600000000 ] - [ -0.4394121100000000, -0.0196433700000000, 0.0120971800000000 ] - [ 0.0058110000000000, -0.0030164400000000, 0.0010125100000000 ] - [ 0.0084234000000000, 0.0015297600000000, 0.0000107400000000 ] - [ -0.0001259100000000, 0.0035724300000000, -0.0007013300000000 ] - [ 0.0001819200000000, -0.0042214700000000, -0.0005667600000000 ] - [ 0.0034305600000000, 0.0000328800000000, -0.0001426900000000 ] - [ 0.0013350700000000, -0.0012188100000000, 0.0003508200000000 ] - [ -0.0012273800000000, -0.0047652400000000, -0.0066663600000000 ] - [ 0.0003342500000000, -0.0011679000000000, -0.0001501400000000 ] - [ 0.0013495200000000, -0.0030600400000000, 0.0000817500000000 ] - [ 0.0063471500000000, -0.0005857900000000, 0.0004296000000000 ] - [ -0.0086163600000000, -0.0036680800000000, 0.0053952800000000 ] - [ 0.0013351100000000, 0.0011334800000000, -0.0001375400000000 ] - [ 0.0013292700000000, 0.0017596500000000, -0.0001506300000000 ] - [ 0.0023407800000000, 0.0027214700000000, 0.0093152300000000 ]- atom: 112 displacement: [ -0.0100000000000000, 0.0000000000071070, 0.0000000000000000 ] forces: - [ -0.0007485600000000, 0.0004523700000000, 0.0000385600000000 ] - [ -0.0001854600000000, -0.0005149100000000, -0.0000473800000000 ] - [ 0.0019054200000000, -0.0015224100000000, 0.0000180000000000 ] - [ -0.0017716500000000, -0.0004059900000000, -0.0009644900000000 ] - [ -0.0119124200000000, 0.0102233500000000, -0.0000198000000000 ] - [ -0.0001494500000000, 0.0008696700000000, 0.0002258500000000 ] - [ -0.0005350900000000, -0.0005128200000000, 0.0002659400000000 ] - [ -0.0006326100000000, 0.0061963300000000, -0.0040238300000000 ] - [ -0.0019212900000000, 0.0000408000000000, -0.0003312400000000 ] - [ -0.0017605000000000, -0.0050272800000000, -0.0031183200000000 ] - [ -0.0004581900000000, -0.0006765700000000, -0.0000408400000000 ] - [ -0.0000077000000000, -0.0008618800000000, 0.0018643600000000 ] - [ 0.0053101700000000, 0.0021779900000000, 0.0025797800000000 ] - [ -0.0010128400000000, 0.0001560600000000, -0.0001610100000000 ] - [ 0.0009811400000000, 0.0002261500000000, 0.0000280700000000 ] - [ 0.0001338300000000, 0.0005504400000000, 0.0000686200000000 ] - [ -0.0010291900000000, 0.0003523100000000, 0.0004912200000000 ] - [ -0.0008986100000000, -0.0003730900000000, 0.0004368200000000 ] - [ 0.0028105800000000, 0.0022100000000000, -0.0005889300000000 ] - [ 0.0001276400000000, 0.0009105100000000, 0.0001699000000000 ] - [ -0.0042230800000000, 0.0096293800000000, -0.0031759500000000 ] - [ 0.0029995900000000, -0.0025138400000000, -0.0041602700000000 ] - [ 0.0003176600000000, -0.0010372600000000, -0.0006735300000000 ] - [ -0.0000069700000000, -0.0002810700000000, -0.0000407400000000 ] - [ 0.0058627400000000, 0.0030255200000000, 0.0002741000000000 ] - [ 0.0021591300000000, 0.0001177900000000, 0.0002690800000000 ] - [ 0.0001159200000000, -0.0041519200000000, -0.0007695100000000 ] - [ -0.0634639000000000, 0.0699809700000000, -0.0012594300000000 ] - [ -0.0049204700000000, 0.0029646700000000, 0.0001524100000000 ] - [ 0.0029873900000000, 0.0007114400000000, 0.0000935200000000 ] - [ -0.0004525800000000, 0.0020092700000000, 0.0007084400000000 ] - [ -0.0002522500000000, 0.0009552200000000, -0.0003447500000000 ] - [ 0.0080579900000000, 0.0022112600000000, -0.0029790100000000 ] - [ -0.0010169300000000, 0.0020828400000000, -0.0011231000000000 ] - [ -0.0000952900000000, 0.0010246300000000, 0.0001256400000000 ] - [ 0.0017782000000000, 0.0003759000000000, -0.0015535600000000 ] - [ -0.2542778300000000, -0.0132535200000000, 0.0013427400000000 ] - [ 0.0023474700000000, 0.0019383400000000, -0.0001404600000000 ] - [ 0.0021295100000000, -0.0015776400000000, -0.0000135500000000 ] - [ -0.0007530700000000, 0.0061997600000000, 0.0078946700000000 ] - [ 0.0004800700000000, 0.0008893000000000, -0.0002834300000000 ] - [ 0.0011380700000000, 0.0007716500000000, 0.0002331200000000 ] - [ -0.0006157700000000, 0.0008938200000000, 0.0009307300000000 ] - [ 0.0009696600000000, -0.0008553600000000, -0.0001287800000000 ] - [ 0.0012421900000000, -0.0004222000000000, 0.0001595500000000 ] - [ 0.0004361800000000, 0.0004198000000000, -0.0001374200000000 ] - [ -0.0011399100000000, 0.0019710500000000, 0.0023817200000000 ] - [ 0.0009253200000000, 0.0010484200000000, -0.0005829300000000 ] - [ 0.0002746700000000, -0.0006914600000000, 0.0002407800000000 ] - [ -0.0031894900000000, -0.0018685300000000, -0.0000858100000000 ] - [ 0.0027992200000000, -0.0009899800000000, -0.0007839200000000 ] - [ 0.0015117800000000, -0.0011868700000000, -0.0001334600000000 ] - [ -0.0037422000000000, -0.0013250500000000, 0.0008634900000000 ] - [ -0.0009405700000000, 0.0020987400000000, -0.0001215600000000 ] - [ 0.0015878600000000, 0.0000752100000000, 0.0004502400000000 ] - [ -0.0011711000000000, -0.0023052100000000, 0.0021533900000000 ] - [ 0.0008913500000000, 0.0011624700000000, 0.0005248900000000 ] - [ 0.0012248400000000, -0.0000328000000000, -0.0004261000000000 ] - [ -0.0010518600000000, -0.0018442800000000, -0.0035221300000000 ] - [ 0.0005376200000000, 0.0010447300000000, -0.0009644100000000 ] - [ 0.0011564900000000, 0.0006545200000000, 0.0000824800000000 ] - [ 0.0007266200000000, -0.0009542600000000, -0.0000229500000000 ] - [ -0.0050340000000000, -0.0023414800000000, -0.0042404900000000 ] - [ 0.0021662800000000, 0.0001457300000000, 0.0009563300000000 ] - [ 0.0024791200000000, -0.0017776100000000, 0.0006343200000000 ] - [ -0.0561291500000000, -0.0347883600000000, -0.0472831400000000 ] - [ -0.0002439100000000, -0.0015371300000000, -0.0000216400000000 ] - [ 0.0051799100000000, -0.0017852600000000, 0.0019786500000000 ] - [ -0.0004914800000000, -0.0019539600000000, 0.0012738900000000 ] - [ 0.0028062600000000, -0.0021649200000000, 0.0001706800000000 ] - [ 0.0027030700000000, -0.0002206400000000, -0.0009608900000000 ] - [ -0.0562158600000000, -0.0328345100000000, 0.0539947600000000 ] - [ 0.0019790700000000, 0.0001373700000000, 0.0017626200000000 ] - [ 0.0000163800000000, 0.0015128200000000, 0.0002267600000000 ] - [ -0.0009203300000000, 0.0015201400000000, -0.0001812200000000 ] - [ 0.0001375100000000, 0.0008688800000000, 0.0003580300000000 ] - [ 0.0023323900000000, -0.0000535700000000, -0.0001772400000000 ] - [ -0.0015101700000000, -0.0022553600000000, -0.0002429900000000 ] - [ -0.0025253000000000, -0.0016773200000000, 0.0004016000000000 ] - [ 0.0016175600000000, -0.0013490400000000, 0.0010245200000000 ] - [ 0.0008362300000000, -0.0004918200000000, -0.0003129400000000 ] - [ -0.0032147000000000, -0.0080664100000000, 0.0023224300000000 ] - [ 0.0017571400000000, -0.0007099600000000, -0.0002534700000000 ] - [ 0.0003754500000000, -0.0007995900000000, 0.0003866400000000 ] - [ 0.0010401200000000, -0.0000373100000000, -0.0002438900000000 ] - [ -0.0009535500000000, 0.0000742100000000, 0.0052124900000000 ] - [ 0.0005014900000000, 0.0005292700000000, -0.0003245300000000 ] - [ -0.0000231100000000, -0.0004223800000000, 0.0001206000000000 ] - [ 0.0004448400000000, -0.0007784300000000, -0.0003866600000000 ] - [ 0.0001486800000000, -0.0005344300000000, 0.0000112500000000 ] - [ -0.0021961300000000, -0.0011279500000000, -0.0005460600000000 ] - [ -0.0005495700000000, -0.0025348300000000, -0.0000339000000000 ] - [ -0.0175168900000000, -0.0325445700000000, -0.0000250900000000 ] - [ -0.0035669600000000, 0.0122996100000000, 0.0092957100000000 ] - [ -0.0032907700000000, 0.0000376200000000, 0.0007495900000000 ] - [ -0.0047782400000000, -0.0122606000000000, 0.0066204000000000 ] - [ 0.0107603000000000, 0.0044868900000000, -0.0066142600000000 ] - [ -0.0018609300000000, 0.0004991700000000, -0.0008813400000000 ] - [ -0.0016536300000000, -0.0007343900000000, -0.0009238900000000 ] - [ -0.0032458000000000, 0.0012653100000000, 0.0003036600000000 ] - [ 0.0032740600000000, 0.0015161100000000, 0.0019483000000000 ] - [ 0.0005243200000000, 0.0007889500000000, -0.0002924900000000 ] - [ -0.0008447200000000, 0.0011742000000000, 0.0003782200000000 ] - [ -0.0001282000000000, 0.0033645000000000, -0.0030073100000000 ] - [ -0.0005117800000000, 0.0007533500000000, -0.0002108800000000 ] - [ -0.0003103000000000, -0.0011475200000000, -0.0001285400000000 ] - [ 0.0025313500000000, -0.0014684800000000, 0.0003737100000000 ] - [ -0.0024591400000000, -0.0001300400000000, 0.0000183600000000 ] - [ -0.0065804800000000, -0.0009885600000000, 0.0053087700000000 ] - [ -0.0002534000000000, -0.0018360600000000, -0.0000042200000000 ] - [ 0.0075352800000000, -0.0061214000000000, -0.0015072800000000 ] - [ 0.4561382900000000, 0.0217907500000000, -0.0119147400000000 ] - [ -0.0053692200000000, 0.0028027900000000, -0.0008125900000000 ] - [ -0.0084202600000000, -0.0010187600000000, 0.0001955600000000 ] - [ 0.0004846300000000, -0.0035719600000000, 0.0004809800000000 ] - [ -0.0004079800000000, 0.0045317500000000, 0.0003425700000000 ] - [ -0.0035889500000000, -0.0003760900000000, -0.0000884700000000 ] - [ -0.0017345900000000, 0.0009788000000000, -0.0000993900000000 ] - [ 0.0016223700000000, 0.0045872200000000, 0.0069464300000000 ] - [ -0.0003537600000000, 0.0016384400000000, 0.0004113700000000 ] - [ -0.0009705100000000, 0.0031031300000000, -0.0002446200000000 ] - [ -0.0065745000000000, 0.0008959900000000, -0.0005908900000000 ] - [ 0.0084914200000000, 0.0033062800000000, -0.0055929800000000 ] - [ -0.0017340100000000, -0.0013894400000000, 0.0003437500000000 ] - [ -0.0009337600000000, -0.0019558100000000, 0.0003627300000000 ] - [ -0.0023769500000000, -0.0022598400000000, -0.0091131700000000 ]- atom: 112 displacement: [ -0.0049999999943570, 0.0086602540411024, 0.0000000000000000 ] forces: - [ 0.0001542200000000, 0.0009608600000000, -0.0001022700000000 ] - [ 0.0005220000000000, 0.0012435100000000, -0.0002209100000000 ] - [ 0.0021979400000000, 0.0008117000000000, 0.0007776900000000 ] - [ -0.0004087900000000, -0.0003815100000000, -0.0005226600000000 ] - [ -0.0093210300000000, 0.0020348000000000, 0.0000649400000000 ] - [ -0.0009796200000000, 0.0020724000000000, 0.0004702600000000 ] - [ -0.0005621000000000, 0.0002798700000000, 0.0000663800000000 ] - [ -0.0047117000000000, 0.0098680600000000, -0.0114343200000000 ] - [ -0.0010657900000000, -0.0010540000000000, -0.0004764800000000 ] - [ 0.0028839800000000, 0.0025204500000000, 0.0019551000000000 ] - [ 0.0006021600000000, 0.0005527300000000, 0.0000426300000000 ] - [ 0.0006905600000000, -0.0019856100000000, -0.0000650700000000 ] - [ 0.0008447400000000, -0.0051729900000000, -0.0010801500000000 ] - [ -0.0009502700000000, 0.0000397800000000, -0.0001003500000000 ] - [ 0.0000251700000000, 0.0009784100000000, -0.0003305500000000 ] - [ -0.0000734700000000, 0.0009289700000000, 0.0002216800000000 ] - [ -0.0017281400000000, 0.0000961000000000, 0.0013296400000000 ] - [ 0.0007746100000000, -0.0001389900000000, -0.0000318600000000 ] - [ 0.0015301100000000, 0.0008935700000000, -0.0001150600000000 ] - [ -0.0015016200000000, -0.0007573900000000, 0.0002652400000000 ] - [ -0.0048608900000000, 0.0019924800000000, 0.0003538700000000 ] - [ 0.0026153600000000, -0.0004301200000000, -0.0012584100000000 ] - [ 0.0015206300000000, -0.0028572000000000, -0.0014965600000000 ] - [ -0.0005786200000000, -0.0015630700000000, 0.0004457400000000 ] - [ -0.0040897000000000, -0.0000671900000000, -0.0003810400000000 ] - [ 0.0033259100000000, 0.0020798900000000, 0.0003371500000000 ] - [ 0.0019354400000000, -0.0089082300000000, -0.0022079800000000 ] - [ -0.0898202400000000, 0.2066557700000000, -0.0043115500000000 ] - [ -0.0017669200000000, -0.0018593900000000, 0.0014807200000000 ] - [ 0.0016886800000000, 0.0011433700000000, -0.0000140100000000 ] - [ -0.0017776100000000, -0.0017314000000000, -0.0004840600000000 ] - [ -0.0000744800000000, -0.0015691600000000, 0.0003424400000000 ] - [ 0.0035611900000000, 0.0019277900000000, -0.0012389000000000 ] - [ -0.0015859700000000, -0.0008333900000000, 0.0008894600000000 ] - [ -0.0001419700000000, -0.0009344800000000, -0.0004690900000000 ] - [ 0.0007098500000000, 0.0007407700000000, -0.0004803700000000 ] - [ -0.1109494100000000, 0.0297310300000000, 0.0010160100000000 ] - [ -0.0009358300000000, -0.0007541700000000, -0.0000600400000000 ] - [ 0.0038508700000000, -0.0029398500000000, 0.0002584600000000 ] - [ -0.0041852900000000, 0.0042954800000000, 0.0005596400000000 ] - [ -0.0009253100000000, -0.0006158100000000, 0.0001809400000000 ] - [ 0.0007702800000000, -0.0001523300000000, -0.0002286200000000 ] - [ -0.0005038100000000, 0.0004918800000000, -0.0007765000000000 ] - [ 0.0015443600000000, -0.0007040100000000, -0.0008085000000000 ] - [ -0.0003090100000000, 0.0010441600000000, -0.0000319300000000 ] - [ -0.0010188600000000, -0.0007536400000000, -0.0004796400000000 ] - [ -0.0009971400000000, 0.0019786700000000, 0.0005590700000000 ] - [ 0.0003805800000000, 0.0001168700000000, -0.0003332700000000 ] - [ 0.0017776100000000, -0.0014340000000000, 0.0004922400000000 ] - [ 0.0006323800000000, -0.0005387600000000, -0.0010689800000000 ] - [ 0.0013319800000000, 0.0001805700000000, -0.0002911900000000 ] - [ 0.0008837200000000, -0.0011656500000000, 0.0001007500000000 ] - [ -0.0026825200000000, -0.0047770900000000, 0.0019184600000000 ] - [ -0.0014995100000000, -0.0029541700000000, -0.0008526100000000 ] - [ 0.0014365900000000, 0.0009982300000000, 0.0007611600000000 ] - [ -0.0016670500000000, 0.0034490600000000, 0.0001984600000000 ] - [ -0.0014018900000000, -0.0001589000000000, -0.0001303400000000 ] - [ 0.0009552500000000, 0.0007603500000000, -0.0005350300000000 ] - [ -0.0001023800000000, 0.0000661400000000, -0.0085980600000000 ] - [ -0.0010382100000000, -0.0005304600000000, 0.0013250500000000 ] - [ -0.0006071000000000, -0.0005059100000000, -0.0000506700000000 ] - [ 0.0012102100000000, -0.0022912600000000, 0.0001255100000000 ] - [ 0.0012704200000000, 0.0011698300000000, -0.0029552100000000 ] - [ -0.0006276300000000, 0.0010526800000000, -0.0001196400000000 ] - [ 0.0059840800000000, -0.0023039400000000, 0.0026613300000000 ] - [ 0.0029178100000000, 0.0569811800000000, 0.0406749900000000 ] - [ -0.0006480000000000, -0.0034695100000000, -0.0002535700000000 ] - [ 0.0033116800000000, -0.0000522200000000, 0.0008039000000000 ] - [ 0.0016089900000000, -0.0050972900000000, 0.0020388800000000 ] - [ 0.0095042000000000, -0.0035546500000000, -0.0002500600000000 ] - [ -0.0003449600000000, 0.0013628200000000, 0.0001614100000000 ] - [ 0.0020426300000000, 0.0562094200000000, -0.0437836200000000 ] - [ -0.0001393900000000, 0.0010880300000000, 0.0001882700000000 ] - [ -0.0014008800000000, -0.0009267500000000, 0.0001853400000000 ] - [ -0.0002796200000000, -0.0009438400000000, 0.0001024600000000 ] - [ 0.0004967800000000, -0.0011057800000000, 0.0003082900000000 ] - [ 0.0010156300000000, 0.0004875500000000, -0.0001130100000000 ] - [ -0.0006184500000000, -0.0011947100000000, -0.0007542100000000 ] - [ 0.0007585400000000, -0.0013092600000000, 0.0022415800000000 ] - [ 0.0008026300000000, -0.0010041700000000, 0.0004994200000000 ] - [ 0.0026660100000000, -0.0015395000000000, -0.0012771500000000 ] - [ 0.0024279100000000, -0.0097150200000000, 0.0029441700000000 ] - [ 0.0008589600000000, -0.0003448900000000, 0.0000560600000000 ] - [ 0.0015894500000000, -0.0020985700000000, 0.0005182200000000 ] - [ 0.0014073600000000, -0.0009386700000000, -0.0004096800000000 ] - [ 0.0003433900000000, 0.0042537800000000, 0.0014362500000000 ] - [ -0.0007458700000000, -0.0006204600000000, -0.0001932800000000 ] - [ 0.0008545400000000, -0.0015923200000000, 0.0003611300000000 ] - [ 0.0013759900000000, 0.0001529000000000, -0.0007927900000000 ] - [ -0.0002420700000000, -0.0010608800000000, -0.0001169400000000 ] - [ -0.0027996600000000, 0.0007168100000000, -0.0002462500000000 ] - [ 0.0014160200000000, 0.0013495900000000, -0.0000259500000000 ] - [ 0.0064506300000000, -0.0145274000000000, -0.0003959800000000 ] - [ -0.0135023900000000, 0.0233338400000000, 0.0259694300000000 ] - [ -0.0019494000000000, -0.0022718200000000, 0.0011217000000000 ] - [ 0.0066985900000000, 0.0056720500000000, -0.0038177900000000 ] - [ 0.0010495100000000, -0.0093132100000000, 0.0056454100000000 ] - [ -0.0029618900000000, 0.0002454800000000, -0.0021325100000000 ] - [ 0.0015723700000000, -0.0001652100000000, 0.0000965600000000 ] - [ -0.0023675100000000, 0.0003811800000000, 0.0002059700000000 ] - [ -0.0003109400000000, 0.0055698700000000, 0.0045572700000000 ] - [ -0.0009727400000000, 0.0029902500000000, -0.0010840500000000 ] - [ 0.0002119700000000, 0.0017352900000000, 0.0007423200000000 ] - [ -0.0017688000000000, -0.0012035400000000, -0.0014523400000000 ] - [ -0.0021363800000000, 0.0025019700000000, -0.0008716900000000 ] - [ 0.0004539400000000, 0.0012198100000000, 0.0002269800000000 ] - [ 0.0019727200000000, -0.0001033200000000, -0.0005120700000000 ] - [ -0.0006577300000000, -0.0002048600000000, 0.0002931800000000 ] - [ -0.0022689300000000, -0.0010686700000000, 0.0019620200000000 ] - [ 0.0017937500000000, 0.0038405400000000, -0.0001738300000000 ] - [ 0.0068303900000000, 0.0037964900000000, -0.0022408100000000 ] - [ 0.2035592600000000, -0.3652531300000000, -0.0024670500000000 ] - [ -0.0115163200000000, 0.0028555400000000, -0.0030750700000000 ] - [ 0.0032779700000000, -0.0013483900000000, -0.0002724600000000 ] - [ 0.0011053500000000, 0.0010630900000000, -0.0008348200000000 ] - [ -0.0015466800000000, 0.0044736300000000, 0.0039327000000000 ] - [ -0.0015722700000000, -0.0023080300000000, -0.0003642300000000 ] - [ 0.0001205000000000, 0.0021392600000000, -0.0004330300000000 ] - [ -0.0034600200000000, 0.0004830200000000, 0.0036861200000000 ] - [ -0.0022211000000000, 0.0040297700000000, 0.0009829200000000 ] - [ -0.0040455500000000, 0.0078266600000000, 0.0005569300000000 ] - [ -0.0040132200000000, 0.0001280000000000, -0.0006782900000000 ] - [ 0.0003907600000000, 0.0107797500000000, -0.0096064400000000 ] - [ -0.0019126300000000, 0.0009627200000000, 0.0004553300000000 ] - [ 0.0020625900000000, 0.0013742700000000, 0.0001906800000000 ] - [ 0.0012936000000000, -0.0060006400000000, 0.0004249700000000 ]- atom: 112 displacement: [ 0.0049999999943570, -0.0086602540411024, 0.0000000000000000 ] forces: - [ -0.0001905300000000, -0.0009079500000000, 0.0003961500000000 ] - [ -0.0007812600000000, -0.0010616900000000, -0.0000038000000000 ] - [ -0.0022943800000000, -0.0011403000000000, -0.0010024800000000 ] - [ 0.0007062900000000, 0.0004424600000000, 0.0002959100000000 ] - [ 0.0092487000000000, -0.0020626600000000, 0.0002275500000000 ] - [ 0.0010444900000000, -0.0019698700000000, -0.0001661900000000 ] - [ 0.0005601600000000, -0.0001517500000000, -0.0000665100000000 ] - [ 0.0045323100000000, -0.0098272400000000, 0.0115206000000000 ] - [ 0.0009630400000000, 0.0007867000000000, 0.0005140400000000 ] - [ -0.0026144800000000, -0.0025267700000000, -0.0019154200000000 ] - [ -0.0006356100000000, -0.0005739000000000, -0.0000435800000000 ] - [ -0.0005713400000000, 0.0020191400000000, 0.0000622800000000 ] - [ -0.0008716600000000, 0.0053043100000000, 0.0010544500000000 ] - [ 0.0007110800000000, 0.0001333400000000, -0.0000791400000000 ] - [ -0.0001256300000000, -0.0012816500000000, 0.0001470800000000 ] - [ 0.0003419000000000, -0.0008979900000000, -0.0004009400000000 ] - [ 0.0016964100000000, -0.0001319200000000, -0.0013899600000000 ] - [ -0.0006499900000000, 0.0001777500000000, -0.0000117500000000 ] - [ -0.0014669900000000, -0.0008916500000000, 0.0002018000000000 ] - [ 0.0014448600000000, 0.0008102700000000, -0.0001881100000000 ] - [ 0.0048448300000000, -0.0020695500000000, -0.0002629900000000 ] - [ -0.0027192900000000, 0.0000005900000000, 0.0009018600000000 ] - [ -0.0010693500000000, 0.0029632400000000, 0.0011318900000000 ] - [ 0.0002497200000000, 0.0018813100000000, -0.0007951100000000 ] - [ 0.0041816000000000, -0.0002063200000000, 0.0009474700000000 ] - [ -0.0036175600000000, -0.0019915000000000, 0.0002342700000000 ] - [ -0.0016879200000000, 0.0085245200000000, 0.0019691200000000 ] - [ 0.0952626800000000, -0.2202598800000000, 0.0049062600000000 ] - [ 0.0013247500000000, 0.0018776800000000, -0.0016847100000000 ] - [ -0.0014939400000000, -0.0007439300000000, -0.0002149500000000 ] - [ 0.0021372200000000, 0.0012881400000000, 0.0004112400000000 ] - [ -0.0004994000000000, 0.0014878400000000, -0.0004181000000000 ] - [ -0.0033919000000000, -0.0014076500000000, 0.0011809300000000 ] - [ 0.0014176300000000, 0.0004274400000000, -0.0009027700000000 ] - [ -0.0001071100000000, 0.0012256700000000, 0.0004412600000000 ] - [ -0.0003511300000000, -0.0006774500000000, 0.0004541100000000 ] - [ 0.1090919500000000, -0.0306237500000000, -0.0012633400000000 ] - [ 0.0012051300000000, 0.0007485200000000, -0.0002062600000000 ] - [ -0.0039748200000000, 0.0026440100000000, -0.0005235700000000 ] - [ 0.0040968000000000, -0.0041966500000000, -0.0004967100000000 ] - [ 0.0010782100000000, 0.0006382400000000, -0.0001024900000000 ] - [ -0.0008074400000000, 0.0000405400000000, 0.0003170100000000 ] - [ 0.0005532300000000, -0.0004615200000000, 0.0008584300000000 ] - [ -0.0015680800000000, 0.0007308300000000, 0.0008643400000000 ] - [ 0.0003037600000000, -0.0010941100000000, 0.0000906500000000 ] - [ 0.0009205800000000, 0.0003084800000000, 0.0001437400000000 ] - [ 0.0014384500000000, -0.0018452400000000, -0.0009051500000000 ] - [ -0.0007304300000000, 0.0001784000000000, -0.0000037300000000 ] - [ -0.0017036300000000, 0.0011453300000000, 0.0000899800000000 ] - [ -0.0009061700000000, 0.0006489700000000, 0.0016434200000000 ] - [ -0.0010855100000000, -0.0005362200000000, 0.0000362200000000 ] - [ -0.0006596400000000, 0.0013529100000000, 0.0004804400000000 ] - [ 0.0023070900000000, 0.0047917800000000, -0.0021680500000000 ] - [ 0.0016572100000000, 0.0033297300000000, 0.0005852100000000 ] - [ -0.0011069900000000, -0.0014700000000000, -0.0008201100000000 ] - [ 0.0010891100000000, -0.0034941700000000, -0.0002818200000000 ] - [ 0.0016477900000000, 0.0006906300000000, 0.0000847400000000 ] - [ -0.0011262800000000, -0.0011686100000000, 0.0005934900000000 ] - [ -0.0001492400000000, 0.0002403300000000, 0.0086831400000000 ] - [ 0.0014157700000000, 0.0006147300000000, -0.0012986700000000 ] - [ 0.0004962600000000, 0.0007416100000000, -0.0001771100000000 ] - [ -0.0009427100000000, 0.0022602600000000, -0.0003581200000000 ] - [ -0.0014390400000000, -0.0014338200000000, 0.0027370400000000 ] - [ 0.0005256200000000, -0.0009503000000000, 0.0001917100000000 ] - [ -0.0058523700000000, 0.0023593000000000, -0.0025930400000000 ] - [ -0.0025603400000000, -0.0575285200000000, -0.0403986500000000 ] - [ 0.0007015600000000, 0.0034767400000000, 0.0003923000000000 ] - [ -0.0033300900000000, 0.0000950200000000, -0.0006712500000000 ] - [ -0.0016176700000000, 0.0050078900000000, -0.0018737700000000 ] - [ -0.0095944700000000, 0.0031196600000000, -0.0001051900000000 ] - [ 0.0007858300000000, -0.0012288200000000, -0.0005158200000000 ] - [ -0.0020395800000000, -0.0564379600000000, 0.0433673400000000 ] - [ 0.0001815200000000, -0.0013733600000000, 0.0003487200000000 ] - [ 0.0011291100000000, 0.0010238600000000, 0.0003614800000000 ] - [ 0.0005135900000000, 0.0006082400000000, -0.0003049900000000 ] - [ -0.0002732300000000, 0.0012764700000000, 0.0002302800000000 ] - [ -0.0014091600000000, -0.0004764700000000, -0.0000875000000000 ] - [ 0.0008003200000000, 0.0015838200000000, 0.0005527300000000 ] - [ -0.0004156000000000, 0.0008665500000000, -0.0022056300000000 ] - [ -0.0013700200000000, 0.0009506600000000, -0.0005080700000000 ] - [ -0.0024289000000000, 0.0020550100000000, 0.0012740400000000 ] - [ -0.0025509300000000, 0.0091655100000000, -0.0028565200000000 ] - [ -0.0010904600000000, 0.0006331500000000, -0.0000408800000000 ] - [ -0.0012271700000000, 0.0021540300000000, -0.0005062000000000 ] - [ -0.0015360500000000, 0.0011662000000000, 0.0001466400000000 ] - [ -0.0000872200000000, -0.0042634900000000, -0.0017203500000000 ] - [ 0.0006130000000000, 0.0003266900000000, -0.0000747600000000 ] - [ -0.0009586500000000, 0.0016997300000000, -0.0002427400000000 ] - [ -0.0012220100000000, -0.0001043900000000, 0.0009104400000000 ] - [ 0.0002262000000000, 0.0009498000000000, 0.0002446400000000 ] - [ 0.0024810000000000, -0.0004850100000000, 0.0003362600000000 ] - [ -0.0014659600000000, -0.0017514600000000, 0.0001097300000000 ] - [ -0.0060637300000000, 0.0147531600000000, 0.0004836400000000 ] - [ 0.0133934700000000, -0.0233916600000000, -0.0260072200000000 ] - [ 0.0019031400000000, 0.0020515400000000, -0.0010664700000000 ] - [ -0.0064202600000000, -0.0056672400000000, 0.0038670900000000 ] - [ -0.0013548400000000, 0.0095113000000000, -0.0056685300000000 ] - [ 0.0029406200000000, -0.0006067200000000, 0.0022039900000000 ] - [ -0.0012680200000000, 0.0003335400000000, -0.0000362900000000 ] - [ 0.0020944200000000, -0.0002188600000000, -0.0001335800000000 ] - [ 0.0003141700000000, -0.0058352900000000, -0.0044060700000000 ] - [ 0.0012474600000000, -0.0028313000000000, 0.0011486300000000 ] - [ -0.0005480200000000, -0.0015535500000000, -0.0006244100000000 ] - [ 0.0017481500000000, 0.0007844700000000, 0.0015581100000000 ] - [ 0.0024503200000000, -0.0023052200000000, 0.0009756700000000 ] - [ -0.0006855700000000, -0.0010666700000000, -0.0002128500000000 ] - [ -0.0019909700000000, -0.0001738100000000, 0.0005250300000000 ] - [ 0.0009288300000000, 0.0003455400000000, -0.0002839000000000 ] - [ 0.0026659400000000, 0.0010978100000000, -0.0021999800000000 ] - [ -0.0019848800000000, -0.0035140100000000, -0.0000443900000000 ] - [ -0.0070164000000000, -0.0041334900000000, 0.0020087400000000 ] - [ -0.2083241500000000, 0.3812266600000000, 0.0025594600000000 ] - [ 0.0119645600000000, -0.0030386700000000, 0.0032752000000000 ] - [ -0.0033580700000000, 0.0018461700000000, 0.0004782000000000 ] - [ -0.0007040700000000, -0.0010759000000000, 0.0006153900000000 ] - [ 0.0013333800000000, -0.0041898700000000, -0.0041671300000000 ] - [ 0.0014053400000000, 0.0019721900000000, 0.0001355700000000 ] - [ -0.0005296600000000, -0.0023855200000000, 0.0006842200000000 ] - [ 0.0038588300000000, -0.0007393800000000, -0.0034086700000000 ] - [ 0.0021959600000000, -0.0035431900000000, -0.0007112700000000 ] - [ 0.0044170600000000, -0.0077941900000000, -0.0007179000000000 ] - [ 0.0037752300000000, 0.0001773700000000, 0.0005183800000000 ] - [ -0.0004989900000000, -0.0110238300000000, 0.0092550800000000 ] - [ 0.0015248100000000, -0.0012024000000000, -0.0002514500000000 ] - [ -0.0016649500000000, -0.0015740300000000, 0.0000243300000000 ] - [ -0.0013065300000000, 0.0064965100000000, -0.0001920400000000 ]- atom: 112 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002339700000000, -0.0000440400000000, 0.0000512600000000 ] - [ -0.0007216400000000, -0.0012572300000000, -0.0003640600000000 ] - [ -0.0003044700000000, 0.0001985600000000, -0.0003073000000000 ] - [ 0.0002488800000000, 0.0000126800000000, -0.0004335000000000 ] - [ 0.0002309400000000, 0.0004808200000000, -0.0017423900000000 ] - [ 0.0001494400000000, -0.0002263200000000, -0.0003861600000000 ] - [ -0.0000181000000000, 0.0001388800000000, 0.0001206200000000 ] - [ 0.0017033600000000, -0.0056455500000000, -0.0013570900000000 ] - [ 0.0000787600000000, -0.0000238100000000, -0.0001110200000000 ] - [ 0.0072160400000000, 0.0095742800000000, -0.0001325200000000 ] - [ -0.0000113000000000, -0.0000052400000000, 0.0001733500000000 ] - [ -0.0011258800000000, -0.0017293200000000, 0.0007481600000000 ] - [ 0.0005671900000000, 0.0019788300000000, 0.0175879200000000 ] - [ -0.0005435300000000, 0.0000770700000000, 0.0001049600000000 ] - [ 0.0001503500000000, 0.0001713300000000, 0.0018429500000000 ] - [ 0.0002148400000000, -0.0001433300000000, -0.0000030200000000 ] - [ -0.0000373400000000, 0.0002219700000000, 0.0002448900000000 ] - [ -0.0009744500000000, -0.0001215800000000, 0.0003796600000000 ] - [ 0.0002182400000000, 0.0001663700000000, 0.0002348100000000 ] - [ -0.0008427800000000, -0.0001814500000000, 0.0003799800000000 ] - [ 0.0004771100000000, 0.0016093700000000, 0.0008471700000000 ] - [ 0.0020307400000000, -0.0005796700000000, 0.0014095700000000 ] - [ 0.0004899100000000, -0.0004988100000000, -0.0000067600000000 ] - [ -0.0000873000000000, 0.0001891200000000, -0.0000892200000000 ] - [ 0.0045646800000000, 0.0006949700000000, 0.0072722300000000 ] - [ -0.0002833100000000, -0.0002483200000000, 0.0007574700000000 ] - [ -0.0001468600000000, 0.0006654700000000, 0.0004053000000000 ] - [ -0.0002112000000000, -0.0001340200000000, 0.0419271700000000 ] - [ -0.0040883800000000, 0.0079899000000000, -0.0001923000000000 ] - [ 0.0000829800000000, 0.0001743200000000, -0.0000538500000000 ] - [ 0.0003197400000000, 0.0003547200000000, 0.0005697200000000 ] - [ -0.0002137400000000, -0.0005680400000000, 0.0010793500000000 ] - [ -0.0000202200000000, 0.0002775800000000, 0.0001617500000000 ] - [ -0.0000541400000000, 0.0000795200000000, -0.0003970200000000 ] - [ -0.0002949800000000, -0.0005320300000000, -0.0006201100000000 ] - [ 0.0009382000000000, 0.0004239100000000, -0.0000447900000000 ] - [ 0.0000351600000000, 0.0002092700000000, 0.0314981300000000 ] - [ 0.0010499800000000, 0.0006713200000000, -0.0000868400000000 ] - [ -0.0001913400000000, -0.0000231500000000, 0.0001684000000000 ] - [ -0.0011995600000000, -0.0009498300000000, 0.0010238300000000 ] - [ 0.0006445700000000, 0.0004817400000000, -0.0000212600000000 ] - [ -0.0001131600000000, -0.0000465900000000, 0.0002898600000000 ] - [ -0.0016485500000000, -0.0022448100000000, -0.0088227300000000 ] - [ -0.0007109700000000, 0.0003382100000000, -0.0021013300000000 ] - [ 0.0000540600000000, -0.0000789600000000, -0.0005331700000000 ] - [ -0.0000529700000000, -0.0000398100000000, -0.0006096500000000 ] - [ 0.0005248100000000, -0.0011501800000000, -0.0020564800000000 ] - [ -0.0002387200000000, 0.0002610800000000, -0.0004824800000000 ] - [ -0.0000048800000000, -0.0000874500000000, 0.0001960000000000 ] - [ 0.0024444600000000, -0.0023124900000000, -0.0013675600000000 ] - [ 0.0004183500000000, -0.0000492300000000, 0.0000348600000000 ] - [ 0.0004545300000000, -0.0001372300000000, 0.0002094500000000 ] - [ -0.0003495900000000, 0.0003626900000000, 0.0003112200000000 ] - [ -0.0006154800000000, -0.0037771600000000, 0.0006686100000000 ] - [ -0.0001784800000000, -0.0003723900000000, -0.0004467600000000 ] - [ -0.0025683200000000, 0.0067044800000000, -0.0082445200000000 ] - [ -0.0014929300000000, -0.0016166800000000, -0.0046043700000000 ] - [ 0.0001685200000000, -0.0002878700000000, -0.0004892200000000 ] - [ 0.0009863100000000, -0.0038599700000000, -0.0060032600000000 ] - [ 0.0011962000000000, 0.0021164200000000, -0.0079989600000000 ] - [ -0.0000582000000000, 0.0000446700000000, -0.0001038400000000 ] - [ 0.0000492800000000, 0.0000155000000000, -0.0002386800000000 ] - [ 0.0089203700000000, -0.0015430600000000, -0.0042258600000000 ] - [ 0.0002414100000000, -0.0009755500000000, 0.0014505400000000 ] - [ -0.0005228300000000, 0.0005845400000000, 0.0010422500000000 ] - [ 0.0538036200000000, 0.0807163200000000, 0.1723523600000000 ] - [ 0.0001026500000000, 0.0002589700000000, 0.0000766100000000 ] - [ -0.0007373800000000, -0.0001023100000000, 0.0005673000000000 ] - [ -0.0017326900000000, 0.0015557000000000, 0.0004052200000000 ] - [ -0.0006991700000000, -0.0005110300000000, 0.0007691400000000 ] - [ 0.0013315300000000, 0.0001294500000000, 0.0003148100000000 ] - [ -0.0520349400000000, -0.0745567900000000, 0.1780897900000000 ] - [ -0.0018215900000000, -0.0007831800000000, -0.0000969400000000 ] - [ 0.0001720600000000, 0.0002190100000000, 0.0000247200000000 ] - [ -0.0003341800000000, -0.0006476700000000, -0.0019730700000000 ] - [ 0.0000631800000000, 0.0006473100000000, -0.0000960000000000 ] - [ -0.0001110500000000, 0.0000782500000000, -0.0003432700000000 ] - [ 0.0004549700000000, 0.0011154800000000, -0.0020237000000000 ] - [ -0.0024598300000000, 0.0014925300000000, -0.0013057700000000 ] - [ -0.0002025000000000, 0.0000049400000000, -0.0001681500000000 ] - [ -0.0003218100000000, 0.0004495100000000, -0.0000690300000000 ] - [ -0.0019361500000000, 0.0002882800000000, 0.0060242400000000 ] - [ -0.0000052300000000, 0.0001996100000000, 0.0005545400000000 ] - [ 0.0000265700000000, 0.0001492700000000, 0.0002876200000000 ] - [ -0.0002036300000000, 0.0003319700000000, -0.0002599500000000 ] - [ -0.0055261800000000, -0.0028643800000000, -0.0039665300000000 ] - [ 0.0003764400000000, 0.0000895700000000, -0.0002961500000000 ] - [ -0.0001577400000000, 0.0000087400000000, -0.0007075100000000 ] - [ 0.0019198600000000, -0.0006993300000000, -0.0033277900000000 ] - [ 0.0000698600000000, -0.0000568000000000, -0.0001589000000000 ] - [ -0.0002377100000000, 0.0001356500000000, -0.0002801300000000 ] - [ -0.0000661700000000, -0.0009461700000000, -0.0006262200000000 ] - [ 0.0001419400000000, -0.0004496100000000, -0.0030313300000000 ] - [ -0.0026342400000000, 0.0091543100000000, -0.0012118300000000 ] - [ -0.0006042700000000, 0.0005399500000000, -0.0000707700000000 ] - [ -0.0159442300000000, -0.0230573800000000, 0.0022208200000000 ] - [ -0.0034198300000000, -0.0047875400000000, 0.0374057400000000 ] - [ 0.0007043300000000, -0.0005810800000000, 0.0001500300000000 ] - [ 0.0014180700000000, 0.0001892400000000, 0.0000447900000000 ] - [ -0.0013149800000000, 0.0002388700000000, -0.0003664000000000 ] - [ -0.0028898600000000, 0.0046348400000000, -0.0026634900000000 ] - [ 0.0002277200000000, -0.0001382300000000, -0.0001792400000000 ] - [ -0.0005091100000000, -0.0000163700000000, 0.0002372200000000 ] - [ 0.0041674100000000, -0.0009535300000000, 0.0026381700000000 ] - [ 0.0006062600000000, -0.0006298500000000, 0.0009873700000000 ] - [ -0.0000041600000000, -0.0001007800000000, 0.0009173200000000 ] - [ -0.0007098500000000, 0.0000135200000000, 0.0005721100000000 ] - [ 0.0002621600000000, -0.0001619400000000, 0.0009930800000000 ] - [ -0.0001805900000000, -0.0002158400000000, -0.0008293400000000 ] - [ 0.0011674600000000, 0.0026019600000000, -0.0008670000000000 ] - [ 0.0003877100000000, -0.0022060600000000, -0.0004194800000000 ] - [ 0.0076091200000000, -0.0022659000000000, -0.4626664700000000 ] - [ 0.0006769500000000, 0.0000754400000000, -0.0013156800000000 ] - [ -0.0032048100000000, 0.0010246100000000, -0.0013157000000000 ] - [ 0.0035293300000000, 0.0025973500000000, 0.0110122900000000 ] - [ 0.0004348500000000, -0.0012388400000000, 0.0111779600000000 ] - [ -0.0001578400000000, 0.0000097100000000, 0.0008433400000000 ] - [ -0.0004441000000000, 0.0001471000000000, 0.0001917900000000 ] - [ -0.0093559300000000, 0.0050820300000000, 0.0023376900000000 ] - [ 0.0000758500000000, 0.0004848000000000, 0.0007797300000000 ] - [ 0.0006488000000000, -0.0003103400000000, -0.0001090400000000 ] - [ 0.0003663100000000, -0.0002288000000000, -0.0001873700000000 ] - [ 0.0093409700000000, -0.0065317400000000, -0.0028349300000000 ] - [ 0.0000258600000000, -0.0006425100000000, 0.0001734600000000 ] - [ -0.0003715600000000, -0.0007539100000000, 0.0007604100000000 ] - [ 0.0035115800000000, 0.0059951600000000, 0.0023441500000000 ]- atom: 112 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002003500000000, 0.0000972500000000, 0.0002427400000000 ] - [ 0.0004531100000000, 0.0014298800000000, 0.0001417100000000 ] - [ 0.0002102100000000, -0.0005325600000000, 0.0000849300000000 ] - [ 0.0000409500000000, 0.0000465000000000, 0.0002107600000000 ] - [ -0.0001734500000000, -0.0004820500000000, 0.0020338700000000 ] - [ -0.0000794700000000, 0.0003153800000000, 0.0006853900000000 ] - [ 0.0000147000000000, -0.0000151700000000, -0.0001212200000000 ] - [ -0.0018972200000000, 0.0057563300000000, 0.0013771800000000 ] - [ -0.0001842000000000, -0.0002465100000000, 0.0001455200000000 ] - [ -0.0069668000000000, -0.0095395600000000, 0.0001839800000000 ] - [ -0.0000253700000000, -0.0000164400000000, -0.0001767100000000 ] - [ 0.0012321100000000, 0.0017391800000000, -0.0007560400000000 ] - [ -0.0005578300000000, -0.0018152500000000, -0.0178294800000000 ] - [ 0.0002989100000000, 0.0000968400000000, -0.0002838200000000 ] - [ -0.0002551100000000, -0.0004692000000000, -0.0020192600000000 ] - [ 0.0000603200000000, 0.0001671200000000, -0.0001763500000000 ] - [ 0.0000091800000000, -0.0002626700000000, -0.0002951400000000 ] - [ 0.0011003900000000, 0.0001606300000000, -0.0004225200000000 ] - [ -0.0001477700000000, -0.0001556400000000, -0.0001450300000000 ] - [ 0.0008045900000000, 0.0002356100000000, -0.0003042200000000 ] - [ -0.0005039800000000, -0.0016870700000000, -0.0007473900000000 ] - [ -0.0021311300000000, 0.0001286400000000, -0.0017358100000000 ] - [ -0.0000461900000000, 0.0006213700000000, -0.0003386600000000 ] - [ -0.0002448200000000, 0.0001264600000000, -0.0002581600000000 ] - [ -0.0045056700000000, -0.0009858400000000, -0.0067078300000000 ] - [ -0.0000004500000000, 0.0003386800000000, -0.0001882900000000 ] - [ 0.0003904700000000, -0.0010380700000000, -0.0006462500000000 ] - [ 0.0000993900000000, 0.0013191500000000, -0.0413583900000000 ] - [ 0.0036866600000000, -0.0079436300000000, -0.0000382100000000 ] - [ 0.0001119700000000, 0.0002210400000000, -0.0001768400000000 ] - [ 0.0000389400000000, -0.0007962100000000, -0.0006421000000000 ] - [ -0.0003560400000000, 0.0004990200000000, -0.0011566200000000 ] - [ 0.0001983000000000, 0.0002445000000000, -0.0002221600000000 ] - [ -0.0001132500000000, -0.0004830400000000, 0.0003912200000000 ] - [ 0.0000489200000000, 0.0008308100000000, 0.0006030700000000 ] - [ -0.0005658300000000, -0.0003565900000000, 0.0000292900000000 ] - [ 0.0008916300000000, 0.0001457900000000, -0.0317757200000000 ] - [ -0.0007813800000000, -0.0006757200000000, -0.0001807700000000 ] - [ 0.0000697500000000, -0.0002675100000000, -0.0004351800000000 ] - [ 0.0011032300000000, 0.0010764700000000, -0.0009917600000000 ] - [ -0.0004842300000000, -0.0004589800000000, 0.0000974700000000 ] - [ 0.0000808300000000, -0.0000596200000000, -0.0002036900000000 ] - [ 0.0016676200000000, 0.0022184900000000, 0.0088944400000000 ] - [ 0.0006571500000000, -0.0003004400000000, 0.0021596300000000 ] - [ -0.0000598300000000, 0.0000287400000000, 0.0005924300000000 ] - [ -0.0000403400000000, -0.0004055800000000, 0.0002746000000000 ] - [ -0.0000807600000000, 0.0013116300000000, 0.0017150300000000 ] - [ -0.0001025300000000, 0.0000448300000000, 0.0001417500000000 ] - [ 0.0000673900000000, -0.0001972700000000, 0.0003902000000000 ] - [ -0.0027291500000000, 0.0023760900000000, 0.0019719200000000 ] - [ -0.0001685400000000, -0.0003066600000000, -0.0002879900000000 ] - [ -0.0002284000000000, 0.0003202800000000, 0.0003733900000000 ] - [ -0.0000328800000000, -0.0003568800000000, -0.0005550600000000 ] - [ 0.0007975000000000, 0.0041707900000000, -0.0009223500000000 ] - [ 0.0005080500000000, -0.0000974600000000, 0.0003909400000000 ] - [ 0.0019639100000000, -0.0066898300000000, 0.0081319600000000 ] - [ 0.0017311200000000, 0.0021330300000000, 0.0045591800000000 ] - [ -0.0003401900000000, -0.0001193600000000, 0.0005426400000000 ] - [ -0.0012600900000000, 0.0042120700000000, 0.0060753500000000 ] - [ -0.0008128900000000, -0.0020435000000000, 0.0080034300000000 ] - [ -0.0000534500000000, 0.0001893700000000, -0.0001237700000000 ] - [ 0.0002163400000000, -0.0000369900000000, 0.0000110000000000 ] - [ -0.0089951900000000, 0.0012157200000000, 0.0039774900000000 ] - [ -0.0003431900000000, 0.0010772600000000, -0.0013747800000000 ] - [ 0.0006787900000000, -0.0005469900000000, -0.0009599800000000 ] - [ -0.0502523200000000, -0.0753690900000000, -0.1647580700000000 ] - [ -0.0000540000000000, -0.0002469900000000, 0.0000584200000000 ] - [ 0.0007097400000000, 0.0001310100000000, -0.0004494400000000 ] - [ 0.0017155900000000, -0.0015942200000000, -0.0002838600000000 ] - [ 0.0006200500000000, 0.0000621400000000, -0.0011304400000000 ] - [ -0.0008932500000000, 0.0000081100000000, -0.0006709500000000 ] - [ 0.0555698900000000, 0.0804709300000000, -0.1865711100000000 ] - [ 0.0018956100000000, 0.0005107600000000, 0.0006295000000000 ] - [ -0.0004385700000000, -0.0001132000000000, 0.0005189800000000 ] - [ 0.0005718900000000, 0.0002884200000000, 0.0017680400000000 ] - [ 0.0001629900000000, -0.0004710700000000, 0.0006315600000000 ] - [ -0.0002752600000000, -0.0000681300000000, 0.0001431200000000 ] - [ -0.0002749800000000, -0.0007014200000000, 0.0018218400000000 ] - [ 0.0027919700000000, -0.0019638700000000, 0.0012804400000000 ] - [ -0.0003675100000000, -0.0000560000000000, 0.0001558100000000 ] - [ 0.0005437800000000, 0.0000706100000000, 0.0000651300000000 ] - [ 0.0017550800000000, -0.0006602600000000, -0.0060132200000000 ] - [ -0.0002280700000000, 0.0000864900000000, -0.0005375100000000 ] - [ 0.0003239200000000, -0.0000909600000000, -0.0002785100000000 ] - [ 0.0000793500000000, -0.0000963500000000, -0.0000073000000000 ] - [ 0.0058856100000000, 0.0028940500000000, 0.0037367600000000 ] - [ -0.0005074600000000, -0.0003834700000000, 0.0000279900000000 ] - [ 0.0000510100000000, 0.0001006500000000, 0.0008258200000000 ] - [ -0.0017490300000000, 0.0007205600000000, 0.0034459900000000 ] - [ -0.0000871000000000, -0.0000543100000000, 0.0002885700000000 ] - [ -0.0000868600000000, 0.0000853300000000, 0.0003688300000000 ] - [ 0.0000097500000000, 0.0005445300000000, 0.0007134700000000 ] - [ 0.0002937700000000, 0.0006673000000000, 0.0031275900000000 ] - [ 0.0024807200000000, -0.0090402500000000, 0.0013374300000000 ] - [ 0.0005556600000000, -0.0007657900000000, 0.0001322100000000 ] - [ 0.0161931300000000, 0.0231623900000000, -0.0022044400000000 ] - [ 0.0031304000000000, 0.0049981000000000, -0.0370019200000000 ] - [ -0.0007182100000000, 0.0002113100000000, -0.0001015100000000 ] - [ -0.0011091800000000, -0.0000198500000000, 0.0000140100000000 ] - [ 0.0010411300000000, -0.0000744800000000, 0.0004352300000000 ] - [ 0.0028970800000000, -0.0049490000000000, 0.0027124800000000 ] - [ 0.0000546800000000, 0.0002971700000000, 0.0002413400000000 ] - [ 0.0001753100000000, 0.0001969700000000, -0.0001180300000000 ] - [ -0.0042064700000000, 0.0006033200000000, -0.0025113500000000 ] - [ -0.0002806000000000, 0.0008083300000000, -0.0008653500000000 ] - [ -0.0002332500000000, 0.0002583300000000, -0.0009055100000000 ] - [ 0.0006879300000000, -0.0003107300000000, -0.0005623800000000 ] - [ -0.0000077600000000, 0.0002975000000000, -0.0009907200000000 ] - [ 0.0005589500000000, 0.0002376400000000, 0.0005829300000000 ] - [ -0.0013814100000000, -0.0023003000000000, 0.0006404500000000 ] - [ -0.0005666200000000, 0.0018805600000000, 0.0001795800000000 ] - [ -0.0164053900000000, -0.0103334300000000, 0.4633346900000000 ] - [ -0.0002597000000000, -0.0002516500000000, 0.0015192100000000 ] - [ 0.0031457200000000, -0.0005347000000000, 0.0015191600000000 ] - [ -0.0030993500000000, -0.0025377200000000, -0.0112279600000000 ] - [ -0.0006165300000000, 0.0014817000000000, -0.0113896900000000 ] - [ -0.0000115700000000, -0.0003509100000000, -0.0010719700000000 ] - [ 0.0000365300000000, -0.0003910700000000, 0.0000552300000000 ] - [ 0.0096904600000000, -0.0052011300000000, -0.0021006800000000 ] - [ -0.0000902100000000, -0.0000116200000000, -0.0005242400000000 ] - [ -0.0002559600000000, 0.0003405800000000, -0.0000463300000000 ] - [ -0.0005947100000000, 0.0005350100000000, 0.0000298500000000 ] - [ -0.0094945700000000, 0.0061773200000000, 0.0027077300000000 ] - [ -0.0004247000000000, 0.0003873300000000, 0.0000366300000000 ] - [ 0.0007602500000000, 0.0005476200000000, -0.0005439200000000 ] - [ -0.0035825500000000, -0.0056267700000000, -0.0020945300000000 ]